474	474	562	0:SP3_SP3_SP3	C[5,5,6]	C[5,5,6]	Si[5]	4:4:4:1:	4:4:4:1:	4:2:4:4:	C[5,5,6]-4:C[5,5,6]-4:Si[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:O[5]-2:C-4:C-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]Si[5]H)(Si[5]O[5]CC)(H)	C[5,5,6](C[5,5,6]C[5,5,6]Si[5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	Si[5](C[5,5,6]C[5,5,6]2H)(O[5]Si[5])(CH3)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]Si[5]H)(Si[5]O[5]CC)(H){1|C<3>,3|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]Si[5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){1|Si<4>,1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	Si[5](C[5,5,6]C[5,5,6]2H)(O[5]Si[5])(CH3)2{2|H<1>,5|C<4>}	116.6010	0.313	2	116.6010	0.098	2	116.6010	0.098	2	116.6010	0.098	2	116.6010	0.098	2	116.7779	19.868	8
474	474	562	0:SP3_SP3_SP3	C[5,5]	C[5]	Si[5]	4:4:2:4:	4:4:1:1:	3:4:4:4:	Si[5]-4:Si[5]-4:Si[5]-2:C[5]-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C-4:C-4:	C[5,5](Si[5]C[5,6a]CC)2(Si[5]C[5,5])(C[5]C[5]HH)	C[5](C[5,5]Si[5]3)(C[5]C[5,5]HH)(H)2	Si[5](C[5,6a]C[5,6a]C[6a])(C[5,5]Si[5]2C[5])(CH3)2	C[5,5](Si[5]C[5,6a]CC)2(Si[5]C[5,5])(C[5]C[5]HH){2|Si<4>,2|C<3>,2|H<1>}	C[5](C[5,5]Si[5]3)(C[5]C[5,5]HH)(H)2{2|Si<4>,2|C<3>,4|C<4>}	Si[5](C[5,6a]C[5,6a]C[6a])(C[5,5]Si[5]2C[5])(CH3)2{2|C<3>,3|H<1>,4|C<4>}	114.9702	1.616	4	114.9702	2.613	4	114.9702	2.613	4	114.9702	2.613	4	114.9702	2.613	4	116.7779	19.868	8
474	474	562	0:SP3_SP3_SP3	C[5,6,6]	C[5,5,6]	Si[5,6]	4:3:4:1:	4:4:3:1:	4:4:4:2:	C[5,5,6]-4:C[5,6,6]-3:Si[5,6]-4:H-1:	C[5,6,6]-4:Si[3x5]-4:C[5,6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[5]-4:O[6]-2:	C[5,6,6](C[5,5,6]Si[3x5]C[5,6]H)(C[5,6,6]C[5,5,6]C[5,6])(Si[5,6]C[5]2O[6])(H)	C[5,5,6](C[5,6,6]C[5,6,6]Si[5,6]H)(Si[3x5]C[5,5,6]C[5]2)(C[5,6]C[5,6]H)(H)	Si[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]Si2)2(O[6]C[5,6])	C[5,6,6](C[5,5,6]Si[3x5]C[5,6]H)(C[5,6,6]C[5,5,6]C[5,6])(Si[5,6]C[5]2O[6])(H){4|Si<4>,2|H<1>,3|C<3>,4|C<4>}	C[5,5,6](C[5,6,6]C[5,6,6]Si[5,6]H)(Si[3x5]C[5,5,6]C[5]2)(C[5,6]C[5,6]H)(H){4|Si<4>,1|C<3>,1|O<2>,2|H<1>,4|C<4>}	Si[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]Si2)2(O[6]C[5,6]){1|Si<4>,1|C<4>,3|C<3>,5|H<1>}	127.2500	0.000	1	127.2500	0.000	1	127.2500	0.000	1	127.2500	0.000	1	127.2500	0.000	1	116.7779	19.868	8
474	474	562	0:SP3_SP3_SP3	C[5]	C[5]	Si[5]	4:4:3:1:	4:4:3:1:	3:4:4:4:	Si[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:C[5]-4:	C[5](Si[5]C[6a]C[5]2)(C[5]C[5]CH)(C[5]C[5]H)(H)	C[5](C[5]Si[5]C[5]H)(C[5]C[5]CH)(CNO)(H)	Si[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]HH)2	C[5](Si[5]C[6a]C[5]2)(C[5]C[5]CH)(C[5]C[5]H)(H){2|C<3>,3|C<4>,6|H<1>}	C[5](C[5]Si[5]C[5]H)(C[5]C[5]CH)(CNO)(H){1|C<3>,2|C<4>,2|H<1>}	Si[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]HH)2{1|C<4>,4|C<3>,8|H<1>}	113.8900	0.000	1	113.8900	0.000	1	113.8900	0.000	1	113.8900	0.000	1	113.8900	0.000	1	116.7779	19.868	8
474	474	562	5:SP3_SP3_SP3	C[5,5,6,6]	C[5,5,6,6]	Si[5]	3:3:4:4:	3:3:4:4:	4:3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:Si[5]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:C[5]-4:	C[5,5,6,6]-4:C[6a]-3:C[6a]-3:C[5]-4:	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2C[5])(Si[5]C[6a]2C[5])	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2Si[5])(C[5]C[6a]C[5]H)	Si[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[6a]C[6a]2)2(C[5]C[5]HH)	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2C[5])(Si[5]C[6a]2C[5]){13|C<3>,3|H<1>}	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2Si[5])(C[5]C[6a]C[5]H){12|C<3>,2|H<1>}	Si[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[6a]C[6a]2)2(C[5]C[5]HH){11|C<3>,1|H<1>,4|C<4>}	104.3020	0.000	1	104.3020	0.000	1	104.3020	0.000	1	104.3020	0.000	1	104.3020	0.000	1	102.8624	16.103	102
474	474	562	5:SP3_SP3_SP3	C[5,5,6]	C[5,5,6]	Si[5]	4:4:4:1:	4:4:4:1:	4:2:4:4:	C[5,5,6]-4:C[5,5,6]-4:Si[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:Si[5]-4:H-1:	C[5,5,6]-4:O[5]-2:C-4:C-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]Si[5]H)(Si[5]O[5]CC)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]Si[5]H)(Si[5]O[5]CC)(H)	Si[5](C[5,5,6]C[5,5,6]2H)(O[5]Si[5])(CH3)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]Si[5]H)(Si[5]O[5]CC)(H){1|C<3>,3|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]Si[5]H)(Si[5]O[5]CC)(H){1|C<3>,3|C<4>,4|H<1>}	Si[5](C[5,5,6]C[5,5,6]2H)(O[5]Si[5])(CH3)2{2|H<1>,5|C<4>}	109.3065	0.110	2	109.3065	0.012	2	109.3065	0.012	2	109.3065	0.012	2	109.3065	0.012	2	102.8624	16.103	102
474	474	562	5:SP3_SP3_SP3	C[5,5,6]	C[5,6,6]	Si[3x5]	4:4:3:1:	4:3:4:1:	4:4:4:4:	C[5,6,6]-4:Si[3x5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-3:Si[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:C[5]-4:	C[5,5,6](C[5,6,6]C[5,6,6]Si[5,6]H)(Si[3x5]C[5,5,6]C[5]2)(C[5,6]C[5,6]H)(H)	C[5,6,6](C[5,5,6]Si[3x5]C[5,6]H)(C[5,6,6]C[5,5,6]C[5,6])(Si[5,6]C[5]2O[6])(H)	Si[3x5](C[5,5,6]C[5,6,6]C[5,6]H)2(C[5]C[5]Si2)2	C[5,5,6](C[5,6,6]C[5,6,6]Si[5,6]H)(Si[3x5]C[5,5,6]C[5]2)(C[5,6]C[5,6]H)(H){4|Si<4>,1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6,6](C[5,5,6]Si[3x5]C[5,6]H)(C[5,6,6]C[5,5,6]C[5,6])(Si[5,6]C[5]2O[6])(H){4|Si<4>,2|H<1>,3|C<3>,4|C<4>}	Si[3x5](C[5,5,6]C[5,6,6]C[5,6]H)2(C[5]C[5]Si2)2{1|Si<4>,1|C<3>,7|H<1>}	104.1170	0.000	1	104.1170	0.000	1	104.1170	0.000	1	104.1170	0.000	1	104.1170	0.000	1	102.8624	16.103	102
474	474	562	5:SP3_SP3_SP3	C[5,5]	C[5]	Si[5,5]	4:4:3:4:	4:4:1:1:	4:4:3:4:	Si[5,5]-4:C[5]-4:C[5]-3:Si-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:N[5]-3:Si-4:	C[5,5](Si[5,5]C[5]N[5]Si)(C[5]C[5]HH)(C[5]N[5]Si)(SiC3)	C[5](C[5,5]Si[5,5]C[5]Si)(C[5]C[5]HH)(H)2	Si[5,5](C[5,5]C[5]2Si)(C[5]C[5]Si2)(N[5]N[5]H)(SiC3)	C[5,5](Si[5,5]C[5]N[5]Si)(C[5]C[5]HH)(C[5]N[5]Si)(SiC3){2|Si<4>,3|H<1>}	C[5](C[5,5]Si[5,5]C[5]Si)(C[5]C[5]HH)(H)2{4|Si<4>,1|N<2>,1|N<3>}	Si[5,5](C[5,5]C[5]2Si)(C[5]C[5]Si2)(N[5]N[5]H)(SiC3){1|Si<4>,4|H<1>}	103.0130	0.000	1	103.0130	0.000	1	103.0130	0.000	1	103.0130	0.000	1	103.0130	0.000	1	102.8624	16.103	102
474	474	562	5:SP3_SP3_SP3	C[5,6,6]	C[5,6]	Si[5,6]	4:4:3:4:	4:4:3:1:	4:2:2:2:	C[5,6]-4:Si[5,6]-4:C[6,6]-3:C-4:	C[5,6,6]-4:Si[5]-4:C[6]-3: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[5,6](C[5,6,6]Si[5,6]C[6,6]C)(Si[5]O[5]CC)(C[6]C[6]H)(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[5,6](C[5,6,6]Si[5,6]C[6,6]C)(Si[5]O[5]CC)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	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>}	103.9900	0.000	1	103.9900	0.000	1	103.9900	0.000	1	103.9900	0.000	1	103.9900	0.000	1	102.8624	16.103	102
474	474	562	5:SP3_SP3_SP3	C[5,6]	C[5,6,6]	Si[5]	4:4:3:1:	4:4:3:4:	4:2:4:4:	C[5,6,6]-4:Si[5]-4:C[6]-3:H-1:	C[5,6]-4:Si[5,6]-4:C[6,6]-3:C-4:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5,6](C[5,6,6]Si[5,6]C[6,6]C)(Si[5]O[5]CC)(C[6]C[6]H)(H)	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)	Si[5](C[5,6]C[5,6,6]C[6]H)(O[5]Si[5,6])(CH3)2	C[5,6](C[5,6,6]Si[5,6]C[6,6]C)(Si[5]O[5]CC)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,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){1|H<1>,3|C<3>,3|C<4>}	Si[5](C[5,6]C[5,6,6]C[6]H)(O[5]Si[5,6])(CH3)2{1|C<4>,1|H<1>,2|C<3>,2|N<2>}	108.3420	0.000	1	108.3420	0.000	1	108.3420	0.000	1	108.3420	0.000	1	108.3420	0.000	1	102.8624	16.103	102
474	474	562	5:SP3_SP3_SP3	C[5]	C[5,6]	Si[5]	4:4:1:1:	3:4:3:3:	3:4:4:4:	C[5,6]-4:Si[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6a]-3:C[6]-3:	C[5]-3:C[5]-4:Si-4:Si-4:	C[5](C[5,6]C[5,6]C[6a]C[6])(Si[5]C[5]Si2)(H)2	C[5,6](C[5,6]C[6,6a]C[5])(C[5]Si[5]HH)(C[6a]C[6a]2)(C[6]N[6]O)	Si[5](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(SiC3)2	C[5](C[5,6]C[5,6]C[6a]C[6])(Si[5]C[5]Si2)(H)2{1|N<3>,1|O<1>,4|C<3>}	C[5,6](C[5,6]C[6,6a]C[5])(C[5]Si[5]HH)(C[6a]C[6a]2)(C[6]N[6]O){2|Si<4>,1|C<4>,2|H<1>,5|C<3>}	Si[5](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(SiC3)2{5|C<3>}	105.9710	0.000	1	105.9710	0.000	1	105.9710	0.000	1	105.9710	0.000	1	102.9770	6.790	3	102.8624	16.103	102
474	474	562	5:SP3_SP3_SP3	C[5]	C[5,6]	Si[5]	4:4:4:1:	3:4:4:1:	4:2:4:4:	C[5,6]-4:Si[5]-4:C-4:H-1:	C[5,6]-3:C[5]-4:C[6]-4: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[5,6](C[5,6]C[6]O[5])(C[5]Si[5]CH)(C[6]C[6]CH)(H)	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[5,6](C[5,6]C[6]O[5])(C[5]Si[5]CH)(C[6]C[6]CH)(H){1|H<1>,2|C<3>,3|C<4>}	Si[5](C[5]C[5,6]CH)(O[5]C[5,6])(CC3)2{1|C<3>,1|C<4>,1|H<1>}	101.7380	0.000	1	101.4800	0.133	2	101.4800	0.133	2	101.4800	0.133	2	102.9770	6.790	3	102.8624	16.103	102
474	474	562	5:SP3_SP3_SP3	C[5]	C[5,6]	Si[5]	4:4:4:1:	3:4:4:1:	4:2:4:4:	C[5,6]-4:Si[5]-4:C-4:H-1:	C[5,6]-3:C[5]-4:C[6]-4: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[5,6](C[5,6]C[6]O[5])(C[5]Si[5]CH)(C[6]C[6]CH)(H)	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[5,6](C[5,6]C[6]O[5])(C[5]Si[5]CH)(C[6]C[6]CH)(H){1|H<1>,2|C<3>,3|C<4>}	Si[5](C[5]C[5,6]CH)(O[5]C[5,6])(CC3)2{1|C<3>,1|C<4>,1|H<1>}	101.2220	0.000	1	101.4800	0.133	2	101.4800	0.133	2	101.4800	0.133	2	102.9770	6.790	3	102.8624	16.103	102
474	474	562	5:SP3_SP3_SP3	C[5]	C[5]	Si[3x5]	4:4:4:4:	4:4:1:1:	4:4:4:4:	Si[3x5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:C[5]-4:	C[5](Si[3x5]C[5,5,6]2C[5])(C[5]C[5]HH)(SiC3)2	C[5](C[5]Si[3x5]Si2)(C[5]C[5]HH)(H)2	Si[3x5](C[5,5,6]C[5,6,6]C[5,6]H)2(C[5]C[5]Si2)2	C[5](Si[3x5]C[5,5,6]2C[5])(C[5]C[5]HH)(SiC3)2{2|Si<4>,1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]Si[3x5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,2|C<4>}	Si[3x5](C[5,5,6]C[5,6,6]C[5,6]H)2(C[5]C[5]Si2)2{1|Si<4>,1|C<3>,7|H<1>}	100.6192	0.961	2	100.6192	0.924	2	100.6192	0.924	2	100.6192	0.924	2	100.6192	0.924	2	102.8624	16.103	102
474	474	562	5:SP3_SP3_SP3	C[5]	C[5]	Si[5,5]	4:4:1:1:	4:4:1:1:	3:3:4:4:	Si[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-3:C[5]-4:C[5]-4:	C[5](Si[5,5]C[5]3)(C[5]C[5]HH)(H)2	C[5](C[5]Si[5,5]HH)(C[5]C[5]HH)(H)2	Si[5,5](C[5]C[6a]C[5])2(C[5]C[5]HH)2	C[5](Si[5,5]C[5]3)(C[5]C[5]HH)(H)2{4|C<3>,4|H<1>}	C[5](C[5]Si[5,5]HH)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	Si[5,5](C[5]C[6a]C[5])2(C[5]C[5]HH)2{2|N<2>,4|C<3>,4|H<1>}	103.9590	0.000	1	103.9590	0.000	1	103.9590	0.000	1	103.9590	0.000	1	100.0096	2.995	13	102.8624	16.103	102
474	474	562	5:SP3_SP3_SP3	C[5]	C[5]	Si[5,5]	4:4:4:4:	4:4:1:1:	3:4:4:2:	Si[5,5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:O[5]-2:	C[5](Si[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH)(SiC3)2	C[5](C[5]Si[5,5]Si2)(C[5]C[5]HH)(H)2	Si[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Si2)2(O[5]C[5])	C[5](Si[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH)(SiC3)2{2|Si<4>,1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]Si[5,5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|C<3>,1|O<2>}	Si[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Si2)2(O[5]C[5]){3|C<3>,6|H<1>}	101.0580	0.679	2	101.0580	0.461	2	101.0580	0.461	2	100.1693	1.948	4	100.0096	2.995	13	102.8624	16.103	102
474	474	562	5:SP3_SP3_SP3	C[5]	C[5]	Si[5,5]	4:4:4:4:	4:4:1:1:	3:4:4:2:	Si[5,5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C[5]-4:N[5]-2:	C[5](Si[5,5]C[5]2N[5])(C[5]C[5]HH)(SiC3)2	C[5](C[5]Si[5,5]Si2)(C[5]C[5]HH)(H)2	Si[5,5](C[5]C[6a]N[5])(C[5]C[5]Si2)2(N[5]C[5])	C[5](Si[5,5]C[5]2N[5])(C[5]C[5]HH)(SiC3)2{2|Si<4>,1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]Si[5,5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|C<3>,1|N<2>}	Si[5,5](C[5]C[6a]N[5])(C[5]C[5]Si2)2(N[5]C[5]){3|C<3>,4|H<1>}	99.2806	1.491	2	99.2806	2.223	2	99.2806	2.223	2	100.1693	1.948	4	100.0096	2.995	13	102.8624	16.103	102
474	474	562	5:SP3_SP3_SP3	C[5]	C[5]	Si[5,5]	4:4:4:4:	4:4:1:1:	4:4:2:2:	Si[5,5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:S[5]-2:S[5]-2:	C[5](Si[5,5]C[5]S[5]2)(C[5]C[5]HH)(SiC3)2	C[5](C[5]Si[5,5]Si2)(C[5]C[5]HH)(H)2	Si[5,5](C[5]C[5]Si2)2(S[5]S[5])2	C[5](Si[5,5]C[5]S[5]2)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>,2|S<2>}	C[5](C[5]Si[5,5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,2|S<2>}	Si[5,5](C[5]C[5]Si2)2(S[5]S[5])2{4|H<1>}	99.0498	0.187	4	99.0498	0.035	4	99.0498	0.035	4	99.0498	0.035	4	100.0096	2.995	13	102.8624	16.103	102
474	474	562	5:SP3_SP3_SP3	C[5]	C[5]	Si[5,5]	4:4:4:4:	4:4:1:1:	4:4:3:4:	Si[5,5]-4:C[5]-4:C-4:C-4:	C[5,6]-4:C[5]-4: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[5](C[5,6]C[5]C[6]2)(C[5]Si[5,5]CC)(H)2	Si[5,5](Si[5]C[5,6a]C[5]H)(C[5]C[5,6a]CC)(C[5]C[5,6]N)(C[5]C[5]CC)	C[5](Si[5,5]Si[5]C[5]2)(C[5]C[5,6]HH)(CH3)2{1|H<1>,1|N<2>,3|C<3>,4|C<4>}	C[5](C[5,6]C[5]C[6]2)(C[5]Si[5,5]CC)(H)2{1|Si<4>,1|N<2>,3|C<4>,4|H<1>}	Si[5,5](Si[5]C[5,6a]C[5]H)(C[5]C[5,6a]CC)(C[5]C[5,6]N)(C[5]C[5]CC){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	99.1458	0.000	1	99.1458	0.000	1	99.1458	0.000	1	100.4969	3.651	2	100.0096	2.995	13	102.8624	16.103	102
474	474	562	5:SP3_SP3_SP3	C[5]	C[5]	Si[5,5]	4:4:4:4:	4:4:1:1:	4:4:3:4:	Si[5,5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:N[5]-3:Si-4:	C[5](Si[5,5]C[5,5]N[5]Si)(C[5]C[5]HH)(SiC3)2	C[5](C[5]Si[5,5]Si2)(C[5]C[5,5]HH)(H)2	Si[5,5](C[5,5]C[5]2Si)(C[5]C[5]Si2)(N[5]N[5]H)(SiC3)	C[5](Si[5,5]C[5,5]N[5]Si)(C[5]C[5]HH)(SiC3)2{1|Si<4>,1|C<3>,1|N<2>,3|H<1>}	C[5](C[5]Si[5,5]Si2)(C[5]C[5,5]HH)(H)2{2|Si<4>,1|C<3>,1|N<3>}	Si[5,5](C[5,5]C[5]2Si)(C[5]C[5]Si2)(N[5]N[5]H)(SiC3){1|Si<4>,4|H<1>}	101.8480	0.000	1	101.8480	0.000	1	101.8480	0.000	1	100.4969	3.651	2	100.0096	2.995	13	102.8624	16.103	102
474	474	562	5:SP3_SP3_SP3	C[5]	C[5]	Si[5,5]	4:4:4:4:	4:4:1:1:	4:4:4:2:	Si[5,5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[5]-4:O[5]-2:	C[5](Si[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)(SiC3)2	C[5](C[5]Si[5,5]Si2)(C[5]C[5]HH)(H)2	Si[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5]Si2)2(O[5]C[5])	C[5](Si[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)(SiC3)2{2|Si<4>,3|C<3>,3|H<1>}	C[5](C[5]Si[5,5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|C<4>,1|O<2>}	Si[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5]Si2)2(O[5]C[5]){3|C<3>,5|H<1>}	99.1478	2.235	2	99.1478	4.994	2	99.1478	4.994	2	99.1478	4.994	2	100.0096	2.995	13	102.8624	16.103	102
474	474	562	5:SP3_SP3_SP3	C[5]	C[5]	Si[5,6]	4:4:4:4:	4:4:1:1:	3:4:4:2:	Si[5,6]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5]-4:C[5]-4:O[6]-2:	C[5](Si[5,6]C[6,6a]C[5]O[6])(C[5]C[5]HH)(SiC3)2	C[5](C[5]Si[5,6]Si2)(C[5]C[5]HH)(H)2	Si[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]Si2)2(O[6]C[5,6])	C[5](Si[5,6]C[6,6a]C[5]O[6])(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>,3|C<3>}	C[5](C[5]Si[5,6]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|C<3>,1|O<2>}	Si[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]Si2)2(O[6]C[5,6]){4|C<3>,5|H<1>}	100.2915	1.326	2	100.2915	1.758	2	100.2915	1.758	2	100.2915	1.758	2	100.1626	1.642	10	102.8624	16.103	102
474	474	562	5:SP3_SP3_SP3	C[5]	C[5]	Si[5,6]	4:4:4:4:	4:4:1:1:	4:4:2:2:	Si[5,6]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N[6]-2:O[6]-2:	C[5](Si[5,6]C[5]N[6]O[6])(C[5]C[5]HH)(SiC3)2	C[5](C[5]Si[5,6]Si2)(C[5]C[5]HH)(H)2	Si[5,6](C[5]C[5]Si2)2(N[6]N[6])(O[6]C[6])	C[5](Si[5,6]C[5]N[6]O[6])(C[5]C[5]HH)(SiC3)2{2|Si<4>,1|C<3>,1|N<2>,2|H<1>}	C[5](C[5]Si[5,6]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|N<2>,1|O<2>}	Si[5,6](C[5]C[5]Si2)2(N[6]N[6])(O[6]C[6]){2|C<3>,4|H<1>}	99.7334	0.276	2	99.7334	0.076	2	99.7334	0.076	2	99.7334	0.076	2	100.1626	1.642	10	102.8624	16.103	102
474	474	562	5:SP3_SP3_SP3	C[5]	C[5]	Si[5,6]	4:4:4:4:	4:4:1:1:	4:4:3:3:	Si[5,6]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-3:C[6]-3:	C[5](Si[5,6]C[5]C[6]2)(C[5]C[5]HH)(SiC3)2	C[5](C[5]Si[5,6]Si2)(C[5]C[5]HH)(H)2	Si[5,6](C[5]C[5]Si2)2(C[6]C[6]H)2	C[5](Si[5,6]C[5]C[6]2)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|C<3>,4|H<1>}	C[5](C[5]Si[5,6]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,2|C<3>}	Si[5,6](C[5]C[5]Si2)2(C[6]C[6]H)2{1|C<4>,2|C<3>,4|H<1>}	100.6685	0.152	2	100.8340	0.206	4	100.8340	0.206	4	100.8340	0.206	4	100.1626	1.642	10	102.8624	16.103	102
474	474	562	5:SP3_SP3_SP3	C[5]	C[5]	Si[5,6]	4:4:4:4:	4:4:1:1:	4:4:3:3:	Si[5,6]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-3:C[6]-3:	C[5](Si[5,6]C[5]C[6]2)(C[5]C[5]HH)(SiC3)2	C[5](C[5]Si[5,6]Si2)(C[5]C[5]HH)(H)2	Si[5,6](C[5]C[5]Si2)2(C[6]C[6]H)2	C[5](Si[5,6]C[5]C[6]2)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|C<3>,4|H<1>}	C[5](C[5]Si[5,6]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,2|C<3>}	Si[5,6](C[5]C[5]Si2)2(C[6]C[6]H)2{2|C<3>,5|H<1>}	100.9995	0.697	2	100.8340	0.206	4	100.8340	0.206	4	100.8340	0.206	4	100.1626	1.642	10	102.8624	16.103	102
474	474	562	5:SP3_SP3_SP3	C[5]	C[5]	Si[5,6]	4:4:4:4:	4:4:1:1:	4:4:4:2:	Si[5,6]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[5]-4:O[6]-2:	C[5](Si[5,6]C[5,6,6]C[5]O[6])(C[5]C[5]HH)(SiC3)2	C[5](C[5]Si[5,6]Si2)(C[5]C[5]HH)(H)2	Si[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]Si2)2(O[6]C[5,6])	C[5](Si[5,6]C[5,6,6]C[5]O[6])(C[5]C[5]HH)(SiC3)2{2|Si<4>,1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]Si[5,6]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|C<4>,1|O<2>}	Si[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]Si2)2(O[6]C[5,6]){1|Si<4>,1|C<4>,3|C<3>,5|H<1>}	99.1203	2.820	2	99.1203	7.950	2	99.1203	7.950	2	99.1203	7.950	2	100.1626	1.642	10	102.8624	16.103	102
474	474	562	5:SP3_SP3_SP3	C[5]	C[5]	Si[5]	4:3:3:4:	4:4:1:1:	4:4:3:1:	Si[5]-4:C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N[6]-3:O-1:	C[5](Si[5]C[5]N[6]O)(C[6a]C[6a]2)2(C[5]C[5]HH)	C[5](C[5]C[6a]2Si[5])(C[5]C[5]HH)(H)2	Si[5](C[5]C[6a]C[5]C[6])(C[5]C[6a]2C[5])(N[6]C[6]2)(O)	C[5](Si[5]C[5]N[6]O)(C[6a]C[6a]2)2(C[5]C[5]HH){6|H<1>,8|C<3>}	C[5](C[5]C[6a]2Si[5])(C[5]C[5]HH)(H)2{1|N<3>,1|O<1>,6|C<3>}	Si[5](C[5]C[6a]C[5]C[6])(C[5]C[6a]2C[5])(N[6]C[6]2)(O){10|C<3>,6|H<1>}	101.9690	0.000	1	101.9690	0.000	1	101.9690	0.000	1	101.9690	0.000	1	103.5473	18.529	67	102.8624	16.103	102
474	474	562	5:SP3_SP3_SP3	C[5]	C[5]	Si[5]	4:3:4:3:	4:4:1:1:	4:4:3:1:	Si[5]-4:C[6a]-3:C[5]-4:C[6]-3:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N[6]-3:O-1:	C[5](Si[5]C[5]N[6]O)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]2)	C[5](C[5]C[6a]Si[5]C[6])(C[5]C[5]HH)(H)2	Si[5](C[5]C[6a]C[5]C[6])(C[5]C[6a]2C[5])(N[6]C[6]2)(O)	C[5](Si[5]C[5]N[6]O)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]2){6|H<1>,8|C<3>}	C[5](C[5]C[6a]Si[5]C[6])(C[5]C[5]HH)(H)2{1|N<3>,1|O<1>,6|C<3>}	Si[5](C[5]C[6a]C[5]C[6])(C[5]C[6a]2C[5])(N[6]C[6]2)(O){10|C<3>,6|H<1>}	102.4800	0.000	1	102.4800	0.000	1	102.4800	0.000	1	102.4800	0.000	1	103.5473	18.529	67	102.8624	16.103	102
474	474	562	5:SP3_SP3_SP3	C[5]	C[5]	Si[5]	4:4:1:1:	3:4:1:1:	3:4:4:2:	Si[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:O-2:	C[5](Si[5]C[5,6a]CO)(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]HH)(H)2	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC3)(OC)	C[5](Si[5]C[5,6a]CO)(C[5]C[5,6a]HH)(H)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC3)(OC){2|C<3>,3|H<1>}	105.0085	0.078	2	105.0085	0.006	2	105.0085	0.006	2	105.0085	0.006	2	103.5473	18.529	67	102.8624	16.103	102
474	474	562	5:SP3_SP3_SP3	C[5]	C[5]	Si[5]	4:4:1:1:	3:4:2:1:	3:4:4:4:	Si[5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:O-2:H-1:	C[5]-3:C[5]-4:C-4:C-4:	C[5](Si[5]C[5]CC)(C[5]C[5]HO)(H)2	C[5](C[5]C[6a]C[5])(C[5]Si[5]HH)(OC)(H)	Si[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[5](Si[5]C[5]CC)(C[5]C[5]HO)(H)2{2|C<3>}	C[5](C[5]C[6a]C[5])(C[5]Si[5]HH)(OC)(H){2|C<4>,3|C<3>}	Si[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|H<1>,1|O<2>,3|C<3>}	105.6850	0.000	1	105.6850	0.000	1	105.6850	0.000	1	105.6850	0.000	1	103.5473	18.529	67	102.8624	16.103	102
474	474	562	5:SP3_SP3_SP3	C[5]	C[5]	Si[5]	4:4:1:1:	4:3:2:1:	3:4:4:4:	Si[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-3:C[5]-4:C-4:C-4:	C[5](Si[5]C[5]CC)(C[5]C[5]HO)(H)2	C[5](C[5]Si[5]HH)(C[5]C[5]H)(OC)(H)	Si[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[5](Si[5]C[5]CC)(C[5]C[5]HO)(H)2{1|C<3>,1|H<1>}	C[5](C[5]Si[5]HH)(C[5]C[5]H)(OC)(H){1|C<3>,2|C<4>}	Si[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|O<2>,2|C<3>,2|H<1>}	106.8360	0.000	1	106.8360	0.000	1	106.8360	0.000	1	106.8360	0.000	1	103.5473	18.529	67	102.8624	16.103	102
474	474	562	5:SP3_SP3_SP3	C[5]	C[5]	Si[5]	4:4:1:1:	4:3:3:1:	4:4:4:4:	Si[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5](Si[5]C[5]CC)(C[5]N[5]CH)(H)2	C[5](C[5]Si[5]HH)(N[5]C[5]C)(CNO)(H)	Si[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)2	C[5](Si[5]C[5]CC)(C[5]N[5]CH)(H)2{1|C<3>,2|H<1>}	C[5](C[5]Si[5]HH)(N[5]C[5]C)(CNO)(H){2|C<4>,2|H<1>}	Si[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)2{1|H<1>,2|C<3>}	105.1600	0.949	2	105.1600	0.900	2	105.1600	0.900	2	105.1600	0.900	2	103.5473	18.529	67	102.8624	16.103	102
474	474	562	5:SP3_SP3_SP3	C[5]	C[5]	Si[5]	4:4:1:1:	4:4:1:1:	3:4:4:3:	C[5]-4:Si[5]-4:H-1:H-1:	C[5]-4:Si[5]-4:H-1:H-1:	P[5]-3:C[5]-4:C-4:C-3:	C[5](C[5]Si[5]HH)(Si[5]P[5]CC)(H)2	C[5](C[5]Si[5]HH)(Si[5]P[5]CC)(H)2	Si[5](P[5]Si[5]Ba)(C[5]C[5]HH)(CH3)(CHH)	C[5](C[5]Si[5]HH)(Si[5]P[5]CC)(H)2{1|Ba<8>,2|C<4>}	C[5](C[5]Si[5]HH)(Si[5]P[5]CC)(H)2{1|Ba<8>,1|C<3>,1|C<4>}	Si[5](P[5]Si[5]Ba)(C[5]C[5]HH)(CH3)(CHH){2|C<4>,2|H<1>}	108.9480	0.000	1	108.9480	0.000	1	108.9480	0.000	1	108.9480	0.000	1	103.5473	18.529	67	102.8624	16.103	102
474	474	562	5:SP3_SP3_SP3	C[5]	C[5]	Si[5]	4:4:1:1:	4:4:1:1:	3:4:4:4:	C[5]-4:Si[5]-4:H-1:H-1:	C[5]-4:Si[5]-4:H-1:H-1:	P[5]-3:C[5]-4:C-4:C-4:	C[5](C[5]Si[5]HH)(Si[5]P[5]CC)(H)2	C[5](C[5]Si[5]HH)(Si[5]P[5]CC)(H)2	Si[5](P[5]Si[5]Ba)(C[5]C[5]HH)(CH3)2	C[5](C[5]Si[5]HH)(Si[5]P[5]CC)(H)2{1|Ba<8>,1|C<3>,1|C<4>}	C[5](C[5]Si[5]HH)(Si[5]P[5]CC)(H)2{1|Ba<8>,2|C<4>}	Si[5](P[5]Si[5]Ba)(C[5]C[5]HH)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	111.3690	0.000	1	111.3690	0.000	1	111.4314	4.538	5	108.9976	20.339	7	103.5473	18.529	67	102.8624	16.103	102
474	474	562	5:SP3_SP3_SP3	C[5]	C[5]	Si[5]	4:4:1:1:	4:4:1:1:	3:4:4:4:	C[5]-4:Si[5]-4:H-1:H-1:	C[5]-4:Si[5]-4:H-1:H-1:	P[5]-3:C[5]-4:C-4:C-4:	C[5](C[5]Si[5]HH)(Si[5]P[5]CC)(H)2	C[5](C[5]Si[5]HH)(Si[5]P[5]CC)(H)2	Si[5](P[5]Si[5]Si)(C[5]C[5]HH)(CH3)2	C[5](C[5]Si[5]HH)(Si[5]P[5]CC)(H)2{1|Si<4>,2|C<4>}	C[5](C[5]Si[5]HH)(Si[5]P[5]CC)(H)2{1|Si<4>,2|C<4>}	Si[5](P[5]Si[5]Si)(C[5]C[5]HH)(CH3)2{2|C<4>,2|H<1>}	111.4470	2.459	4	111.4470	6.048	4	111.4314	4.538	5	108.9976	20.339	7	103.5473	18.529	67	102.8624	16.103	102
474	474	562	5:SP3_SP3_SP3	C[5]	C[5]	Si[5]	4:4:1:1:	4:4:1:1:	3:4:4:4:	Si[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:C[5]-4:	C[5](Si[5]C[6a]C[5]2)(C[5]C[5]HH)(H)2	C[5](C[5]Si[5]HH)(C[5]C[5]HH)(H)2	Si[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]HH)2	C[5](Si[5]C[6a]C[5]2)(C[5]C[5]HH)(H)2{1|C<4>,3|C<3>,5|H<1>}	C[5](C[5]Si[5]HH)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	Si[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]HH)2{1|C<4>,4|C<3>,8|H<1>}	102.9130	0.474	2	102.9130	0.224	2	102.9130	0.224	2	108.9976	20.339	7	103.5473	18.529	67	102.8624	16.103	102
474	474	562	5:SP3_SP3_SP3	C[5]	C[5]	Si[5]	4:4:1:1:	4:4:1:1:	4:3:1:1:	C[5]-4:Si[5]-4:H-1:H-1:	C[5]-4:Si[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5](C[5]Si[5]HH)(Si[5]N[5]HH)(H)2	C[5](C[5]Si[5]HH)(Si[5]N[5]HH)(H)2	Si[5](C[5]C[5]HH)(N[5]Si[5]N)(H)2	C[5](C[5]Si[5]HH)(Si[5]N[5]HH)(H)2{1|N<3>,2|H<1>}	C[5](C[5]Si[5]HH)(Si[5]N[5]HH)(H)2{1|N<3>,2|H<1>}	Si[5](C[5]C[5]HH)(N[5]Si[5]N)(H)2{4|H<1>}	108.4355	0.282	2	108.4355	0.080	2	108.4355	0.080	2	108.4355	0.080	2	103.5473	18.529	67	102.8624	16.103	102
474	474	562	5:SP3_SP3_SP3	C[5]	C[5]	Si[5]	4:4:1:1:	4:4:1:1:	4:3:4:4:	C[5]-4:Si[5]-4:H-1:H-1:	C[5]-4:Si[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5](C[5]Si[5]HH)(Si[5]N[5]CC)(H)2	C[5](C[5]Si[5]HH)(Si[5]N[5]CC)(H)2	Si[5](C[5]C[5]HH)(N[5]Si[5]N)(CH3)2	C[5](C[5]Si[5]HH)(Si[5]N[5]CC)(H)2{1|N<2>,2|C<4>}	C[5](C[5]Si[5]HH)(Si[5]N[5]CC)(H)2{1|N<2>,2|C<4>}	Si[5](C[5]C[5]HH)(N[5]Si[5]N)(CH3)2{2|C<4>,2|H<1>}	107.9197	1.458	8	107.8926	2.576	10	107.8926	2.576	10	107.8926	2.576	10	103.5473	18.529	67	102.8624	16.103	102
474	474	562	5:SP3_SP3_SP3	C[5]	C[5]	Si[5]	4:4:1:1:	4:4:1:1:	4:3:4:4:	C[5]-4:Si[5]-4:H-1:H-1:	C[5]-4:Si[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5](C[5]Si[5]HH)(Si[5]N[5]CC)(H)2	C[5](C[5]Si[5]HH)(Si[5]N[5]CC)(H)2	Si[5](C[5]C[5]HH)(N[5]Si[5]N)(CH3)2	C[5](C[5]Si[5]HH)(Si[5]N[5]CC)(H)2{1|N<3>,2|C<4>}	C[5](C[5]Si[5]HH)(Si[5]N[5]CC)(H)2{1|N<3>,2|C<4>}	Si[5](C[5]C[5]HH)(N[5]Si[5]N)(CH3)2{2|C<4>,2|H<1>}	107.7840	2.875	2	107.8926	2.576	10	107.8926	2.576	10	107.8926	2.576	10	103.5473	18.529	67	102.8624	16.103	102
474	474	562	5:SP3_SP3_SP3	C[5]	C[5]	Si[5]	4:4:1:1:	4:4:1:1:	4:4:1:1:	Si[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:Cl-1:Cl-1:	C[5](Si[5]C[5]Cl2)(C[5]C[5]HH)(H)2	C[5](C[5]Si[5]HH)(C[5]C[5]HH)(H)2	Si[5](C[5]C[5]HH)2(Cl)2	C[5](Si[5]C[5]Cl2)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]Si[5]HH)(C[5]C[5]HH)(H)2{2|Cl<1>,2|H<1>}	Si[5](C[5]C[5]HH)2(Cl)2{4|H<1>}	102.1525	0.083	2	102.1525	0.007	2	102.1525	0.007	2	102.1525	0.007	2	103.5473	18.529	67	102.8624	16.103	102
474	474	562	5:SP3_SP3_SP3	C[5]	C[5]	Si[5]	4:4:1:1:	4:4:1:1:	4:4:2:2:	Si[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:O-2:	C[5](Si[5]C[5]OO)(C[5]C[5]HH)(H)2	C[5](C[5]Si[5]HH)(C[5]C[5]HH)(H)2	Si[5](C[5]C[5]HH)2(OC[6a])(OC)	C[5](Si[5]C[5]OO)(C[5]C[5]HH)(H)2{4|H<1>}	C[5](C[5]Si[5]HH)(C[5]C[5]HH)(H)2{2|H<1>,2|O<2>}	Si[5](C[5]C[5]HH)2(OC[6a])(OC){4|H<1>}	105.4297	2.119	4	105.4297	4.492	4	105.4297	4.492	4	105.4297	4.492	4	103.5473	18.529	67	102.8624	16.103	102
474	474	562	5:SP3_SP3_SP3	C[5]	C[5]	Si[5]	4:4:1:1:	4:4:3:1:	4:3:3:4:	Si[5]-4:C[5]-4:H-1:H-1:	C[5,5,6,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,5,6,6]-4:C[6a]-3:C[6a]-3:C[5]-4:	C[5](Si[5]C[5,5,6,6]C[6a]2)(C[5]C[5,5,6,6]C[6a]H)(H)2	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[5]Si[5]HH)(C[6a]C[6a]2)(H)	Si[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[6a]C[6a]2)2(C[5]C[5]HH)	C[5](Si[5]C[5,5,6,6]C[6a]2)(C[5]C[5,5,6,6]C[6a]H)(H)2{10|C<3>}	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[5]Si[5]HH)(C[6a]C[6a]2)(H){10|C<3>,2|H<1>}	Si[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[6a]C[6a]2)2(C[5]C[5]HH){11|C<3>,1|H<1>,4|C<4>}	99.7851	0.000	1	99.7851	0.000	1	99.7851	0.000	1	99.7851	0.000	1	103.5473	18.529	67	102.8624	16.103	102
474	474	562	5:SP3_SP3_SP3	C[5]	C[5]	Si[5]	4:4:3:1:	3:4:4:1:	3:4:4:4:	C[5]-4:Si[5]-4:C[6a]-3:H-1:	C[5,5a]-3:C[5]-4:Si-4:H-1:	C[5,5a]-3:C[5]-4:C-4:C-4:	C[5](C[5]C[5,5a]SiH)(Si[5]C[5,5a]CC)(C[6a]C[6a]2)(H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]Si[5]H)(SiCCH)(H)	Si[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]H)(CH3)2	C[5](C[5]C[5,5a]SiH)(Si[5]C[5,5a]CC)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]Si[5]H)(SiCCH)(H){3|C<4>,4|C<3>}	Si[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]H)(CH3)2{1|Si<4>,1|H<1>,1|N<3>,4|C<3>}	107.2030	0.000	1	107.2030	0.000	1	107.2030	0.000	1	107.2030	0.000	1	103.5473	18.529	67	102.8624	16.103	102
474	474	562	5:SP3_SP3_SP3	C[5]	C[5]	Si[5]	4:4:3:1:	4:4:2:1:	4:2:4:4:	Si[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5](Si[5]O[5]CC)(C[5]C[5]HO)(CCH)(H)	C[5](C[5]Si[5]CH)(C[5]O[5]CH)(OSi)(H)	Si[5](C[5]C[5]CH)(O[5]C[5])(CC3)2	C[5](Si[5]O[5]CC)(C[5]C[5]HO)(CCH)(H){1|C<4>,1|H<1>}	C[5](C[5]Si[5]CH)(C[5]O[5]CH)(OSi)(H){2|C<4>}	Si[5](C[5]C[5]CH)(O[5]C[5])(CC3)2{1|C<4>,1|O<2>,2|H<1>}	101.4690	0.000	1	101.4690	0.000	1	101.4690	0.000	1	101.4690	0.000	1	103.5473	18.529	67	102.8624	16.103	102
474	474	562	5:SP3_SP3_SP3	C[5]	C[5]	Si[5]	4:4:3:1:	4:4:4:1:	4:2:4:4:	Si[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5](Si[5]O[5]CC)(C[5]C[5]CH)(CCH)(H)	C[5](C[5]C[6a]O[5]H)(C[5]Si[5]CH)(CH3)(H)	Si[5](C[5]C[5]CH)(O[5]C[5])(CC3)2	C[5](Si[5]O[5]CC)(C[5]C[5]CH)(CCH)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]Si[5]CH)(CH3)(H){2|C<3>,2|C<4>}	Si[5](C[5]C[5]CH)(O[5]C[5])(CC3)2{1|C<3>,1|C<4>,2|H<1>}	100.6720	0.000	1	100.6720	0.000	1	100.6720	0.000	1	99.7310	0.890	6	103.5473	18.529	67	102.8624	16.103	102
474	474	562	5:SP3_SP3_SP3	C[5]	C[5]	Si[5]	4:4:3:1:	4:4:4:1:	4:2:4:4:	Si[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5](Si[5]O[5]CC)(C[5]C[5]2H)(CCH)(H)	C[5](C[5]Si[5]CH)(C[5]C[5]2H)(C[5]O[5]HH)(H)	Si[5](C[5]C[5]CH)(O[5]C[5])(CCCH)2	C[5](Si[5]O[5]CC)(C[5]C[5]2H)(CCH)(H){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5]Si[5]CH)(C[5]C[5]2H)(C[5]O[5]HH)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	Si[5](C[5]C[5]CH)(O[5]C[5])(CCCH)2{1|C<4>,3|H<1>}	99.5427	0.920	5	99.5427	0.847	5	99.5427	0.847	5	99.7310	0.890	6	103.5473	18.529	67	102.8624	16.103	102
474	474	562	5:SP3_SP3_SP3	C[5]	C[5]	Si[5]	4:4:3:1:	4:4:4:4:	4:2:4:4:	Si[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:O[5]-2:C-4:C-4:	C[5](Si[5]O[5]CC)(C[5]C[5]CC)(CCH)(H)	C[5](C[5]C[6a]O[5]H)(C[5]Si[5]CH)(CH3)2	Si[5](C[5]C[5]CH)(O[5]C[5])(CC3)2	C[5](Si[5]O[5]CC)(C[5]C[5]CC)(CCH)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]Si[5]CH)(CH3)2{2|C<3>,2|C<4>}	Si[5](C[5]C[5]CH)(O[5]C[5])(CC3)2{1|C<3>,1|H<1>,2|C<4>}	103.9460	0.000	1	103.9460	0.000	1	103.9460	0.000	1	103.9460	0.000	1	103.5473	18.529	67	102.8624	16.103	102
474	474	562	5:SP3_SP3_SP3	C[5]	C[5]	Si[5]	4:4:4:1:	4:4:4:1:	4:3:4:2:	C[5]-4:Si[5]-4:Si-4:H-1:	C[5]-4:C[5]-4:Si-4:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C[5](C[5]C[5]SiH)(Si[5]C[5]CO)(SiC3)(H)	C[5](C[5]Si[5]SiH)(C[5]C[5]SiH)(SiC3)(H)	Si[5](C[5]C[5]SiH)(C[5]C[5]C)(CH3)(OC)	C[5](C[5]C[5]SiH)(Si[5]C[5]CO)(SiC3)(H){1|Si<4>,1|C<3>,1|H<1>}	C[5](C[5]Si[5]SiH)(C[5]C[5]SiH)(SiC3)(H){1|C<3>,1|C<4>,1|O<2>}	Si[5](C[5]C[5]SiH)(C[5]C[5]C)(CH3)(OC){2|Si<4>,2|H<1>}	105.4800	0.269	2	105.4800	0.072	2	105.4800	0.072	2	105.4800	0.072	2	103.5473	18.529	67	102.8624	16.103	102
474	474	562	5:SP3_SP3_SP3	C[5]	C[5]	Si[5]	4:4:4:4:	4:3:1:1:	4:3:3:2:	Si[5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C[3]-3:O-2:	C[5](Si[5]C[3]C[5]O)(C[5]C[5]HH)(SiC3)2	C[5](C[5]Si[5]Si2)(C[5]C[5]H)(H)2	Si[5](C[5]C[5]Si2)(C[5]C[5]Si)(C[3]C[3]2)(OSi)	C[5](Si[5]C[3]C[5]O)(C[5]C[5]HH)(SiC3)2{1|Si<4>,1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]Si[5]Si2)(C[5]C[5]H)(H)2{1|Si<4>,1|C<3>,1|O<2>}	Si[5](C[5]C[5]Si2)(C[5]C[5]Si)(C[3]C[3]2)(OSi){2|C<3>,4|H<1>}	101.2540	0.000	1	101.2540	0.000	1	101.2540	0.000	1	101.2540	0.000	1	103.5473	18.529	67	102.8624	16.103	102
474	474	562	5:SP3_SP3_SP3	C[5]	C[5]	Si[5]	4:4:4:4:	4:4:1:1:	4:4:2:1:	Si[5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:O-1:	C[5](Si[5]C[5]OO)(C[5]C[5]HH)(SiC3)2	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	Si[5](C[5]C[5]Si2)2(OC)(O)	C[5](Si[5]C[5]OO)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|O<1>,1|O<2>}	Si[5](C[5]C[5]Si2)2(OC)(O){4|H<1>}	99.4592	0.673	2	99.4592	0.453	2	99.4592	0.453	2	99.4592	0.453	2	103.5473	18.529	67	102.8624	16.103	102
474	474	562	5:SP3_SP3_SP3	C[5]	C[5]	Si[5]	4:4:4:4:	4:4:1:1:	4:4:3:1:	Si[5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5](Si[5]C[5]HN)(C[5]C[5]HH)(SiC3)2	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	Si[5](C[5]C[5]Si2)2(NCC)(H)	C[5](Si[5]C[5]HN)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|H<1>,1|N<3>}	Si[5](C[5]C[5]Si2)2(NCC)(H){4|H<1>}	98.2308	2.107	2	98.2308	4.440	2	98.2308	4.440	2	98.2308	4.440	2	103.5473	18.529	67	102.8624	16.103	102
474	474	562	5:SP3_SP3_SP3	C[5]	C[5]	Si[5]	4:4:4:4:	4:4:1:1:	4:4:3:2:	Si[5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:N-2:	C[5](Si[5]C[5]CN)(C[5]C[5]HH)(SiC3)2	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	Si[5](C[5]C[5]Si2)2(CCH)(NC)	C[5](Si[5]C[5]CN)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|C<3>,1|N<2>}	Si[5](C[5]C[5]Si2)2(CCH)(NC){4|H<1>}	99.9890	0.327	2	99.9890	0.107	2	99.9890	0.107	2	99.9890	0.107	2	103.5473	18.529	67	102.8624	16.103	102
474	474	562	5:SP3_SP3_SP3	C[5]	C[5]	Si[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	Si[5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:Si-4:Cl-1:	C[5](Si[5]C[5]ClSi)(C[5]C[5]HH)(SiC3)2	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	Si[5](C[5]C[5]Si2)2(SiC[6a]Cl2)(Cl)	C[5](Si[5]C[5]ClSi)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{1|Cl<1>,3|Si<4>}	Si[5](C[5]C[5]Si2)2(SiC[6a]Cl2)(Cl){4|H<1>}	98.4302	1.948	2	98.4302	3.793	2	98.7866	0.757	10	98.9570	1.069	12	103.5473	18.529	67	102.8624	16.103	102
474	474	562	5:SP3_SP3_SP3	C[5]	C[5]	Si[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	Si[5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:Si-4:Cl-1:	C[5](Si[5]C[5]ClSi)(C[5]C[5]HH)(SiC3)2	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	Si[5](C[5]C[5]Si2)2(SiCl2Si)(Cl)	C[5](Si[5]C[5]ClSi)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{1|Cl<1>,3|Si<4>}	Si[5](C[5]C[5]Si2)2(SiCl2Si)(Cl){4|H<1>}	98.8758	0.622	8	98.8758	0.387	8	98.7866	0.757	10	98.9570	1.069	12	103.5473	18.529	67	102.8624	16.103	102
474	474	562	5:SP3_SP3_SP3	C[5]	C[5]	Si[5]	4:4:4:4:	4:4:1:1:	4:4:4:1:	Si[5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:Si-4:H-1:	C[5](Si[5]C[5]SiH)(C[5]C[5]HH)(SiC3)2	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	Si[5](C[5]C[5]Si2)2(SiSiOO)(H)	C[5](Si[5]C[5]SiH)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{3|Si<4>,1|H<1>}	Si[5](C[5]C[5]Si2)2(SiSiOO)(H){4|H<1>}	99.8090	1.787	2	99.8090	3.195	2	99.8090	3.195	2	98.9570	1.069	12	103.5473	18.529	67	102.8624	16.103	102
474	474	562	5:SP3_SP3_SP3	C[5]	C[5]	Si[5]	4:4:4:4:	4:4:1:1:	4:4:4:2:	Si[5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:Si-4:O-2:	C[5](Si[5]C[5]SiO)(C[5]C[5]HH)(SiC3)2	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	Si[5](C[5]C[5]Si2)2(SiSiHH)(OC)	C[5](Si[5]C[5]SiO)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{3|Si<4>,1|O<2>}	Si[5](C[5]C[5]Si2)2(SiSiHH)(OC){4|H<1>}	100.3834	1.204	2	100.3834	1.450	2	100.3834	1.450	2	100.3834	1.450	2	103.5473	18.529	67	102.8624	16.103	102
474	474	606	5:SP3_SP3_SP3	C[5,5]	C[5]	Ge[5]	3:3:4:4:	4:3:2:1:	4:3:3:4:	C[5,6a]-3:C[5,6a]-3:Ge[5]-4:C[5]-4:	C[5,5]-4:C[6a]-3:N[5]-2:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:C[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])2(Ge[5]C[6a]2C[5])(C[5]C[6a]N[5]H)	C[5](C[5,5]C[5,6a]2Ge[5])(C[6a]C[6a]2)(N[5]C[5])(H)	Ge[5](C[5,5]C[5,6a]2C[5])(C[6a]C[6a]2)2(C[5]N[5]CH)	C[5,5](C[5,6a]C[5,6a]C[6a])2(Ge[5]C[6a]2C[5])(C[5]C[6a]N[5]H){11|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]2Ge[5])(C[6a]C[6a]2)(N[5]C[5])(H){3|H<1>,9|C<3>}	Ge[5](C[5,5]C[5,6a]2C[5])(C[6a]C[6a]2)2(C[5]N[5]CH){1|H<1>,4|C<4>,9|C<3>}	97.6275	0.000	2	97.6275	0.000	2	97.6275	0.000	2	97.6275	0.000	2	97.6275	0.000	2	97.2596	0.199	4
474	474	606	5:SP3_SP3_SP3	C[5]	C[5]	Ge[5]	4:4:4:4:	4:4:1:1:	4:4:2:2:	Ge[5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:O-2:	C[5](Ge[5]C[5]OO)(C[5]C[5]HH)(SiC3)2	C[5](C[5]Ge[5]Si2)(C[5]C[5]HH)(H)2	Ge[5](C[5]C[5]Si2)2(ON[6])2	C[5](Ge[5]C[5]OO)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	C[5](C[5]Ge[5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,2|O<2>}	Ge[5](C[5]C[5]Si2)2(ON[6])2{4|H<1>}	96.8916	0.237	2	96.8916	0.056	2	96.8916	0.056	2	96.8916	0.056	2	96.8916	0.056	2	97.2596	0.199	4
474	474	610	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	B	4:4:4:1:	4:4:4:1:	4:3:3:1:	C[5,5,6]-4:C[5,6]-4:B-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(BC[6a]2H)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BH)(C[5,6]C[5,6]HH)(H)	B(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(BC[6a]2H)(H){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BH)(C[5,6]C[5,6]HH)(H){1|P<4>,4|H<1>}	B(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)2(H)	112.0070	0.000	1	112.0070	0.000	1	112.0070	0.000	1	112.0070	0.000	1	119.7860	121.026	2	114.3583	26.128	25
474	474	610	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	B	4:4:4:1:	4:4:4:1:	4:3:3:2:	C[5,5,6]-4:C[5,6]-4:B-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:C-2:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(BC[6a]2C)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BH)(C[5,6]C[5,6]HH)(H)	B(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)2(CO)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(BC[6a]2C)(H){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BH)(C[5,6]C[5,6]HH)(H){1|P<3>,4|H<1>}	B(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)2(CO)	127.5650	0.000	1	127.5650	0.000	1	127.5650	0.000	1	127.5650	0.000	1	119.7860	121.026	2	114.3583	26.128	25
474	474	610	0:SP3_SP3_SP3	C[5,6]	C[5,6]	B	4:4:4:1:	4:4:3:1:	4:3:3:2:	C[5,5,6]-4:C[5,6]-4:B-4:H-1:	C[5,5,6]-4:C[5,6]-4:P-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:C-2:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(BC[6a]2C)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BH)(PC[6a]2)(H)	B(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)2(CO)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(BC[6a]2C)(H){1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BH)(PC[6a]2)(H){1|C<4>,5|H<1>}	B(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)2(CO)	105.0540	0.000	1	105.0540	0.000	1	105.0540	0.000	1	105.0540	0.000	1	108.7625	27.506	2	114.3583	26.128	25
474	474	610	0:SP3_SP3_SP3	C[5,6]	C[5,6]	B	4:4:4:1:	4:4:4:1:	4:3:3:1:	C[5,5,6]-4:C[5,6]-4:B-4:H-1:	C[5,5,6]-4:C[5,6]-4:P-4:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(BC[6a]2H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BH)(PC[6a]2H)(H)	B(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(BC[6a]2H)(H){1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BH)(PC[6a]2H)(H){1|C<4>,5|H<1>}	B(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)2(H)	112.4710	0.000	1	112.4710	0.000	1	112.4710	0.000	1	112.4710	0.000	1	108.7625	27.506	2	114.3583	26.128	25
474	474	610	0:SP3_SP3_SP3	C[5]	C[5]	B	3:4:4:1:	4:4:1:1:	3:3:4:1:	C[5]-3:C[5]-4:B-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:H-1:	C[5](C[5]C[5]N[6])(C[5]C[5]HH)(BC[6a]2H)(H)	C[5](C[5]C[5]BH)(C[5]C[5]HH)(H)2	B(C[6a]C[6a]2)2(C[5]C[5]2H)(H)	C[5](C[5]C[5]N[6])(C[5]C[5]HH)(BC[6a]2H)(H){2|C<4>,4|H<1>}	C[5](C[5]C[5]BH)(C[5]C[5]HH)(H)2{1|N<3>,2|H<1>}	B(C[6a]C[6a]2)2(C[5]C[5]2H)(H)	111.3780	0.000	1	111.3780	0.000	1	111.3780	0.000	1	111.3780	0.000	1	114.3743	17.849	21	114.3583	26.128	25
474	474	610	0:SP3_SP3_SP3	C[5]	C[5]	B	3:4:4:1:	4:4:4:4:	4:3:1:1:	N[5]-3:C[5]-4:B-4:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:N[6]-3:H-1:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BN[6]HH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]BH)(CH3)2	B(C[5]C[5]N[5]H)(N[6]C[6]2)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BN[6]HH)(H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]BH)(CH3)2{1|C<3>,2|C<4>}	B(C[5]C[5]N[5]H)(N[6]C[6]2)(H)2	119.6990	0.000	1	119.6990	0.000	1	119.6990	0.000	1	119.6990	0.000	1	114.3743	17.849	21	114.3583	26.128	25
474	474	610	0:SP3_SP3_SP3	C[5]	C[5]	B	4:2:4:1:	4:4:4:1:	4:3:3:3:	C[5]-4:O[5]-2:B-4:H-1:	C[5]-4:C[5]-4:P-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[5]HP)(O[5]B[5])(BC[6a]3)(H)	C[5](C[5]B[5]HH)(C[5]O[5]BH)(PC[6a]2H)(H)	B(C[5]C[5]O[5]H)(C[6a]C[6a]2)3	C[5](C[5]C[5]HP)(O[5]B[5])(BC[6a]3)(H){1|C<3>,2|H<1>}	C[5](C[5]B[5]HH)(C[5]O[5]BH)(PC[6a]2H)(H){1|C<3>}	B(C[5]C[5]O[5]H)(C[6a]C[6a]2)3	115.2390	0.000	1	115.2390	0.000	1	115.2390	0.000	1	115.2390	0.000	1	114.3743	17.849	21	114.3583	26.128	25
474	474	610	0:SP3_SP3_SP3	C[5]	C[5]	B	4:3:4:1:	4:4:1:1:	4:3:1:1:	C[5]-4:C[5]-3:B-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]O[5]O)(BC[5]HH)(H)	C[5](C[5]C[5]BH)(C[5]O[5]HH)(H)2	B(C[5]C[5]2H)(C[5]N[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]O)(BC[5]HH)(H){2|H<1>}	C[5](C[5]C[5]BH)(C[5]O[5]HH)(H)2{1|O<1>}	B(C[5]C[5]2H)(C[5]N[5]2)(H)2	111.3270	0.000	1	111.3270	0.000	1	111.3270	0.000	1	111.3270	0.000	1	114.3743	17.849	21	114.3583	26.128	25
474	474	610	0:SP3_SP3_SP3	C[5]	C[5]	B	4:4:3:1:	4:4:1:1:	4:3:3:3:	B-4:C[5]-4:B[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:N[6]-3:	C[5](BC[6a]2N[6])(C[5]C[5]HH)(B[5]C[5]N)(H)	C[5](C[5]B[5]BH)(C[5]C[5]HH)(H)2	B(C[5]B[5]C[5]H)(C[6a]C[6a]2)2(N[6]C[6]2)	C[5](BC[6a]2N[6])(C[5]C[5]HH)(B[5]C[5]N)(H){4|H<1>}	C[5](C[5]B[5]BH)(C[5]C[5]HH)(H)2{1|N<3>,2|H<1>}	B(C[5]B[5]C[5]H)(C[6a]C[6a]2)2(N[6]C[6]2)	109.5320	0.000	1	109.5320	0.000	1	109.5320	0.000	1	109.5320	0.000	1	114.3743	17.849	21	114.3583	26.128	25
474	474	610	0:SP3_SP3_SP3	C[5]	C[5]	B	4:4:4:1:	4:4:1:1:	3:3:4:1:	C[5]-4:C[5]-4:B-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:H-1:	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(BC[6a]2H)(H)	C[5](C[5]C[5]BH)(C[5]C[5]HH)(H)2	B(C[6a]C[6a]2)2(C[5]C[5]2H)(H)	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(BC[6a]2H)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5]BH)(C[5]C[5]HH)(H)2{1|N<4>,3|H<1>}	B(C[6a]C[6a]2)2(C[5]C[5]2H)(H)	122.2520	0.000	1	122.2520	0.000	1	122.2520	0.000	1	122.2520	0.000	1	114.3743	17.849	21	114.3583	26.128	25
474	474	610	0:SP3_SP3_SP3	C[5]	C[5]	B	4:4:4:1:	4:4:1:1:	3:3:4:2:	C[5]-4:C[5]-4:B-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:C-2:	C[5](C[5]C[5]HH)(C[5]P[5]HH)(BC[6a]2C)(H)	C[5](C[5]C[5]BH)(C[5]P[5]HH)(H)2	B(C[6a]C[6a]2)2(C[5]C[5]2H)(CC)	C[5](C[5]C[5]HH)(C[5]P[5]HH)(BC[6a]2C)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]BH)(C[5]P[5]HH)(H)2{1|C<3>,3|H<1>}	B(C[6a]C[6a]2)2(C[5]C[5]2H)(CC)	116.0470	0.000	1	116.0470	0.000	1	117.7855	3.823	4	116.1104	8.191	7	114.3743	17.849	21	114.3583	26.128	25
474	474	610	0:SP3_SP3_SP3	C[5]	C[5]	B	4:4:4:1:	4:4:1:1:	3:3:4:2:	C[5]-4:C[5]-4:B-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:C-2:	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(BC[6a]2C)(H)	C[5](C[5]C[5]BH)(C[5]C[5]HH)(H)2	B(C[6a]C[6a]2)2(C[5]C[5]2H)(CC)	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(BC[6a]2C)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5]BH)(C[5]C[5]HH)(H)2{1|N<4>,3|H<1>}	B(C[6a]C[6a]2)2(C[5]C[5]2H)(CC)	119.2655	1.604	2	119.2655	2.574	2	117.7855	3.823	4	116.1104	8.191	7	114.3743	17.849	21	114.3583	26.128	25
474	474	610	0:SP3_SP3_SP3	C[5]	C[5]	B	4:4:4:1:	4:4:1:1:	3:3:4:2:	C[5]-4:C[5]-4:B-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:C-2:	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(BC[6a]2C)(H)	C[5](C[5]C[5]BH)(C[5]C[5]HH)(H)2	B(C[6a]C[6a]2)2(C[5]C[5]2H)(CN)	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(BC[6a]2C)(H){2|C<4>,4|H<1>}	C[5](C[5]C[5]BH)(C[5]C[5]HH)(H)2{1|N<3>,3|H<1>}	B(C[6a]C[6a]2)2(C[5]C[5]2H)(CN)	116.5640	0.000	1	116.5640	0.000	1	117.7855	3.823	4	116.1104	8.191	7	114.3743	17.849	21	114.3583	26.128	25
474	474	610	0:SP3_SP3_SP3	C[5]	C[5]	B	4:4:4:1:	4:4:1:1:	3:3:4:2:	C[5]-4:C[5]-4:B-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:O-2:	C[5](C[5]C[5]HH)(C[5]P[5]HH)(BC[6a]2O)(H)	C[5](C[5]C[5]BH)(C[5]P[5]HH)(H)2	B(C[6a]C[6a]2)2(C[5]C[5]2H)(OC)	C[5](C[5]C[5]HH)(C[5]P[5]HH)(BC[6a]2O)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]BH)(C[5]P[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	B(C[6a]C[6a]2)2(C[5]C[5]2H)(OC)	116.6220	0.000	1	116.6220	0.000	1	116.6220	0.000	1	116.1104	8.191	7	114.3743	17.849	21	114.3583	26.128	25
474	474	610	0:SP3_SP3_SP3	C[5]	C[5]	B	4:4:4:1:	4:4:1:1:	3:3:4:2:	C[5]-4:C[5]-4:B-4:H-1:	P[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:C-2:	C[5](C[5]C[5]HH)(C[5]P[5]HH)(BC[6a]2C)(H)	C[5](P[5]C[6a]C[5]H)(C[5]C[5]BH)(H)2	B(C[6a]C[6a]2)2(C[5]C[5]2H)(CC)	C[5](C[5]C[5]HH)(C[5]P[5]HH)(BC[6a]2C)(H){1|C<3>,3|H<1>}	C[5](P[5]C[6a]C[5]H)(C[5]C[5]BH)(H)2{2|C<3>,4|H<1>}	B(C[6a]C[6a]2)2(C[5]C[5]2H)(CC)	112.1990	0.000	1	112.1990	0.000	1	112.1990	0.000	1	116.1104	8.191	7	114.3743	17.849	21	114.3583	26.128	25
474	474	610	0:SP3_SP3_SP3	C[5]	C[5]	B	4:4:4:1:	4:4:1:1:	3:3:4:2:	C[5]-4:C[5]-4:B-4:H-1:	P[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:O-2:	C[5](C[5]C[5]HH)(C[5]P[5]HH)(BC[6a]2O)(H)	C[5](P[5]C[6a]C[5]C)(C[5]C[5]BH)(H)2	B(C[6a]C[6a]2)2(C[5]C[5]2H)(OC)	C[5](C[5]C[5]HH)(C[5]P[5]HH)(BC[6a]2O)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](P[5]C[6a]C[5]C)(C[5]C[5]BH)(H)2{2|C<3>,4|H<1>}	B(C[6a]C[6a]2)2(C[5]C[5]2H)(OC)	112.8100	0.000	1	112.8100	0.000	1	112.8100	0.000	1	116.1104	8.191	7	114.3743	17.849	21	114.3583	26.128	25
474	474	610	0:SP3_SP3_SP3	C[5]	C[5]	B	4:4:4:1:	4:4:1:1:	3:3:4:3:	C[5]-4:B-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:N[6]-3:	C[5](C[5]C[5]N[6]H)(BC[6a]2N[6])(C[5]C[5]HH)(H)	C[5](C[5]C[5]BH)(C[5]C[5]HH)(H)2	B(C[6a]C[6a]2)2(C[5]C[5]2H)(N[6]C[6]2)	C[5](C[5]C[5]N[6]H)(BC[6a]2N[6])(C[5]C[5]HH)(H){2|C<4>,4|H<1>}	C[5](C[5]C[5]BH)(C[5]C[5]HH)(H)2{1|N<3>,3|H<1>}	B(C[6a]C[6a]2)2(C[5]C[5]2H)(N[6]C[6]2)	113.2120	0.000	1	113.2120	0.000	1	113.2120	0.000	1	113.2120	0.000	1	114.3743	17.849	21	114.3583	26.128	25
474	474	610	0:SP3_SP3_SP3	C[5]	C[5]	B	4:4:4:1:	4:4:3:1:	3:3:4:2:	C[5]-4:C[5]-4:B-4:H-1:	C[5]-4:C[5]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:C-2:	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(BC[6a]2C)(H)	C[5](C[5]C[5]BH)(C[5]C[5]HH)(N[6]C[6]2)(H)	B(C[6a]C[6a]2)2(C[5]C[5]2H)(CN)	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(BC[6a]2C)(H){2|C<4>,4|H<1>}	C[5](C[5]C[5]BH)(C[5]C[5]HH)(N[6]C[6]2)(H){2|C<4>,8|H<1>}	B(C[6a]C[6a]2)2(C[5]C[5]2H)(CN)	115.5330	0.000	1	115.5330	0.000	1	115.5330	0.000	1	115.5330	0.000	1	114.3743	17.849	21	114.3583	26.128	25
474	474	610	0:SP3_SP3_SP3	C[5]	C[5]	B	4:4:4:1:	4:4:3:1:	3:3:4:3:	C[5]-4:B-4:C[5]-4:H-1:	C[5]-4:C[5]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:N[6]-3:	C[5](C[5]C[5]N[6]H)(BC[6a]2N[6])(C[5]C[5]HH)(H)	C[5](C[5]C[5]BH)(C[5]C[5]HH)(N[6]C[6]2)(H)	B(C[6a]C[6a]2)2(C[5]C[5]2H)(N[6]C[6]2)	C[5](C[5]C[5]N[6]H)(BC[6a]2N[6])(C[5]C[5]HH)(H){2|C<4>,4|H<1>}	C[5](C[5]C[5]BH)(C[5]C[5]HH)(N[6]C[6]2)(H){2|C<4>,8|H<1>}	B(C[6a]C[6a]2)2(C[5]C[5]2H)(N[6]C[6]2)	118.1540	0.000	1	118.1540	0.000	1	118.1540	0.000	1	118.1540	0.000	1	114.3743	17.849	21	114.3583	26.128	25
474	474	610	0:SP3_SP3_SP3	C[5]	C[5]	B	4:4:4:1:	4:4:3:1:	4:3:3:1:	P[5]-4:C[5]-4:B-4:H-1:	C[5]-4:C[5]-4:B-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:H-1:	C[5](P[5]C[6a]2C[5])(C[5]C[5]BH)(BC[6a]2H)(H)	C[5](C[5]C[5]CH)(C[5]P[5]BH)(BC[6a]2)(H)	B(C[5]C[5]P[5]H)(C[6a]C[6a]2)2(H)	C[5](P[5]C[6a]2C[5])(C[5]C[5]BH)(BC[6a]2H)(H){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5]CH)(C[5]P[5]BH)(BC[6a]2)(H){2|C<3>,2|H<1>}	B(C[5]C[5]P[5]H)(C[6a]C[6a]2)2(H)	106.9955	4.226	2	106.9955	17.862	2	106.9955	17.862	2	106.9955	17.862	2	114.3743	17.849	21	114.3583	26.128	25
474	474	610	0:SP3_SP3_SP3	C[5]	C[5]	B	4:4:4:1:	4:4:4:1:	3:3:4:1:	C[5]-4:C[5]-4:B-4:H-1:	C[5]-4:C[5]-4:N[6]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:H-1:	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(BC[6a]2H)(H)	C[5](C[5]C[5]BH)(C[5]C[5]HH)(N[6]C[6]2H)(H)	B(C[6a]C[6a]2)2(C[5]C[5]2H)(H)	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(BC[6a]2H)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5]BH)(C[5]C[5]HH)(N[6]C[6]2H)(H){2|C<4>,8|H<1>}	B(C[6a]C[6a]2)2(C[5]C[5]2H)(H)	111.7420	0.000	1	111.7420	0.000	1	111.7420	0.000	1	111.7420	0.000	1	114.3743	17.849	21	114.3583	26.128	25
474	474	610	0:SP3_SP3_SP3	C[5]	C[5]	B	4:4:4:1:	4:4:4:1:	3:3:4:2:	C[5]-4:C[5]-4:B-4:H-1:	C[5]-4:C[5]-4:N[6]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:C-2:	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(BC[6a]2C)(H)	C[5](C[5]C[5]BH)(C[5]C[5]HH)(N[6]C[6]2H)(H)	B(C[6a]C[6a]2)2(C[5]C[5]2H)(CC)	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(BC[6a]2C)(H){2|C<4>,5|H<1>}	C[5](C[5]C[5]BH)(C[5]C[5]HH)(N[6]C[6]2H)(H){2|C<4>,8|H<1>}	B(C[6a]C[6a]2)2(C[5]C[5]2H)(CC)	113.5145	1.315	2	113.5145	1.728	2	113.5145	1.728	2	113.5145	1.728	2	114.3743	17.849	21	114.3583	26.128	25
474	474	618	0:SP3_SP2_SP3	C[5,6]	C[5]	B[6]	3:4:3:3:	4:4:1:1:	4:4:1:	C[5,6]-3:C[5]-4:B[6]-3:C-3:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:Cl-1:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(B[6]C[6]Cl)(CC[6a]C)	C[5](C[5,6]C[5,6]B[6]C)(C[5]C[5]HH)(H)2	B[6](C[5,6]C[5,6]C[5]C)(C[6]C[6a]B[6]C[5])(Cl)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(B[6]C[6]Cl)(CC[6a]C){1|B<3>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]B[6]C)(C[5]C[5]HH)(H)2{1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	B[6](C[5,6]C[5,6]C[5]C)(C[6]C[6a]B[6]C[5])(Cl){1|Cl<1>,2|H<1>,3|C<4>,4|C<3>}	115.5860	0.000	1	115.5860	0.000	1	115.5860	0.000	1	115.5860	0.000	1	115.5860	0.000	1	113.3890	18.578	3
474	474	618	0:SP3_SP2_SP3	C[5]	C[5]	B[6]	3:4:3:3:	4:4:4:4:	4:2:2:	N[5]-3:C[5]-4:B[6]-3:B[6]-3:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:O[6]-2:O[6]-2:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(B[6]O[6]2)2	C[5](C[5]B[6]2N[5])(C[5]C[5]HH)(CH3)2	B[6](C[5]B[6]C[5]N[5])(O[6]C[6])2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(B[6]O[6]2)2{2|C<3>,2|H<1>,6|C<4>}	C[5](C[5]B[6]2N[5])(C[5]C[5]HH)(CH3)2{1|C<3>,2|C<4>,4|O<2>}	B[6](C[5]B[6]C[5]N[5])(O[6]C[6])2{1|C<3>,2|O<2>,4|H<1>,5|C<4>}	112.2905	5.469	2	112.2905	29.915	2	112.2905	29.915	2	112.2905	29.915	2	112.2905	29.915	2	113.3890	18.578	3
474	474	622	0:SP3_SP2_SP3	C[5,3x6]	C[5]	O[6,6]	4:4:2:4:	4:4:1:1:	4:3:	C[5,6,6]-4:C[5,6,6]-4:O[6,6]-2:C[5]-4:	C[5,3x6]-4:C[5]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-3:	C[5,3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[6,6]C[5]H)(O[6,6]C[6,6])(C[5]C[5]HH)	C[5](C[5,3x6]C[5,6,6]2O[6,6])(C[5]C[5]HH)(H)2	O[6,6](C[5,3x6]C[5,6,6]2C[5])(C[6,6]C[3x6]O)	C[5,3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[6,6]C[5]H)(O[6,6]C[6,6])(C[5]C[5]HH){1|C<3>,1|O<1>,3|C<4>,8|H<1>}	C[5](C[5,3x6]C[5,6,6]2O[6,6])(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	O[6,6](C[5,3x6]C[5,6,6]2C[5])(C[6,6]C[3x6]O){4|H<1>,6|C<4>}	105.7330	0.000	1	105.7330	0.000	1	105.7330	0.000	1	105.7330	0.000	1	105.7330	0.000	1	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,4x6]	C[5,5,3x6]	O[6]	4:4:4:2:	4:4:4:2:	4:3:	C[5,5,3x6]-4:C[5,6,6]-4:C[3x6]-4:O[6]-2:	C[5,5,3x6]-4:C[5,4x6]-4:C[5,6]-4:O[5]-2:	C[5,4x6]-4:C[6,6a]-3:	C[5,4x6](C[5,5,3x6]C[5,5,3x6]C[5,6]O[5])(C[5,6,6]C[6,6]C[5]H)(C[3x6]C[6,6]C[6]H)(O[6]C[6,6a])	C[5,5,3x6](C[5,5,3x6]C[3x6]O[5,5]O[5,6])(C[5,4x6]C[5,6,6]C[3x6]O[6])(C[5,6]C[5,5,6]HH)(O[5]C[5])	O[6](C[5,4x6]C[5,5,3x6]C[5,6,6]C[3x6])(C[6,6a]C[6,6a]C[6a])	C[5,4x6](C[5,5,3x6]C[5,5,3x6]C[5,6]O[5])(C[5,6,6]C[6,6]C[5]H)(C[3x6]C[6,6]C[6]H)(O[6]C[6,6a]){1|O<1>,2|C<3>,3|O<2>,4|C<4>,5|H<1>}	C[5,5,3x6](C[5,5,3x6]C[3x6]O[5,5]O[5,6])(C[5,4x6]C[5,6,6]C[3x6]O[6])(C[5,6]C[5,5,6]HH)(O[5]C[5]){2|C<3>,4|H<1>,5|C<4>}	O[6](C[5,4x6]C[5,5,3x6]C[5,6,6]C[3x6])(C[6,6a]C[6,6a]C[6a]){1|O<2>,2|H<1>,3|C<3>,6|C<4>}	105.0840	0.000	1	105.0840	0.000	1	105.0840	0.000	1	105.0840	0.000	1	105.0840	0.000	1	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,4x6]	C[5,6,6]	O[6]	4:4:3:2:	4:3:2:4:	4:3:	C[5,6,6]-4:C[5,6,6]-4:C[3x6]-3:O[6]-2:	C[5,4x6]-4:C[6,6]-3:O[5]-2:C-4:	C[5,4x6]-4:C[6,6a]-3:	C[5,4x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[3x6]C[6,6]C[6])(O[6]C[6,6a])	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]O)(O[5]C[5])(CCHH)	O[6](C[5,4x6]C[5,6,6]2C[3x6])(C[6,6a]C[6,6a]C[6a])	C[5,4x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[3x6]C[6,6]C[6])(O[6]C[6,6a]){2|C<3>,2|O<1>,3|C<4>,3|H<1>}	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]O)(O[5]C[5])(CCHH){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	O[6](C[5,4x6]C[5,6,6]2C[3x6])(C[6,6a]C[6,6a]C[6a]){1|O<2>,2|H<1>,3|C<4>,5|C<3>}	109.0420	0.000	1	108.9640	0.012	2	108.9640	0.012	2	108.9640	0.012	2	109.8008	4.855	15	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,4x6]	C[5,6,6]	O[6]	4:4:3:2:	4:3:2:4:	4:3:	C[5,6,6]-4:C[5,6,6]-4:C[3x6]-3:O[6]-2:	C[5,4x6]-4:C[6,6]-3:O[5]-2:C-4:	C[5,4x6]-4:C[6,6a]-3:	C[5,4x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[3x6]C[6,6]C[6])(O[6]C[6,6a])	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]O)(O[5]C[5])(CCHH)	O[6](C[5,4x6]C[5,6,6]2C[3x6])(C[6,6a]C[6,6a]C[6a])	C[5,4x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[3x6]C[6,6]C[6])(O[6]C[6,6a]){2|C<3>,2|O<1>,3|C<4>,3|H<1>}	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]O)(O[5]C[5])(CCHH){2|H<1>,3|C<3>,3|C<4>}	O[6](C[5,4x6]C[5,6,6]2C[3x6])(C[6,6a]C[6,6a]C[6a]){1|O<2>,2|H<1>,3|C<4>,5|C<3>}	108.8860	0.000	1	108.9640	0.012	2	108.9640	0.012	2	108.9640	0.012	2	109.8008	4.855	15	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,4x6]	C[5,6,6]	O[6]	4:4:3:2:	4:4:4:1:	4:3:	C[5,6,6]-4:C[5,6,6]-4:C[3x6]-3:O[6]-2:	C[5,4x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,4x6]-4:C[6,6a]-3:	C[5,4x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[3x6]C[6,6]C[6])(O[6]C[6,6a])	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H)	O[6](C[5,4x6]C[5,6,6]2C[3x6])(C[6,6a]C[6,6a]C[6a])	C[5,4x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[3x6]C[6,6]C[6])(O[6]C[6,6a]){2|C<3>,2|O<1>,3|C<4>,3|H<1>}	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H){1|C<4>,1|H<1>,4|C<3>}	O[6](C[5,4x6]C[5,6,6]2C[3x6])(C[6,6a]C[6,6a]C[6a]){1|O<2>,2|H<1>,3|C<4>,5|C<3>}	109.1620	0.000	1	109.1830	0.001	2	109.1830	0.001	2	109.1830	0.001	2	109.8008	4.855	15	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,4x6]	C[5,6,6]	O[6]	4:4:3:2:	4:4:4:1:	4:3:	C[5,6,6]-4:C[5,6,6]-4:C[3x6]-3:O[6]-2:	C[5,4x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,4x6]-4:C[6,6a]-3:	C[5,4x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[3x6]C[6,6]C[6])(O[6]C[6,6a])	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H)	O[6](C[5,4x6]C[5,6,6]2C[3x6])(C[6,6a]C[6,6a]C[6a])	C[5,4x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[3x6]C[6,6]C[6])(O[6]C[6,6a]){2|C<3>,2|O<1>,3|C<4>,3|H<1>}	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H){1|C<4>,1|O<2>,4|C<3>}	O[6](C[5,4x6]C[5,6,6]2C[3x6])(C[6,6a]C[6,6a]C[6a]){1|O<2>,2|H<1>,3|C<4>,5|C<3>}	109.2040	0.000	1	109.1830	0.001	2	109.1830	0.001	2	109.1830	0.001	2	109.8008	4.855	15	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,4x6]	C[5,6,6]	O[6]	4:4:4:2:	4:3:2:4:	4:3:	C[3,3x6]-4:C[5,6,6]-4:C[5,6,6]-4:O[6]-2:	C[5,4x6]-4:C[6,6]-3:O[5]-2:C-4:	C[5,4x6]-4:C[6,6a]-3:	C[5,4x6](C[3,3x6]C[3,6,6]C[6]O[3])(C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(O[6]C[6,6a])	C[5,6,6](C[5,4x6]C[3,3x6]C[5,6,6]O[6])(C[6,6]C[3x6]O)(O[5]C[5])(CCHH)	O[6](C[5,4x6]C[3,3x6]C[5,6,6]2)(C[6,6a]C[6,6a]C[6a])	C[5,4x6](C[3,3x6]C[3,6,6]C[6]O[3])(C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(O[6]C[6,6a]){2|C<3>,2|O<1>,3|C<4>,3|H<1>}	C[5,6,6](C[5,4x6]C[3,3x6]C[5,6,6]O[6])(C[6,6]C[3x6]O)(O[5]C[5])(CCHH){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	O[6](C[5,4x6]C[3,3x6]C[5,6,6]2)(C[6,6a]C[6,6a]C[6a]){2|H<1>,2|O<2>,4|C<3>,4|C<4>}	107.3605	0.418	2	107.3605	0.175	2	107.3605	0.175	2	107.5506	0.266	5	109.8008	4.855	15	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,4x6]	C[5,6,6]	O[6]	4:4:4:2:	4:3:2:4:	4:3:	C[5,6,6]-4:C[5,6,6]-4:C[3x6]-4:O[6]-2:	C[5,4x6]-4:C[6,6]-3:O[5]-2:C-4:	C[5,4x6]-4:C[6,6a]-3:	C[5,4x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[3x6]C[6,6]C[6]H)(O[6]C[6,6a])	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]O)(O[5]C[5])(CCHH)	O[6](C[5,4x6]C[5,6,6]2C[3x6])(C[6,6a]C[6,6a]C[6a])	C[5,4x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[3x6]C[6,6]C[6]H)(O[6]C[6,6a]){1|N<3>,2|C<3>,2|O<1>,3|C<4>,3|H<1>}	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]O)(O[5]C[5])(CCHH){2|C<3>,3|H<1>,4|C<4>}	O[6](C[5,4x6]C[5,6,6]2C[3x6])(C[6,6a]C[6,6a]C[6a]){1|O<2>,3|H<1>,4|C<3>,4|C<4>}	107.4640	0.000	1	107.6773	0.385	3	107.6773	0.385	3	107.5506	0.266	5	109.8008	4.855	15	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,4x6]	C[5,6,6]	O[6]	4:4:4:2:	4:3:2:4:	4:3:	C[5,6,6]-4:C[5,6,6]-4:C[3x6]-4:O[6]-2:	C[5,4x6]-4:C[6,6]-3:O[5]-2:C-4:	C[5,4x6]-4:C[6,6a]-3:	C[5,4x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[3x6]C[6,6]C[6]H)(O[6]C[6,6a])	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]O)(O[5]C[5])(CCHH)	O[6](C[5,4x6]C[5,6,6]2C[3x6])(C[6,6a]C[6,6a]C[6a])	C[5,4x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[3x6]C[6,6]C[6]H)(O[6]C[6,6a]){1|O<2>,2|C<3>,2|O<1>,3|C<4>,3|H<1>}	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]O)(O[5]C[5])(CCHH){2|C<3>,3|H<1>,4|C<4>}	O[6](C[5,4x6]C[5,6,6]2C[3x6])(C[6,6a]C[6,6a]C[6a]){1|O<2>,3|H<1>,4|C<3>,4|C<4>}	107.7840	0.837	2	107.6773	0.385	3	107.6773	0.385	3	107.5506	0.266	5	109.8008	4.855	15	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,4x6]	C[5,6,6]	O[6]	4:4:4:2:	4:4:4:1:	4:3:	C[3,3x6]-4:C[5,6,6]-4:C[5,6,6]-4:O[6]-2:	C[5,4x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,4x6]-4:C[6,6a]-3:	C[5,4x6](C[3,3x6]C[3,6,6]C[6]O[3])(C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(O[6]C[6,6a])	C[5,6,6](C[5,4x6]C[3,3x6]C[5,6,6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H)	O[6](C[5,4x6]C[3,3x6]C[5,6,6]2)(C[6,6a]C[6,6a]C[6a])	C[5,4x6](C[3,3x6]C[3,6,6]C[6]O[3])(C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(O[6]C[6,6a]){2|C<3>,2|O<1>,3|C<4>,3|H<1>}	C[5,6,6](C[5,4x6]C[3,3x6]C[5,6,6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	O[6](C[5,4x6]C[3,3x6]C[5,6,6]2)(C[6,6a]C[6,6a]C[6a]){2|H<1>,2|O<2>,4|C<3>,4|C<4>}	112.0800	0.074	2	112.0800	0.005	2	112.0800	0.005	2	112.1608	1.197	6	109.8008	4.855	15	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,4x6]	C[5,6,6]	O[6]	4:4:4:2:	4:4:4:1:	4:3:	C[5,5,3x6]-4:C[5,6,6]-4:C[3x6]-4:O[6]-2:	C[5,4x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,4x6]-4:C[6,6a]-3:	C[5,4x6](C[5,5,3x6]C[5,5,3x6]C[5,6]O[5])(C[5,6,6]C[6,6]C[5]H)(C[3x6]C[6,6]C[6]H)(O[6]C[6,6a])	C[5,6,6](C[5,4x6]C[5,5,3x6]C[3x6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H)	O[6](C[5,4x6]C[5,5,3x6]C[5,6,6]C[3x6])(C[6,6a]C[6,6a]C[6a])	C[5,4x6](C[5,5,3x6]C[5,5,3x6]C[5,6]O[5])(C[5,6,6]C[6,6]C[5]H)(C[3x6]C[6,6]C[6]H)(O[6]C[6,6a]){1|O<1>,2|C<3>,3|O<2>,4|C<4>,5|H<1>}	C[5,6,6](C[5,4x6]C[5,5,3x6]C[3x6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H){2|C<3>,2|H<1>,3|C<4>}	O[6](C[5,4x6]C[5,5,3x6]C[5,6,6]C[3x6])(C[6,6a]C[6,6a]C[6a]){1|O<2>,2|H<1>,3|C<3>,6|C<4>}	114.3100	0.000	1	114.3100	0.000	1	114.3100	0.000	1	112.1608	1.197	6	109.8008	4.855	15	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,4x6]	C[5,6,6]	O[6]	4:4:4:2:	4:4:4:1:	4:3:	C[5,6,6]-4:C[5,6,6]-4:C[3x6]-4:O[6]-2:	C[5,4x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,4x6]-4:C[6,6a]-3:	C[5,4x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[3x6]C[6,6]C[6]H)(O[6]C[6,6a])	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H)	O[6](C[5,4x6]C[5,6,6]2C[3x6])(C[6,6a]C[6,6a]C[6a])	C[5,4x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[3x6]C[6,6]C[6]H)(O[6]C[6,6a]){1|N<3>,2|C<3>,2|O<1>,3|C<4>,3|H<1>}	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H){2|C<4>,2|H<1>,3|C<3>}	O[6](C[5,4x6]C[5,6,6]2C[3x6])(C[6,6a]C[6,6a]C[6a]){1|O<2>,3|H<1>,4|C<3>,4|C<4>}	111.5990	0.000	1	111.4983	0.016	3	111.4983	0.016	3	112.1608	1.197	6	109.8008	4.855	15	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,4x6]	C[5,6,6]	O[6]	4:4:4:2:	4:4:4:1:	4:3:	C[5,6,6]-4:C[5,6,6]-4:C[3x6]-4:O[6]-2:	C[5,4x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,4x6]-4:C[6,6a]-3:	C[5,4x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[3x6]C[6,6]C[6]H)(O[6]C[6,6a])	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H)	O[6](C[5,4x6]C[5,6,6]2C[3x6])(C[6,6a]C[6,6a]C[6a])	C[5,4x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[3x6]C[6,6]C[6]H)(O[6]C[6,6a]){1|O<2>,2|C<3>,2|O<1>,3|C<4>,3|H<1>}	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H){2|C<4>,2|H<1>,3|C<3>}	O[6](C[5,4x6]C[5,6,6]2C[3x6])(C[6,6a]C[6,6a]C[6a]){1|O<2>,3|H<1>,4|C<3>,4|C<4>}	111.4480	0.132	2	111.4983	0.016	3	111.4983	0.016	3	112.1608	1.197	6	109.8008	4.855	15	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,5,6,6]	C[5,5,6]	O[6]	4:4:3:2:	4:4:2:1:	4:3:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-3:O[6]-2:	C[5,5,6,6]-4:C[5,5,6,6]-4:O[5]-2:H-1:	C[5,5,6,6]-4:C[6,6a]-3:	C[5,5,6,6](C[5,5,6]C[5,5,6,6]O[5]H)(C[5,5,6]C[5,5,6]C[5,6]O)(C[5,6]C[5]C[6])(O[6]C[6,6a])	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]O[6])(C[5,5,6,6]C[5,5,6]O[5,6]C[6])(O[5]C[5])(H)	O[6](C[5,5,6,6]C[5,5,6]2C[5,6])(C[6,6a]C[6,6a]C[6a])	C[5,5,6,6](C[5,5,6]C[5,5,6,6]O[5]H)(C[5,5,6]C[5,5,6]C[5,6]O)(C[5,6]C[5]C[6])(O[6]C[6,6a]){1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]O[6])(C[5,5,6,6]C[5,5,6]O[5,6]C[6])(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	O[6](C[5,5,6,6]C[5,5,6]2C[5,6])(C[6,6a]C[6,6a]C[6a]){2|C<4>,2|H<1>,2|O<2>,5|C<3>}	114.9160	0.000	1	114.9160	0.000	1	114.9160	0.000	1	114.9160	0.000	1	112.6250	10.497	2	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,5,6,6]	C[5,5,6]	O[6]	4:4:3:2:	4:4:3:2:	4:3:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-3:O[6]-2:	C[5,5,6,6]-4:C[5,5,6]-4:C[5,6]-3:O-2:	C[5,5,6,6]-4:C[6,6a]-3:	C[5,5,6,6](C[5,5,6]C[5,5,6,6]O[5]H)(C[5,5,6]C[5,5,6]C[5,6]O)(C[5,6]C[5]C[6])(O[6]C[6,6a])	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]O[6])(C[5,5,6]C[5,5,6,6]C[6,6]H)(C[5,6]O[5,6]O)(OH)	O[6](C[5,5,6,6]C[5,5,6]2C[5,6])(C[6,6a]C[6,6a]C[6a])	C[5,5,6,6](C[5,5,6]C[5,5,6,6]O[5]H)(C[5,5,6]C[5,5,6]C[5,6]O)(C[5,6]C[5]C[6])(O[6]C[6,6a]){1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]O[6])(C[5,5,6]C[5,5,6,6]C[6,6]H)(C[5,6]O[5,6]O)(OH){1|H<1>,1|O<2>,3|C<3>,4|C<4>}	O[6](C[5,5,6,6]C[5,5,6]2C[5,6])(C[6,6a]C[6,6a]C[6a]){2|C<4>,2|H<1>,2|O<2>,5|C<3>}	110.3340	0.000	1	110.3340	0.000	1	110.3340	0.000	1	110.3340	0.000	1	112.6250	10.497	2	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,5,6]	C[5]	O[6]	4:4:4:2:	4:3:1:1:	4:3:	C[5,5,6]-4:C[5]-4:C[5]-4:O[6]-2:	C[5,5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,5,6]-4:C[6,6]-3:	C[5,5,6](C[5,5,6]C[5,6a]C[5]O[6])(C[5]C[5,6a]HH)(C[5]C[5]HH)(O[6]C[6,6])	C[5](C[5,5,6]C[5,5,6]C[5]O[6])(C[5,6a]C[5,6a]C[6a])(H)2	O[6](C[5,5,6]C[5,5,6]C[5]2)(C[6,6]C[6,6]C[6])	C[5,5,6](C[5,5,6]C[5,6a]C[5]O[6])(C[5]C[5,6a]HH)(C[5]C[5]HH)(O[6]C[6,6]){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,5,6]C[5,5,6]C[5]O[6])(C[5,6a]C[5,6a]C[6a])(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	O[6](C[5,5,6]C[5,5,6]C[5]2)(C[6,6]C[6,6]C[6]){2|O<2>,3|C<3>,4|C<4>,4|H<1>}	106.4290	0.000	1	106.4290	0.000	1	106.4290	0.000	1	106.4290	0.000	1	109.0260	13.489	2	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,5,6]	C[5]	O[6]	4:4:4:2:	4:4:1:1:	4:3:	C[5,5,6]-4:C[5]-4:C[5]-4:O[6]-2:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[6,6]-3:	C[5,5,6](C[5,5,6]C[5,6a]C[5]O[6])(C[5]C[5,6a]HH)(C[5]C[5]HH)(O[6]C[6,6])	C[5](C[5,5,6]C[5,5,6]C[5]O[6])(C[5]C[5]HH)(H)2	O[6](C[5,5,6]C[5,5,6]C[5]2)(C[6,6]C[6,6]C[6])	C[5,5,6](C[5,5,6]C[5,6a]C[5]O[6])(C[5]C[5,6a]HH)(C[5]C[5]HH)(O[6]C[6,6]){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,5,6]C[5,5,6]C[5]O[6])(C[5]C[5]HH)(H)2{1|O<2>,3|C<3>,4|H<1>}	O[6](C[5,5,6]C[5,5,6]C[5]2)(C[6,6]C[6,6]C[6]){2|O<2>,3|C<3>,4|C<4>,4|H<1>}	111.6230	0.000	1	111.6230	0.000	1	111.6230	0.000	1	111.6230	0.000	1	109.0260	13.489	2	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6,6]	C[3x5]	O[6]	4:4:4:2:	4:4:3:2:	4:3:	C[3x5]-4:C[5,6,6]-4:C[6]-4:O[6]-2:	C[5,6,6]-4:C[3x5]-4:C[5]-3:O[5]-2:	C[5,6,6]-4:C[6]-3:	C[5,6,6](C[3x5]C[3x5]C[5]O[5])(C[5,6,6]C[5,6]C[6]O)(C[6]C[6]HO)(O[6]C[6])	C[3x5](C[5,6,6]C[5,6,6]C[6]O[6])(C[3x5]C[5,6]C[5]O[5])(C[5]C[5]C)(O[5]B[5])	O[6](C[5,6,6]C[5,6,6]C[3x5]C[6])(C[6]C[6]O)	C[5,6,6](C[3x5]C[3x5]C[5]O[5])(C[5,6,6]C[5,6]C[6]O)(C[6]C[6]HO)(O[6]C[6]){1|B<3>,1|C<3>,1|O<1>,1|O<2>,3|H<1>,6|C<4>}	C[3x5](C[5,6,6]C[5,6,6]C[6]O[6])(C[3x5]C[5,6]C[5]O[5])(C[5]C[5]C)(O[5]B[5]){2|C<3>,2|H<1>,3|O<2>,5|C<4>}	O[6](C[5,6,6]C[5,6,6]C[3x5]C[6])(C[6]C[6]O){1|C<3>,3|H<1>,3|O<2>,4|C<4>}	106.8030	0.000	1	106.8030	0.000	1	106.8030	0.000	1	106.8030	0.000	1	106.8030	0.000	1	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6,6]	C[5,5,6]	O[6]	4:3:2:1:	4:4:4:1:	4:3:	C[5,5,6]-4:C[5,6,6]-3:O[6]-2:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6]-3:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]N[6])(O[6]C[6])(H)	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	O[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]O)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]N[6])(O[6]C[6])(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	O[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]O){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	115.1410	0.000	1	115.0054	0.329	14	115.0054	0.329	14	115.0054	0.329	14	114.6698	1.953	39	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6,6]	C[5,5,6]	O[6]	4:3:2:1:	4:4:4:1:	4:3:	C[5,5,6]-4:C[5,6,6]-3:O[6]-2:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6]-3:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]N[6])(O[6]C[6])(H)	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	O[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]O)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]N[6])(O[6]C[6])(H){1|O<1>,2|H<1>,5|C<4>}	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	O[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]O){1|N<2>,2|H<1>,4|C<4>}	115.0405	0.598	12	115.0054	0.329	14	115.0054	0.329	14	115.0054	0.329	14	114.6698	1.953	39	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6,6]	C[5,5,6]	O[6]	4:3:2:1:	4:4:4:1:	4:3:	C[5,5,6]-4:C[5,6,6]-3:O[6]-2:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6]-3:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]N[6])(O[6]C[6])(H)	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	O[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]O)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]N[6])(O[6]C[6])(H){1|O<1>,2|H<1>,5|C<4>}	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	O[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]O){1|N<2>,3|C<4>,3|H<1>}	114.4480	0.000	1	115.0054	0.329	14	115.0054	0.329	14	115.0054	0.329	14	114.6698	1.953	39	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6,6]	C[5,5,6]	O[6]	4:3:2:1:	4:4:4:4:	4:3:	C[5,5,6]-4:C[5,6,6]-3:O[6]-2:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6,6]-4:C[6]-3:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]N[6])(O[6]C[6])(H)	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	O[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]O)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]N[6])(O[6]C[6])(H){1|O<1>,3|H<1>,4|C<4>}	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(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>}	O[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]O){1|H<1>,1|N<2>,5|C<4>}	114.7019	0.675	17	114.7793	0.449	20	114.7793	0.449	20	114.7793	0.449	20	114.6698	1.953	39	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6,6]	C[5,5,6]	O[6]	4:3:2:1:	4:4:4:4:	4:3:	C[5,5,6]-4:C[5,6,6]-3:O[6]-2:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6,6]-4:C[6]-3:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]N[6])(O[6]C[6])(H)	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	O[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]O)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]N[6])(O[6]C[6])(H){1|O<1>,3|H<1>,4|C<4>}	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(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>}	O[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]O){1|N<2>,6|C<4>}	115.2177	0.531	3	114.7793	0.449	20	114.7793	0.449	20	114.7793	0.449	20	114.6698	1.953	39	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6,6]	C[5,5,6]	O[6]	4:4:2:1:	4:3:4:1:	4:3:	C[5,6,6]-4:C[5,5,6]-4:O[6]-2:H-1:	C[5,6,6]-4:N[5,5]-3:C[5,6]-4:H-1:	C[5,6,6]-4:C[6]-3:	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,6]N[5,5]H)(O[6]C[6])(H)	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(H)	O[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6,6a]O)	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,6]N[5,5]H)(O[6]C[6])(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	O[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6,6a]O){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	110.0190	0.000	1	110.0190	0.000	1	110.0190	0.000	1	110.0190	0.000	1	114.6698	1.953	39	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6,6]	C[5,5,6]	O[6]	4:4:2:1:	4:4:4:1:	4:3:	C[5,5,6]-4:C[5,6,6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6,6a]-3:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]N[6]H)(O[6]C[6,6a])(H)	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	O[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]N[6]H)(O[6]C[6,6a])(H){1|C<4>,1|S<4>,2|C<3>,5|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<3>,4|H<1>}	O[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a]){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	119.0450	0.000	1	119.0450	0.000	1	119.0450	0.000	1	119.0450	0.000	1	114.6698	1.953	39	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6,6]	C[5,5,6]	O[6]	4:4:2:1:	4:4:4:4:	4:3:	C[5,5,6,6]-4:C[5,5,6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6,6]-4:C[6]-3:	C[5,6,6](C[5,5,6,6]C[5,5,6]N[5,6]C[5])(C[5,5,6]C[5,5]C[5,6]C)(O[6]C[6])(H)	C[5,5,6](C[5,6,6]C[5,5,6,6]O[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	O[6](C[5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[5,6]O)	C[5,6,6](C[5,5,6,6]C[5,5,6]N[5,6]C[5])(C[5,5,6]C[5,5]C[5,6]C)(O[6]C[6])(H){1|C<3>,1|O<1>,5|C<4>,5|H<1>}	C[5,5,6](C[5,6,6]C[5,5,6,6]O[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	O[6](C[5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[5,6]O){1|H<1>,1|N<3>,6|C<4>}	112.8810	0.000	1	113.2745	0.310	2	113.2745	0.310	2	112.4653	2.119	3	114.6698	1.953	39	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6,6]	C[5,5,6]	O[6]	4:4:2:1:	4:4:4:4:	4:3:	C[5,5,6,6]-4:C[5,5,6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6,6]-4:C[6]-3:	C[5,6,6](C[5,5,6,6]C[5,5,6]N[5,6]C[5])(C[5,5,6]C[5,5]C[5,6]C)(O[6]C[6])(H)	C[5,5,6](C[5,6,6]C[5,5,6,6]O[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	O[6](C[5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[5,6]O)	C[5,6,6](C[5,5,6,6]C[5,5,6]N[5,6]C[5])(C[5,5,6]C[5,5]C[5,6]C)(O[6]C[6])(H){1|N<3>,1|O<1>,5|C<4>,5|H<1>}	C[5,5,6](C[5,6,6]C[5,5,6,6]O[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	O[6](C[5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[5,6]O){1|H<1>,1|N<3>,6|C<4>}	113.6680	0.000	1	113.2745	0.310	2	113.2745	0.310	2	112.4653	2.119	3	114.6698	1.953	39	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6,6]	C[5,5,6]	O[6]	4:4:2:1:	4:4:4:4:	4:3:	C[5,5,6]-4:C[5,6,6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6,6]-4:C[6]-3:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]C[6]H)(O[6]C[6])(H)	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	O[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]O[6]O)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]C[6]H)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|C<3>,1|C<4>,4|H<1>}	O[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]O[6]O){1|H<1>,5|C<4>}	110.8470	0.000	1	110.8470	0.000	1	110.8470	0.000	1	112.4653	2.119	3	114.6698	1.953	39	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6,6]	C[5,5]	O[6]	4:4:4:2:	4:4:3:2:	4:3:	C[5,6,6]-4:C[5,5]-4:C[6]-4:O[6]-2:	C[5,6,6]-4:C[5,5]-4:C[5]-3:O-2:	C[5,6,6]-4:C[6]-3:	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[5,5]C[5,5]C[5]O)(C[6]C[6]HO)(O[6]C[6])	C[5,5](C[5,6,6]C[5,6,6]C[6]O[6])(C[5,5]C[5,6]C[5]O)(C[5]C[5]C)(OH)	O[6](C[5,6,6]C[5,6,6]C[5,5]C[6])(C[6]C[6]O)	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[5,5]C[5,5]C[5]O)(C[6]C[6]HO)(O[6]C[6]){1|C<3>,1|O<1>,1|O<2>,3|H<1>,6|C<4>}	C[5,5](C[5,6,6]C[5,6,6]C[6]O[6])(C[5,5]C[5,6]C[5]O)(C[5]C[5]C)(OH){1|C<3>,2|H<1>,3|O<2>,5|C<4>}	O[6](C[5,6,6]C[5,6,6]C[5,5]C[6])(C[6]C[6]O){1|C<3>,3|H<1>,3|O<2>,4|C<4>}	108.3100	0.000	1	108.3100	0.000	1	108.3100	0.000	1	108.3100	0.000	1	108.3100	0.000	1	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6,6]	C[5,6]	O[6]	4:2:4:2:	4:4:4:1:	4:3:	C[5,6]-4:O[6,6]-2:C[5]-4:O[6]-2:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-3:	C[5,6,6](C[5,6]C[5]C[6]H)(O[6,6]C[3x6])(C[5]C[5]HH)(O[6]C[6])	C[5,6](C[5,6,6]O[6,6]C[5]O[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	O[6](C[5,6,6]C[5,6]O[6,6]C[5])(C[6]C[6,6]O)	C[5,6,6](C[5,6]C[5]C[6]H)(O[6,6]C[3x6])(C[5]C[5]HH)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[5,6](C[5,6,6]O[6,6]C[5]O[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	O[6](C[5,6,6]C[5,6]O[6,6]C[5])(C[6]C[6,6]O){1|C<3>,3|H<1>,4|C<4>}	110.3960	0.000	1	110.3960	0.000	1	110.3960	0.000	1	110.3960	0.000	1	108.7918	8.455	10	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6,6]	C[5,6]	O[6]	4:3:4:2:	4:4:3:1:	4:3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-4:O[6]-2:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6]C[5]2)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(O[6]C[5,6])	C[5,6](C[5,6,6]C[5,6,6]C[5,6a]O[6])(C[6]C[5,6]C[5a]H)(C[5]C[5,6a]O)(H)	O[6](C[5,6,6]C[5,6,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[5,6])	C[5,6,6](C[5,6,6]C[5,6,6]C[5]2)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(O[6]C[5,6]){1|C<4>,2|H<1>,3|O<1>,8|C<3>}	C[5,6](C[5,6,6]C[5,6,6]C[5,6a]O[6])(C[6]C[5,6]C[5a]H)(C[5]C[5,6a]O)(H){1|C<4>,1|H<1>,1|N<2>,7|C<3>}	O[6](C[5,6,6]C[5,6,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[5,6]){1|H<1>,2|C<4>,8|C<3>}	110.8060	0.699	2	110.8060	0.488	2	110.8060	0.488	2	110.8060	0.488	2	108.7918	8.455	10	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6,6]	C[5,6]	O[6]	4:3:4:2:	4:4:3:4:	4:3:	C[5,6]-4:C[6,6]-3:C[5]-4:O[6]-2:	C[5,6,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6,6]-4:C[6]-3:	C[5,6,6](C[5,6]C[5]C[6]C)(C[6,6]C[6]2)(C[5]O[5]HH)(O[6]C[6])	C[5,6](C[5,6,6]C[6,6]C[5]O[6])(C[6]C[6]HH)(C[5]O[5]O)(CH3)	O[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[5]C[6])	C[5,6,6](C[5,6]C[5]C[6]C)(C[6,6]C[6]2)(C[5]O[5]HH)(O[6]C[6]){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[5,6](C[5,6,6]C[6,6]C[5]O[6])(C[6]C[6]HH)(C[5]O[5]O)(CH3){3|C<3>,4|H<1>}	O[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[5]C[6]){1|O<2>,2|C<4>,3|H<1>,5|C<3>}	106.0260	0.000	1	106.0260	0.000	1	106.0260	0.000	1	106.0260	0.000	1	108.7918	8.455	10	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6,6]	C[5,6]	O[6]	4:4:2:1:	4:4:2:1:	4:3:	C[5,5,6,6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[5,5,6]-4:S-2:H-1:	C[5,6,6]-4:C[6]-3:	C[5,6,6](C[5,5,6,6]C[5,6,6]O[5,5]C)(C[5,6]C[5,5,6]HS)(O[6]C[6])(H)	C[5,6](C[5,6,6]C[5,5,6,6]O[6]H)(C[5,5,6]C[5,6]O[5,5]H)(SC[6a])(H)	O[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]O[6]O)	C[5,6,6](C[5,5,6,6]C[5,6,6]O[5,5]C)(C[5,6]C[5,5,6]HS)(O[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6](C[5,6,6]C[5,5,6,6]O[6]H)(C[5,5,6]C[5,6]O[5,5]H)(SC[6a])(H){1|C<3>,2|C<4>,2|F<1>}	O[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]O[6]O){1|H<1>,1|O<2>,1|S<2>,3|C<4>}	112.5910	0.000	1	112.5910	0.000	1	112.5910	0.000	1	112.5910	0.000	1	108.7918	8.455	10	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6,6]	C[5,6]	O[6]	4:4:2:2:	4:4:3:1:	4:3:	C[5,6,6]-4:C[5,6]-4:O[6]-2:O-2:	C[5,6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6]-3:	C[5,6,6](C[5,6,6]C[6]2O[5])(C[5,6]C[5,6]C[5]H)(O[6]C[6])(OH)	C[5,6](C[5,6,6]C[5,6,6]O[6]O)(C[5,6]C[5]C[6]O[5])(C[5]O[5]O)(H)	O[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]O)	C[5,6,6](C[5,6,6]C[6]2O[5])(C[5,6]C[5,6]C[5]H)(O[6]C[6])(OH){1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[5,6](C[5,6,6]C[5,6,6]O[6]O)(C[5,6]C[5]C[6]O[5])(C[5]O[5]O)(H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	O[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	104.3710	0.000	1	104.3710	0.000	1	104.3710	0.000	1	104.3710	0.000	1	108.7918	8.455	10	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6,6]	C[5,6]	O[6]	4:4:2:3:	4:4:1:1:	4:3:	C[5,5,6,6]-4:C[5,6]-4:O[6]-2:C-3:	C[5,6,6]-4:C[5,5,6]-4:F-1:F-1:	C[5,6,6]-4:C[6]-3:	C[5,6,6](C[5,5,6,6]C[5,6,6]O[5,5]C)(C[5,6]C[5,5,6]FF)(O[6]C[6])(COO)	C[5,6](C[5,6,6]C[5,5,6,6]O[6]C)(C[5,5,6]C[5,6]O[5,5]H)(F)2	O[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]O[6]O)	C[5,6,6](C[5,5,6,6]C[5,6,6]O[5,5]C)(C[5,6]C[5,5,6]FF)(O[6]C[6])(COO){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,6](C[5,6,6]C[5,5,6,6]O[6]C)(C[5,5,6]C[5,6]O[5,5]H)(F)2{1|C<3>,1|H<1>,1|S<2>,2|C<4>}	O[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]O[6]O){1|O<2>,2|F<1>,3|C<4>}	111.7890	0.000	1	111.7890	0.000	1	111.7890	0.000	1	111.7890	0.000	1	108.7918	8.455	10	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6,6]	C[5,6]	O[6]	4:4:4:2:	4:4:3:4:	4:3:	C[5,6]-4:C[6,6]-4:C[5]-4:O[6]-2:	C[5,6,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6,6]-4:C[6]-3:	C[5,6,6](C[5,6]C[5]C[6]C)(C[6,6]C[6]2H)(C[5]O[5]HH)(O[6]C[6])	C[5,6](C[5,6,6]C[6,6]C[5]O[6])(C[6]C[6]HH)(C[5]O[5]O)(CH3)	O[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[5a]C[6])	C[5,6,6](C[5,6]C[5]C[6]C)(C[6,6]C[6]2H)(C[5]O[5]HH)(O[6]C[6]){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]O[6])(C[6]C[6]HH)(C[5]O[5]O)(CH3){1|C<4>,2|C<3>,5|H<1>}	O[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[5a]C[6]){1|O<2>,3|C<4>,4|C<3>,4|H<1>}	107.9665	0.220	2	107.9665	0.048	2	107.9665	0.048	2	107.9665	0.048	2	108.7918	8.455	10	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6,6]	C[5,6]	O[6]	4:4:4:2:	4:4:4:1:	4:3:	C[5,6]-4:C[6,6]-4:C[5]-4:O[6]-2:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-3:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[5]C[5]HH)(O[6]C[6])	C[5,6](C[5,6,6]C[6,6]C[5]O[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	O[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]O)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[5]C[5]HH)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,8|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]O[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]O){1|C<3>,4|C<4>,6|H<1>}	105.2000	0.000	1	105.2000	0.000	1	105.2000	0.000	1	105.2000	0.000	1	108.7918	8.455	10	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6,6]	C[5]	O[6]	4:2:4:2:	4:4:1:1:	4:3:	C[5,6]-4:O[6,6]-2:C[5]-4:O[6]-2:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[6]-3:	C[5,6,6](C[5,6]C[5]C[6]H)(O[6,6]C[3x6])(C[5]C[5]HH)(O[6]C[6])	C[5](C[5,6,6]C[5,6]O[6,6]O[6])(C[5]C[5]HH)(H)2	O[6](C[5,6,6]C[5,6]O[6,6]C[5])(C[6]C[6,6]O)	C[5,6,6](C[5,6]C[5]C[6]H)(O[6,6]C[3x6])(C[5]C[5]HH)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[5](C[5,6,6]C[5,6]O[6,6]O[6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	O[6](C[5,6,6]C[5,6]O[6,6]C[5])(C[6]C[6,6]O){1|C<3>,3|H<1>,4|C<4>}	108.2000	0.000	1	108.2000	0.000	1	108.2000	0.000	1	108.2000	0.000	1	105.8553	6.629	14	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6,6]	C[5]	O[6]	4:2:4:3:	4:4:1:1:	4:3:	C[5,6,6]-4:O[6]-2:C[5]-4:N[6]-3:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[6,6a]-3:	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(O[6]C[6,6a])(C[5]C[5]HH)(N[6]C[6]C)	C[5](C[5,6,6]C[5,6,6]N[6]O[6])(C[5]C[5]HH)(H)2	O[6](C[5,6,6]C[5,6,6]C[5]N[6])(C[6,6a]C[6,6a]C[6a])	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(O[6]C[6,6a])(C[5]C[5]HH)(N[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5](C[5,6,6]C[5,6,6]N[6]O[6])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	O[6](C[5,6,6]C[5,6,6]C[5]N[6])(C[6,6a]C[6,6a]C[6a]){3|C<3>,4|C<4>,4|H<1>}	104.2640	0.000	1	104.2703	0.097	9	104.2703	0.097	9	104.2703	0.097	9	105.8553	6.629	14	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6,6]	C[5]	O[6]	4:2:4:3:	4:4:1:1:	4:3:	C[5,6,6]-4:O[6]-2:C[5]-4:N[6]-3:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[6,6a]-3:	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(O[6]C[6,6a])(C[5]C[5]HH)(N[6]C[6]C)	C[5](C[5,6,6]C[5,6,6]N[6]O[6])(C[5]C[5]HH)(H)2	O[6](C[5,6,6]C[5,6,6]C[5]N[6])(C[6,6a]C[6,6a]C[6a])	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(O[6]C[6,6a])(C[5]C[5]HH)(N[6]C[6]C){1|O<1>,3|C<3>,5|H<1>}	C[5](C[5,6,6]C[5,6,6]N[6]O[6])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	O[6](C[5,6,6]C[5,6,6]C[5]N[6])(C[6,6a]C[6,6a]C[6a]){3|C<3>,4|C<4>,4|H<1>}	104.2711	0.332	8	104.2703	0.097	9	104.2703	0.097	9	104.2703	0.097	9	105.8553	6.629	14	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6,6]	C[5]	O[6]	4:3:4:2:	4:2:1:1:	4:3:	C[5,6]-4:C[6,6]-3:C[5]-4:O[6]-2:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6,6]-4:C[6]-3:	C[5,6,6](C[5,6]C[5]C[6]C)(C[6,6]C[6]2)(C[5]O[5]HH)(O[6]C[6])	C[5](C[5,6,6]C[5,6]C[6,6]O[6])(O[5]C[5])(H)2	O[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[5]C[6])	C[5,6,6](C[5,6]C[5]C[6]C)(C[6,6]C[6]2)(C[5]O[5]HH)(O[6]C[6]){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[5](C[5,6,6]C[5,6]C[6,6]O[6])(O[5]C[5])(H)2{1|O<1>,2|C<4>,3|C<3>}	O[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[5]C[6]){1|O<2>,2|C<4>,3|H<1>,5|C<3>}	107.6040	0.000	1	107.6040	0.000	1	107.6040	0.000	1	107.6040	0.000	1	105.8553	6.629	14	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6,6]	C[5]	O[6]	4:4:4:2:	4:2:1:1:	4:3:	C[5,6]-4:C[6,6]-4:C[5]-4:O[6]-2:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6,6]-4:C[6]-3:	C[5,6,6](C[5,6]C[5]C[6]C)(C[6,6]C[6]2H)(C[5]O[5]HH)(O[6]C[6])	C[5](C[5,6,6]C[5,6]C[6,6]O[6])(O[5]C[5])(H)2	O[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[5a]C[6])	C[5,6,6](C[5,6]C[5]C[6]C)(C[6,6]C[6]2H)(C[5]O[5]HH)(O[6]C[6]){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]O[6])(O[5]C[5])(H)2{1|H<1>,1|O<1>,2|C<3>,3|C<4>}	O[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[5a]C[6]){1|O<2>,3|C<4>,4|C<3>,4|H<1>}	110.9825	1.285	2	110.9825	1.651	2	110.9825	1.651	2	110.9825	1.651	2	105.8553	6.629	14	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6,6]	C[5]	O[6]	4:4:4:2:	4:3:1:1:	4:3:	C[5,6]-4:C[6,6]-4:C[5]-4:O[6]-2:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,6,6]-4:C[6]-3:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[5]C[5]HH)(O[6]C[6])	C[5](C[5,6,6]C[5,6]C[6,6]O[6])(C[5]C[5]C)(H)2	O[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]O)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[5]C[5]HH)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,8|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]O[6])(C[5]C[5]C)(H)2{1|C<3>,3|C<4>,4|H<1>}	O[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]O){1|C<3>,4|C<4>,6|H<1>}	105.7720	0.000	1	105.7720	0.000	1	105.7720	0.000	1	105.7720	0.000	1	105.8553	6.629	14	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[3x5,6]	O[6]	4:3:2:1:	4:4:2:3:	4:3:	C[3x5,6]-4:N[5,6]-3:O[6]-2:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:C[5,6]-3:	C[5,6]-4:C[5,6]-3:	C[5,6](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5,6]C[5]C[6])(O[6]C[5,6])(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]N[5,6]O[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)	O[6](C[5,6]C[3x5,6]N[5,6]H)(C[5,6]C[5,6]C[5])	C[5,6](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5,6]C[5]C[6])(O[6]C[5,6])(H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]N[5,6]O[6]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H){2|C<3>,6|H<1>}	O[6](C[5,6]C[3x5,6]N[5,6]H)(C[5,6]C[5,6]C[5]){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	111.3770	0.000	1	111.3770	0.000	1	111.3770	0.000	1	111.3770	0.000	1	111.3770	0.000	1	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	O[6]	4:4:2:1:	4:4:4:3:	4:3:	C[5,5,6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:N[5,6]-3:	C[5,6]-4:C[6]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]N[5,6])(C[5,6]C[5,6]C[5]C[6])(O[6]C[6])(H)	C[5,5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]O[6]H)(C[5,6]C[5,6]HH)(N[5,6]C[5]C[6])	O[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]N[5,6])(C[5,6]C[5,6]C[5]C[6])(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,5|H<1>,7|C<4>}	C[5,5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]O[6]H)(C[5,6]C[5,6]HH)(N[5,6]C[5]C[6]){3|C<3>,4|H<1>,5|C<4>}	O[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]O){1|C<3>,1|N<3>,2|H<1>,4|C<4>}	104.4690	0.000	1	104.4690	0.000	1	104.4690	0.000	1	104.4690	0.000	1	104.4690	0.000	1	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5,5]	O[6]	4:2:2:4:	4:4:3:3:	3:4:	C[5,5]-4:O[6]-2:O[6]-2:C[5]-4:	C[5,6]-4:C[5]-4:C[5]-3:C[5]-3:	C[6,6a]-3:C[5,6]-4:	C[5,6](C[5,5]C[5]3)(O[6]C[6,6a])2(C[5]C[5]HH)	C[5,5](C[5,6]C[5]O[6]2)(C[5]C[5]HO)(C[5]C[5]O)2	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,5]C[5]O[6])	C[5,6](C[5,5]C[5]3)(O[6]C[6,6a])2(C[5]C[5]HH){2|H<1>,2|O<1>,2|O<2>,5|C<3>}	C[5,5](C[5,6]C[5]O[6]2)(C[5]C[5]HO)(C[5]C[5]O)2{2|C<3>,2|O<2>,4|H<1>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,5]C[5]O[6]){2|C<4>,3|H<1>,5|C<3>}	107.4710	0.808	2	107.4710	0.652	2	107.4710	0.652	2	107.4710	0.652	2	107.5924	3.186	25	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5,5]	O[6]	4:3:2:1:	3:4:4:3:	4:2:	C[5,5]-4:N[5,6]-3:O[6]-2:H-1:	C[5,6a]-3:C[5,6]-4:C[5]-4:C[5]-3:	C[5,6]-4:S[6]-2:	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[6,6a]C[5])(O[6]S[6])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]O[6]H)(C[5]C[5]CH)(C[5]N[5]O)	O[6](C[5,6]C[5,5]N[5,6]H)(S[6]C[6,6a])	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[6,6a]C[5])(O[6]S[6])(H){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]O[6]H)(C[5]C[5]CH)(C[5]N[5]O){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	O[6](C[5,6]C[5,5]N[5,6]H)(S[6]C[6,6a]){2|C<4>,4|C<3>}	110.9300	0.000	1	110.9300	0.000	1	110.9300	0.000	1	110.9300	0.000	1	107.5924	3.186	25	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5,5]	O[6]	4:3:3:2:	4:3:3:4:	4:3:	C[5,5]-4:N[5,6]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6]-4:C[6]-3:	C[5,6](C[5,5]C[5,6a]2C[5])(N[5,6]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6])	C[5,5](C[5,6]N[5,6]C[6a]O[6])(C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5]C)	O[6](C[5,6]C[5,5]N[5,6]C[6a])(C[6]C[6a]C[6])	C[5,6](C[5,5]C[5,6a]2C[5])(N[5,6]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6]){10|C<3>,2|H<1>,2|O<1>}	C[5,5](C[5,6]N[5,6]C[6a]O[6])(C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5]C){10|C<3>,1|O<1>,2|H<1>}	O[6](C[5,6]C[5,5]N[5,6]C[6a])(C[6]C[6a]C[6]){1|C<4>,9|C<3>}	110.0190	0.000	1	110.0190	0.000	1	110.0190	0.000	1	110.0190	0.000	1	107.5924	3.186	25	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5,5]	O[6]	4:4:2:1:	4:4:2:1:	4:3:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,6]-4:B[6]-3:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]B[6])(H)	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]B[5])(H)	O[6](C[5,6]C[5,5]C[5,6]H)(B[6]C[6a]O[6])	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]B[6])(H){1|B<3>,1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]B[5])(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>}	O[6](C[5,6]C[5,5]C[5,6]H)(B[6]C[6a]O[6]){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	108.9233	1.855	7	108.9233	3.440	7	108.5497	3.158	9	107.2942	2.988	20	107.5924	3.186	25	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5,5]	O[6]	4:4:2:1:	4:4:2:1:	4:3:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,6]-4:B[6]-3:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]B[6])(H)	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	O[6](C[5,6]C[5,5]C[5,6]H)(B[6]C[6a]O[6])	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]B[6])(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|B<3>,1|H<1>,3|C<4>}	O[6](C[5,6]C[5,5]C[5,6]H)(B[6]C[6a]O[6]){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	107.2420	0.478	2	107.2420	0.228	2	108.5497	3.158	9	107.2942	2.988	20	107.5924	3.186	25	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5,5]	O[6]	4:4:2:1:	4:4:2:1:	4:3:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[5,6]O)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]O[5]H)(O[6]C[6])(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|C<3>,1|H<1>,3|C<4>}	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[5,6]O){2|O<2>,3|C<4>,3|H<1>}	105.8430	0.000	1	105.8430	0.000	1	106.2670	0.572	11	107.2942	2.988	20	107.5924	3.186	25	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5,5]	O[6]	4:4:2:1:	4:4:2:1:	4:3:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6,6]O[5]H)(O[6]C[6])(H)	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6,6]O)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6,6]O[5]H)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|C<3>,1|H<1>,3|C<4>}	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6,6]O){2|H<1>,2|O<2>,4|C<4>}	106.6320	0.000	1	106.5463	0.192	4	106.2670	0.572	11	107.2942	2.988	20	107.5924	3.186	25	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5,5]	O[6]	4:4:2:1:	4:4:2:1:	4:3:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6,6]O[5]H)(O[6]C[6])(H)	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6,6]O)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6,6]O[5]H)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|C<3>,1|H<1>,3|C<4>}	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6,6]O){2|O<2>,3|C<4>,3|H<1>}	106.5177	0.533	3	106.5463	0.192	4	106.2670	0.572	11	107.2942	2.988	20	107.5924	3.186	25	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5,5]	O[6]	4:4:2:1:	4:4:2:1:	4:3:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|C<3>,1|H<1>,3|C<4>}	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]H){2|C<4>,2|O<2>,3|H<1>}	105.2760	0.000	1	105.2760	0.000	1	106.2670	0.572	11	107.2942	2.988	20	107.5924	3.186	25	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5,5]	O[6]	4:4:2:1:	4:4:2:1:	4:3:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]O)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|C<4>,2|C<3>,2|H<1>}	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]O){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	105.6270	0.911	2	106.1980	1.393	3	106.2670	0.572	11	107.2942	2.988	20	107.5924	3.186	25	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5,5]	O[6]	4:4:2:1:	4:4:2:1:	4:3:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]O)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|C<3>,1|H<1>,3|C<4>}	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]O){2|C<4>,2|O<2>,4|H<1>}	107.3400	0.000	1	106.1980	1.393	3	106.2670	0.572	11	107.2942	2.988	20	107.5924	3.186	25	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5,5]	O[6]	4:4:2:1:	4:4:2:1:	4:3:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]S)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H){1|C<4>,1|S<1>,2|O<2>,3|H<1>}	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|C<3>,1|H<1>,3|C<4>}	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]S){2|C<4>,2|H<1>,2|O<2>}	107.1270	0.000	1	107.1270	0.000	1	106.2670	0.572	11	107.2942	2.988	20	107.5924	3.186	25	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5,5]	O[6]	4:4:2:1:	4:4:2:1:	4:3:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]S[6]S)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H){1|C<4>,1|O<2>,1|S<1>,1|S<2>,3|H<1>}	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|C<3>,1|H<1>,3|C<4>}	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]S[6]S){2|C<4>,2|H<1>,2|O<2>}	105.9120	0.000	1	105.9120	0.000	1	106.2670	0.572	11	107.2942	2.988	20	107.5924	3.186	25	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5,5]	O[6]	4:4:2:3:	4:4:2:1:	4:3:	C[5,5]-4:C[5]-4:O[6]-2:C[6]-3:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[6]C[6,6a])(C[6]C[6]C)	C[5,5](C[5,6]C[5]C[6]O[6])(C[5,5]O[5]2H)(O[5]C[5])(H)	O[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])	C[5,6](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[6]C[6,6a])(C[6]C[6]C){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5,5](C[5,6]C[5]C[6]O[6])(C[5,5]O[5]2H)(O[5]C[5])(H){1|H<1>,3|C<3>,3|C<4>}	O[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a]){2|C<4>,2|O<2>,3|H<1>,4|C<3>}	108.0360	0.000	1	108.0360	0.000	1	108.0360	0.000	1	108.0360	0.000	1	107.5924	3.186	25	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:3:1:	4:3:	C[5,6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:	C[5,6](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6,6]HO)(O[6]C[6])(H)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6]O[6]H)(C[6]C[6]H)(H)	O[6](C[5,6]C[5,6]2H)(C[6]C[6,6]O)	C[5,6](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6,6]HO)(O[6]C[6])(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6]O[6]H)(C[6]C[6]H)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	O[6](C[5,6]C[5,6]2H)(C[6]C[6,6]O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	111.7830	0.000	1	111.7830	0.000	1	111.7830	0.000	1	111.7830	0.000	1	110.9813	6.507	3	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:4:4:	4:3:	C[5,6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,6]O[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	O[6](C[5,6]C[5,6]2H)(C[6]C[6]N[6])	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(O[6]C[6])(H){1|N<2>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6]O[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,6|H<1>}	O[6](C[5,6]C[5,6]2H)(C[6]C[6]N[6]){2|H<1>,7|C<4>}	113.0350	0.000	1	113.0350	0.000	1	113.0350	0.000	1	113.0350	0.000	1	110.9813	6.507	3	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:4:3:2:	4:4:4:4:	4:3:	C[5,6]-4:C[5]-4:C[6]-3:O[6]-2:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]O[6]O)(O[6]C[6])	C[5,6](C[5,6]C[5]C[6]O[6])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	O[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]O)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]O[6]O)(O[6]C[6]){1|O<1>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]O[6])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,2|C<4>,2|O<2>,6|H<1>}	O[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]O){1|O<1>,1|O<2>,3|H<1>,5|C<4>}	108.1260	0.000	1	108.1260	0.000	1	108.1260	0.000	1	108.1260	0.000	1	110.9813	6.507	3	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	2:2:4:3:	4:3:1:1:	3:4:	O[5,6]-2:O[6]-2:C[5]-4:C-3:	C[5,6]-4:N[5]-3:F-1:F-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]N[5]FF)(CCC)	C[5](C[5,6]O[5,6]O[6]C)(N[5]C[5,6]C[6a])(F)2	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]N[5]FF)(CCC){1|H<1>,3|C<3>}	C[5](C[5,6]O[5,6]O[6]C)(N[5]C[5,6]C[6a])(F)2{1|H<1>,4|C<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|N<3>,2|C<3>,2|F<1>}	108.0920	0.000	1	108.0920	0.000	1	108.0920	0.000	1	108.0920	0.000	1	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	2:3:2:4:	4:3:3:1:	4:3:	O[5,6]-2:C[6a]-3:O[6]-2:C[5]-4:	C[5,6]-4:N[5]-3:C-3:H-1:	C[5,6]-4:C[6,6a]-3:	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(O[6]C[6,6a])(C[5]N[5]CH)	C[5](C[5,6]O[5,6]C[6a]O[6])(N[5]C[5,6]C[6a])(COO)(H)	O[6](C[5,6]O[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(O[6]C[6,6a])(C[5]N[5]CH){3|H<1>,5|C<3>}	C[5](C[5,6]O[5,6]C[6a]O[6])(N[5]C[5,6]C[6a])(COO)(H){1|H<1>,6|C<3>}	O[6](C[5,6]O[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	107.1100	0.000	1	107.1100	0.000	1	107.1100	0.000	1	107.1100	0.000	1	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	2:4:2:1:	4:4:1:1:	4:3:	O[5,6]-2:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-3:	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]HH)(O[6]C[6])(H)	C[5](C[5,6]C[5,6,6]C[3]C[6])(C[5,6]O[5,6]O[6]H)(H)2	O[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]HH)(O[6]C[6])(H){1|C<3>,1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6,6]C[3]C[6])(C[5,6]O[5,6]O[6]H)(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	O[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H){2|C<4>,3|H<1>}	111.3800	0.000	1	111.3470	0.002	2	111.3330	0.014	6	111.3330	0.014	6	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	2:4:2:1:	4:4:1:1:	4:3:	O[5,6]-2:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-3:	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]HH)(O[6]C[6])(H)	C[5](C[5,6]C[5,6,6]C[3]C[6])(C[5,6]O[5,6]O[6]H)(H)2	O[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]HH)(O[6]C[6])(H){1|C<3>,1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6,6]C[3]C[6])(C[5,6]O[5,6]O[6]H)(H)2{1|O<2>,2|H<1>,3|C<3>,3|C<4>}	O[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H){2|C<4>,3|H<1>}	111.3140	0.000	1	111.3470	0.002	2	111.3330	0.014	6	111.3330	0.014	6	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	2:4:2:1:	4:4:1:1:	4:3:	O[5,6]-2:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-3:	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]HH)(O[6]C[6])(H)	C[5](C[5,6]C[5,6,6]C[6]C)(C[5,6]O[5,6]O[6]H)(H)2	O[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]HH)(O[6]C[6])(H){1|C<3>,1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6,6]C[6]C)(C[5,6]O[5,6]O[6]H)(H)2{2|C<3>,2|C<4>,2|H<1>}	O[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H){2|C<4>,3|H<1>}	111.3260	0.150	4	111.3260	0.023	4	111.3330	0.014	6	111.3330	0.014	6	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	3:2:4:1:	4:2:3:3:	3:4:	C[5,6]-3:O[6]-2:C[5]-4:H-1:	C[5,6]-4:O[5]-2:C-3:C-3:	C[6,6a]-3:C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]O[5]CC)(H)	C[5](C[5,6]C[5,6]O[6]H)(O[5]C[5])(COO)2	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)	C[5,6](C[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]O[5]CC)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6]C[5,6]O[6]H)(O[5]C[5])(COO)2{1|H<1>,2|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H){1|O<2>,7|C<3>}	112.0550	0.000	1	112.0550	0.000	1	112.0550	0.000	1	112.0550	0.000	1	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	3:2:4:1:	4:2:4:4:	3:4:	N[5,6]-3:O[6]-2:C[5]-4:H-1:	C[5,6]-4:S[5]-2:C-4:C-4:	C[6,6a]-3:C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]S[5]CC)(H)	C[5](C[5,6]N[5,6]O[6]H)(S[5]C[5])(CH3)2	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)	C[5,6](N[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]S[5]CC)(H){1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,6]N[5,6]O[6]H)(S[5]C[5])(CH3)2{2|C<3>,2|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H){1|H<1>,1|S<2>,3|C<3>,3|C<4>}	108.3420	0.000	1	108.3420	0.000	1	108.3420	0.000	1	108.3420	0.000	1	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	3:2:4:1:	4:3:1:1:	3:4:	C[5,6]-3:O[6]-2:C[5]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[6,6a]-3:C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)	C[5,6](C[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]C[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C)(H)2{1|O<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H){3|H<1>,5|C<3>}	111.8280	0.000	1	111.8280	0.000	1	111.8280	0.000	1	111.8280	0.000	1	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	3:2:4:1:	4:3:4:1:	3:4:	C[5,6]-3:O[6]-2:C[5]-4:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[6,6a]-3:C[5,6]-4:	C[5,6](C[5,6]C[6]N[5])(O[6]C[6,6a])(C[5]C[5]CH)(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]C)(CHHN)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)	C[5,6](C[5,6]C[6]N[5])(O[6]C[6,6a])(C[5]C[5]CH)(H){4|C<3>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]C)(CHHN)(H){2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H){1|C<4>,1|F<1>,1|H<1>,1|N<2>,4|C<3>}	113.0900	0.034	2	113.0900	0.001	2	113.0900	0.001	2	113.0900	0.001	2	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	3:2:4:1:	4:4:1:1:	3:4:	C[5,6]-3:O[6]-2:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)	C[5,6](C[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]C[5]HH)(H){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H){1|C<4>,3|H<1>,4|C<3>}	112.3945	0.122	2	112.3945	0.015	2	112.3945	0.015	2	110.4718	8.179	4	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	3:2:4:1:	4:4:1:1:	3:4:	N[5,6]-3:O[6]-2:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]C[5]HH)(H)	C[5](C[5,6]N[5,6]O[6]H)(C[5]C[5]HH)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)	C[5,6](N[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]C[5]HH)(H){1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6]N[5,6]O[6]H)(C[5]C[5]HH)(H)2{1|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H){2|C<4>,3|C<3>,3|H<1>}	110.7550	0.000	1	108.5490	9.733	2	108.5490	9.733	2	110.4718	8.179	4	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	3:2:4:1:	4:4:1:1:	3:4:	N[5,6]-3:O[6]-2:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]C[5]HH)(H)	C[5](C[5,6]N[5,6]O[6]H)(C[5]C[5]HH)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)	C[5,6](N[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]C[5]HH)(H){3|C<3>,5|H<1>}	C[5](C[5,6]N[5,6]O[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H){2|C<3>,3|C<4>,3|H<1>}	106.3430	0.000	1	108.5490	9.733	2	108.5490	9.733	2	110.4718	8.179	4	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	3:3:2:4:	4:4:1:1:	4:3:	C[5,6a]-3:C[6,6a]-3:O[6]-2:C[5]-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[5]C[5]HH)	C[5](C[5,6]C[5,6a]C[6,6a]O[6])(C[5]C[5,6a]HH)(H)2	O[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6,6a]C[6,6a]C[6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[5]C[5]HH){4|H<1>,6|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]O[6])(C[5]C[5,6a]HH)(H)2{5|C<3>}	O[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6,6a]C[6,6a]C[6a]){1|C<4>,3|H<1>,6|C<3>}	111.0540	0.000	1	111.0540	0.000	1	111.0540	0.000	1	111.0540	0.000	1	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	3:4:2:1:	4:4:1:1:	4:3:	C[5,6]-3:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-3:	C[5,6](C[5,6]C[5,6,6]C[5])(C[5]C[5]HH)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]O)	C[5,6](C[5,6]C[5,6,6]C[5])(C[5]C[5]HH)(O[6]C[6])(H){1|O<1>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]O){2|C<3>,2|C<4>,3|H<1>}	110.3460	0.000	1	110.3460	0.000	1	110.3460	0.000	1	110.3460	0.000	1	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	3:4:2:3:	3:4:4:4:	3:4:	N[5,6]-3:C[5]-4:O[6]-2:C-3:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	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])(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]O[6]C)(CH3)2	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])(CCH){2|H<1>,4|C<3>}	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>}	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>}	105.9830	0.544	2	105.9830	0.296	2	105.9830	0.296	2	106.6210	0.614	5	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	3:4:2:3:	3:4:4:4:	3:4:	N[5]-3:C[5]-4:O[6]-2:C[6]-3:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C[6,6a]-3:C[5,6]-4:	C[5,6](N[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(O[6]C[6,6a])(C[6]C[6]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])	C[5,6](N[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(O[6]C[6,6a])(C[6]C[6]C){1|H<1>,6|C<3>}	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>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5]){1|N<3>,3|C<4>,6|C<3>}	106.7570	0.000	1	106.7570	0.000	1	107.0463	0.402	3	106.6210	0.614	5	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	3:4:2:3:	3:4:4:4:	3:4:	N[5]-3:C[5]-4:O[6]-2:C[6]-3:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C[6,6a]-3:C[5,6]-4:	C[5,6](N[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(O[6]C[6,6a])(C[6]C[6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])	C[5,6](N[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(O[6]C[6,6a])(C[6]C[6]H){1|H<1>,6|C<3>}	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>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5]){1|H<1>,1|N<3>,2|C<4>,6|C<3>}	107.1910	0.823	2	107.1910	0.677	2	107.0463	0.402	3	106.6210	0.614	5	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	3:4:2:4:	3:4:4:4:	3:4:	N[5,6]-3:C[5]-4:O[6]-2:C-4:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	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[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]O[6]C)(CH3)2	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[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>}	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>}	104.4845	0.496	2	104.4845	0.246	2	104.4845	0.246	2	104.4845	0.246	2	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	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[5]-3: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[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]O)(H)2	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[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]O)(H)2{1|O<2>,2|C<3>}	O[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6a]O){2|H<1>,4|C<3>}	108.8730	0.000	1	108.8730	0.000	1	108.8730	0.000	1	108.8730	0.000	1	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	3:4:2:4:	4:4:1:1:	3:4:	C[5]-3:C[5]-4:O[6]-2:C[6]-4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:	C[5,6](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(O[6]C[6,6a])(C[6]O[6]HH)	C[5](C[5,6]C[5]C[6]O[6])(C[5,6]C[5,6]C[6]C)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])	C[5,6](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(O[6]C[6,6a])(C[6]O[6]HH){1|C<4>,6|C<3>}	C[5](C[5,6]C[5]C[6]O[6])(C[5,6]C[5,6]C[6]C)(H)2{1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6]){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	110.1270	0.000	1	110.1270	0.000	1	110.1270	0.000	1	110.1270	0.000	1	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	3:4:2:4:	4:4:1:1:	4:3:	C[5,6]-3:C[5]-4:O[6]-2:C-4:	C[5,6]-4:C[5]-4: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[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]HH)(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[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	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>}	108.5360	0.000	1	108.5360	0.000	1	108.5360	0.000	1	107.8975	0.815	2	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	3:4:2:4:	4:4:1:1:	4:3:	N[5,6]-3:C[5]-4:O[6]-2:C-4:	C[5,6]-4:C[5]-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]HH)(O[6]C[6])(CH3)	C[5](C[5,6]N[5,6]O[6]C)(C[5]C[5]HH)(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]HH)(O[6]C[6])(CH3){2|C<3>,2|H<1>,2|O<1>}	C[5](C[5,6]N[5,6]O[6]C)(C[5]C[5]HH)(H)2{1|O<1>,2|C<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>}	107.2590	0.000	1	107.2590	0.000	1	107.2590	0.000	1	107.8975	0.815	2	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	3:4:4:2:	4:2:3:1:	4:3:	C[5,6]-3:C[5]-4:C[5]-4:O[6]-2:	C[5,6]-4:O[5]-2:C[5]-3:H-1:	C[5,6]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[5]C[5]HO)(O[6]C[6])	C[5](C[5,6]C[5,6]C[5]O[6])(O[5]C[5,5])(C[5]C[5]H)(H)	O[6](C[5,6]C[5,6]C[5]2)(C[6]C[5,6]O)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[5]C[5]HO)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[5]O[6])(O[5]C[5,5])(C[5]C[5]H)(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	O[6](C[5,6]C[5,6]C[5]2)(C[6]C[5,6]O){2|C<3>,2|H<1>,2|O<2>,4|C<4>}	110.6060	0.000	1	110.6060	0.000	1	110.6060	0.000	1	110.6060	0.000	1	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	3:4:4:2:	4:3:2:2:	4:3:	C[5,6a]-3:C[5]-4:C[6]-4:O[6]-2:	C[5,6]-4:N[5]-3:N-2:N-2:	C[5,6]-4:C[6]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]NN)(C[6]C[6]HH)(O[6]C[6])	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(NN)2	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]NN)(C[6]C[6]HH)(O[6]C[6]){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(NN)2{1|C<4>,2|H<1>,3|C<3>}	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]O){1|C<4>,1|N<3>,2|C<3>,2|N<2>,3|H<1>}	105.7610	0.000	1	105.7610	0.000	1	105.7610	0.000	1	105.7610	0.000	1	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	3:4:4:2:	4:4:2:1:	4:3:	C[5,6]-3:C[5]-4:C[5]-4:O[6]-2:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[5]C[5]HO)(O[6]C[6])	C[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]HH)(OH)(H)	O[6](C[5,6]C[5,6]C[5]2)(C[6]C[5,6]O)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[5]C[5]HO)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]HH)(OH)(H){1|O<2>,3|C<3>,3|H<1>}	O[6](C[5,6]C[5,6]C[5]2)(C[6]C[5,6]O){2|C<3>,2|H<1>,2|O<2>,4|C<4>}	109.1350	0.000	1	108.7685	0.269	2	108.7685	0.269	2	108.5190	0.321	3	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	3:4:4:2:	4:4:2:1:	4:3:	C[5,6]-3:C[5]-4:C[5]-4:O[6]-2:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[5]C[5]HO)(O[6]C[6])	C[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]HH)(OH)(H)	O[6](C[5,6]C[5,6]C[5]2)(C[6]C[5,6]O)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[5]C[5]HO)(O[6]C[6]){1|O<1>,3|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]HH)(OH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O[6](C[5,6]C[5,6]C[5]2)(C[6]C[5,6]O){1|C<3>,2|H<1>,2|O<2>,5|C<4>}	108.4020	0.000	1	108.7685	0.269	2	108.7685	0.269	2	108.5190	0.321	3	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	3:4:4:2:	4:4:2:1:	4:3:	C[5,6]-3:C[5]-4:C[5]-4:O[6]-2:	C[5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[5]C[5]HO)(O[6]C[6])	C[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]HH)(O[5]C[5,5])(H)	O[6](C[5,6]C[5,6]C[5]2)(C[6]C[5,6]O)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[5]C[5]HO)(O[6]C[6]){1|O<1>,3|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]HH)(O[5]C[5,5])(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	O[6](C[5,6]C[5,6]C[5]2)(C[6]C[5,6]O){1|C<3>,2|H<1>,2|O<2>,5|C<4>}	108.0200	0.000	1	108.0200	0.000	1	108.0200	0.000	1	108.5190	0.321	3	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	4:2:2:4:	3:4:1:1:	3:4:	C[5]-4:O[5]-2:O[6]-2:C[6]-4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:	C[5,6](C[5]C[5,6a]HH)(O[5]C[5,6a])(O[6]C[6,6a])(C[6]C[6]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]O[6])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])	C[5,6](C[5]C[5,6a]HH)(O[5]C[5,6a])(O[6]C[6,6a])(C[6]C[6]HH){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]O[6])(H)2{1|C<4>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5]){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	106.2300	0.000	1	106.1573	0.190	4	106.0334	0.219	5	106.0334	0.219	5	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	4:2:2:4:	3:4:1:1:	3:4:	C[5]-4:O[5]-2:O[6]-2:C[6]-4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:	C[5,6](C[5]C[5,6a]HH)(O[5]C[5,6a])(O[6]C[6,6a])(C[6]C[6]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]O[6])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])	C[5,6](C[5]C[5,6a]HH)(O[5]C[5,6a])(O[6]C[6,6a])(C[6]C[6]HH){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]O[6])(H)2{1|C<4>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5]){1|C<4>,1|S<3>,4|C<3>,4|H<1>}	105.9835	0.654	2	106.1573	0.190	4	106.0334	0.219	5	106.0334	0.219	5	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	4:2:2:4:	3:4:1:1:	3:4:	C[5]-4:O[5]-2:O[6]-2:C[6]-4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:	C[5,6](C[5]C[5,6a]HH)(O[5]C[5,6a])(O[6]C[6,6a])(C[6]C[6]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]O[6])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])	C[5,6](C[5]C[5,6a]HH)(O[5]C[5,6a])(O[6]C[6,6a])(C[6]C[6]HH){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]O[6])(H)2{1|C<4>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5]){1|C<4>,4|C<3>,5|H<1>}	106.4320	0.000	1	106.1573	0.190	4	106.0334	0.219	5	106.0334	0.219	5	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	4:2:2:4:	3:4:1:1:	3:4:	C[5]-4:O[5]-2:O[6]-2:C[6]-4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:	C[5,6](C[5]C[5,6a]HH)(O[5]C[5,6a])(O[6]C[6,6a])(C[6]C[6]HH)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6]O[5]O[6])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])	C[5,6](C[5]C[5,6a]HH)(O[5]C[5,6a])(O[6]C[6,6a])(C[6]C[6]HH){2|H<1>,4|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6]O[5]O[6])(H)2{1|C<4>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5]){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	105.5380	0.000	1	105.5380	0.000	1	106.0334	0.219	5	106.0334	0.219	5	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	4:2:2:4:	3:4:2:1:	3:4:	C[5]-4:O[5]-2:O[6]-2:C[6]-4:	C[5,6a]-3:C[5,6]-4:O-2:H-1:	C[6,6a]-3:C[5,6]-4:	C[5,6](C[5]C[5,6a]HO)(O[5]C[5,6a])(O[6]C[6,6a])(C[6]C[6]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]O[6])(OH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])	C[5,6](C[5]C[5,6a]HO)(O[5]C[5,6a])(O[6]C[6,6a])(C[6]C[6]HH){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]O[6])(OH)(H){1|C<4>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5]){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	106.1472	0.134	6	106.1472	0.018	6	106.1472	0.018	6	106.1472	0.018	6	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	4:2:2:4:	3:4:3:1:	3:4:	C[5]-4:O[5,6]-2:O[6]-2:C-4:	C[5a]-3:C[5,6]-4:N[5]-3: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[5](C[5a]C[5a,6a]C[5a])(C[5,6]O[5,6]O[6]C)(N[5]C[5,6]S)(H)	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[5](C[5a]C[5a,6a]C[5a])(C[5,6]O[5,6]O[6]C)(N[5]C[5,6]S)(H){1|N<3>,2|H<1>,4|C<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>}	109.1060	0.000	1	109.1060	0.000	1	109.1060	0.000	1	109.1060	0.000	1	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	4:2:2:4:	4:4:1:1:	3:4:	C[5,5]-4:O[6]-2:O[6]-2:C[5]-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:	C[5,6](C[5,5]C[5]3)(O[6]C[6,6a])2(C[5]C[5]HH)	C[5](C[5,6]C[5,5]O[6]2)(C[5]C[5]HO)(H)2	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,5]C[5]O[6])	C[5,6](C[5,5]C[5]3)(O[6]C[6,6a])2(C[5]C[5]HH){2|H<1>,2|O<1>,2|O<2>,5|C<3>}	C[5](C[5,6]C[5,5]O[6]2)(C[5]C[5]HO)(H)2{1|H<1>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,5]C[5]O[6]){2|C<4>,3|H<1>,5|C<3>}	112.4525	1.965	2	112.4525	3.861	2	112.4525	3.861	2	112.4525	3.861	2	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	4:2:4:1:	4:2:1:1:	3:4:	C[5,6]-4:O[6]-2:C[5]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5a,6]-3:C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(O[6]C[5a,6])(C[5]O[5]HH)(H)	C[5](C[5,6]C[5,6]O[6]H)(O[5]C[5])(H)2	O[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)	C[5,6](C[5,6]C[5]O[6]H)(O[6]C[5a,6])(C[5]O[5]HH)(H){2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(O[5]C[5])(H)2{1|C<3>,1|O<2>,3|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5]H){1|Br<1>,1|C<3>,1|C<4>,1|S<2>,2|O<2>,3|H<1>}	110.0010	4.513	2	110.0010	20.365	2	110.0010	20.365	2	109.8185	11.195	4	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	4:2:4:1:	4:2:1:1:	3:4:	C[5,6]-4:O[6]-2:C[5]-4:H-1:	C[5,6]-4:S[5]-2:H-1:H-1:	C[5a,6]-3:C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(O[6]C[5a,6])(C[5]S[5]HH)(H)	C[5](C[5,6]C[5,6]O[6]H)(S[5]C[5])(H)2	O[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)	C[5,6](C[5,6]C[5]O[6]H)(O[6]C[5a,6])(C[5]S[5]HH)(H){2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(S[5]C[5])(H)2{1|C<3>,1|O<2>,3|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5]H){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|S<2>,3|H<1>}	109.6360	3.618	2	109.6360	13.087	2	109.6360	13.087	2	109.8185	11.195	4	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	4:2:4:1:	4:2:3:3:	3:4:	C[5,6]-4:O[6]-2:C[5]-4:H-1:	C[5,6]-4:O[5]-2:C-3:C-3:	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]O[5]CC)(H)	C[5](C[5,6]C[5,6]O[6]H)(O[5]C[5])(COO)2	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(C[5]O[5]CC)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6]C[5,6]O[6]H)(O[5]C[5])(COO)2{1|C<4>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	110.6230	0.000	1	110.6230	0.000	1	110.6230	0.000	1	110.6230	0.000	1	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	4:2:4:1:	4:3:1:1:	3:4:	C[5,6]-4:O[6]-2:C[5]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[6,6a]-3:C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]H)(O[6]C[6,6a])(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]O)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)	C[5,6](C[5,6]C[5]N[6]H)(O[6]C[6,6a])(C[5]C[5]HH)(H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]O)(H)2{1|N<3>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	106.3000	0.000	1	106.3000	0.000	1	106.3000	0.000	1	106.3000	0.000	1	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	4:2:4:1:	4:3:4:1:	3:4:	C[5,6]-4:O[6]-2:C[5]-4:H-1:	C[5,6]-4:N[5]-3:C-4: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])(C[5]N[5]CH)(H)	C[5](C[5,6]C[5,6]O[6]H)(N[5]C[5,6]S)(CCHH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)	C[5,6](C[5,6]C[5,6]HH)(O[6]C[6,6a])(C[5]N[5]CH)(H){1|H<1>,1|S<4>,2|C<3>}	C[5](C[5,6]C[5,6]O[6]H)(N[5]C[5,6]S)(CCHH)(H){2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	109.6180	0.000	1	109.6180	0.000	1	109.6180	0.000	1	109.6180	0.000	1	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	4:2:4:1:	4:4:1:1:	3:4:	C[5,6]-4:O[6]-2:C[5]-4:H-1:	C[5,6]-4:C[5]-4: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)(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H){1|Br<1>,2|C<4>,3|C<3>,3|H<1>}	106.8752	0.501	6	106.8500	0.214	7	107.5662	4.287	8	107.5662	4.287	8	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	4:2:4:1:	4:4:1:1:	3:4:	C[5,6]-4:O[6]-2:C[5]-4:H-1:	C[5,6]-4:C[5]-4: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)(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H){2|C<4>,3|C<3>,4|H<1>}	106.6990	0.000	1	106.8500	0.214	7	107.5662	4.287	8	107.5662	4.287	8	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	4:2:4:1:	4:4:1:1:	3:4:	C[5,6]-4:O[6]-2:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]H)(O[6]C[6,6a])(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)	C[5,6](C[5,6]C[5]N[6]H)(O[6]C[6,6a])(C[5]C[5]HH)(H){1|S<4>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	112.5800	0.000	1	112.5800	0.000	1	107.5662	4.287	8	107.5662	4.287	8	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	4:2:4:2:	4:4:1:1:	3:4:	C[6]-4:O[6]-2:C[5]-4:O[5]-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:	C[5,6](C[6]C[6,6]HH)(O[6]C[6,6a])(C[5]C[5]HH)(O[5]C[5])	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2	O[6](C[6,6a]C[6,6,6a]C[6a])(C[5,6]C[5]C[6]O[5])	C[5,6](C[6]C[6,6]HH)(O[6]C[6,6a])(C[5]C[5]HH)(O[5]C[5]){1|O<2>,2|C<3>,5|H<1>}	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[5,6]C[5]C[6]O[5]){3|C<3>,3|C<4>,4|H<1>}	105.3030	0.000	1	105.3030	0.000	1	105.3030	0.000	1	105.3030	0.000	1	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	4:2:4:2:	4:4:1:1:	4:3:	C[5,6]-4:O[6]-2:C[5]-4:O[5]-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:	C[5,6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(C[5]C[5]HH)(O[5]C[5])	C[5](C[5,6]C[5,6]O[5]O[6])(C[5]C[5]HH)(H)2	O[6](C[5,6]C[5,6]C[5]O[5])(C[6,6a]C[6,6a]C[6a])	C[5,6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(C[5]C[5]HH)(O[5]C[5]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]O[5]O[6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	O[6](C[5,6]C[5,6]C[5]O[5])(C[6,6a]C[6,6a]C[6a]){3|C<3>,3|C<4>,4|H<1>}	106.2560	0.000	1	105.5503	0.375	3	105.5503	0.375	3	105.5503	0.375	3	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	4:2:4:2:	4:4:1:1:	4:3:	C[5,6]-4:O[6]-2:C[5]-4:O[5]-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:	C[5,6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(C[5]C[5]HH)(O[5]C[5])	C[5](C[5,6]C[5,6]O[5]O[6])(C[5]C[5]HH)(H)2	O[6](C[5,6]C[5,6]C[5]O[5])(C[6,6a]C[6,6a]C[6a])	C[5,6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(C[5]C[5]HH)(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]O[5]O[6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	O[6](C[5,6]C[5,6]C[5]O[5])(C[6,6a]C[6,6a]C[6a]){3|C<3>,3|C<4>,4|H<1>}	105.2350	0.000	1	105.5503	0.375	3	105.5503	0.375	3	105.5503	0.375	3	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	4:2:4:2:	4:4:1:1:	4:3:	C[5,6]-4:O[6]-2:C[5]-4:O[5]-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:	C[5,6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(C[5]C[5]HH)(O[5]C[5])	C[5](C[5,6]C[5,6]O[5]O[6])(C[5]C[5]HH)(H)2	O[6](C[5,6]C[5,6]C[5]O[5])(C[6,6a]C[6,6a]C[6a])	C[5,6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(C[5]C[5]HH)(O[5]C[5]){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]O[5]O[6])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	O[6](C[5,6]C[5,6]C[5]O[5])(C[6,6a]C[6,6a]C[6a]){3|C<3>,3|C<4>,4|H<1>}	105.1600	0.000	1	105.5503	0.375	3	105.5503	0.375	3	105.5503	0.375	3	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	4:2:4:2:	4:4:4:1:	3:4:	C[6]-4:O[6]-2:C[5]-4:O[5]-2:	C[5,6]-4:C[5]-4:C-4:H-1:	C[6,6a]-3:C[5,6]-4:	C[5,6](C[6]C[6,6]HH)(O[6]C[6,6a])(C[5]C[5]CH)(O[5]C[5])	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]CH)(CH3)(H)	O[6](C[6,6a]C[6,6,6a]C[5,6a])(C[5,6]C[5]C[6]O[5])	C[5,6](C[6]C[6,6]HH)(O[6]C[6,6a])(C[5]C[5]CH)(O[5]C[5]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]CH)(CH3)(H){1|C<3>,1|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6,6a]C[5,6a])(C[5,6]C[5]C[6]O[5]){2|C<3>,3|H<1>,5|C<4>}	105.4425	0.359	2	105.4425	0.129	2	105.4425	0.129	2	105.4425	0.129	2	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	4:2:4:3:	4:4:1:1:	3:4:	C[5,6]-4:O[6]-2:C[5]-4:N-3:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]C)(O[6]C[6,6a])(C[5]C[5]HH)(NC[6a]H)	C[5](C[5,6]C[5,6]O[6]N)(C[5]C[5]HH)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]N)	C[5,6](C[5,6]C[5]N[6]C)(O[6]C[6,6a])(C[5]C[5]HH)(NC[6a]H){2|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]O[6]N)(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]N){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	102.6260	0.000	1	102.6260	0.000	1	102.6260	0.000	1	102.6260	0.000	1	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	4:2:4:4:	4:4:1:1:	3:4:	C[5,6]-4:O[6]-2:C[5]-4:C-4:	C[5,6]-4:C[5]-4: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[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]HH)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)	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[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	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>}	105.0990	0.000	1	108.5615	23.978	2	108.5615	23.978	2	108.5615	23.978	2	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	4:2:4:4:	4:4:1:1:	3:4:	C[5,6]-4:O[6]-2:C[5]-4:C-4:	C[5,6]-4:C[5]-4: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[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]HH)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)	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[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	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>}	112.0240	0.000	1	108.5615	23.978	2	108.5615	23.978	2	108.5615	23.978	2	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	4:2:4:4:	4:4:1:1:	4:3:	C[4,5,6]-4:O[6]-2:C[5]-4:C-4:	C[5,6]-4:C[5]-4: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[5](C[5,6]C[4,5,6]O[6]C)(C[5]C[4,5]HH)(H)2	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[5](C[5,6]C[4,5,6]O[6]C)(C[5]C[4,5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	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>}	110.3580	0.183	6	110.3580	0.034	6	110.3580	0.034	6	110.0890	3.409	9	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	4:2:4:4:	4:4:1:1:	4:3:	C[5,5,6]-4:O[6]-2:C[5]-4:C-4:	C[5,6]-4:C[5]-4: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[5](C[5,6]C[5,5,6]O[6]C)(C[5]C[5,5]HH)(H)2	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[5](C[5,6]C[5,5,6]O[6]C)(C[5]C[5,5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	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>}	112.6530	0.000	1	112.6530	0.000	1	112.6530	0.000	1	110.0890	3.409	9	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	4:2:4:4:	4:4:1:1:	4:3:	C[5,6,6]-4:O[6]-2:C[5]-4:C-4:	C[5,6]-4:C[5]-4: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[5](C[5,6]C[5,6,6]O[6]C)(C[5]C[5,6]HH)(H)2	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[5](C[5,6]C[5,6,6]O[6]C)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	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>}	108.0000	3.371	2	108.0000	11.367	2	108.0000	11.367	2	110.0890	3.409	9	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	4:3:2:3:	3:4:4:4:	3:4:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C[6,6a]-3:C[5,6]-4:	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]C[6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]C[6]H){1|H<1>,4|C<3>}	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>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5]){2|H<1>,3|C<4>,5|C<3>}	107.0687	1.584	6	107.0423	2.572	31	107.7392	3.936	46	107.7392	3.936	46	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	4:3:2:3:	3:4:4:4:	3:4:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C[6,6a]-3:C[5,6]-4:	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]C[6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]C[6]H){1|H<1>,4|C<3>}	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>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5]){2|H<1>,3|C<4>,5|C<3>}	105.3747	0.599	3	107.0423	2.572	31	107.7392	3.936	46	107.7392	3.936	46	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	4:3:2:3:	3:4:4:4:	3:4:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C[6,6a]-3:C[5,6]-4:	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]C[6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]C[6]H){1|H<1>,4|C<3>}	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>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5]){1|Br<1>,1|H<1>,3|C<4>,5|C<3>}	106.3870	2.301	2	107.0423	2.572	31	107.7392	3.936	46	107.7392	3.936	46	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	4:3:2:3:	3:4:4:4:	3:4:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C[6,6a]-3:C[5,6]-4:	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]C[6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]C[6]H){1|H<1>,4|C<3>}	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>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5]){1|H<1>,1|O<2>,3|C<4>,5|C<3>}	105.2160	0.000	1	107.0423	2.572	31	107.7392	3.936	46	107.7392	3.936	46	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	4:3:2:3:	3:4:4:4:	3:4:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C[6,6a]-3:C[5,6]-4:	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]C[6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]C[6]H){1|H<1>,4|C<3>}	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>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5]){2|H<1>,3|C<4>,5|C<3>}	107.4624	1.541	19	107.0423	2.572	31	107.7392	3.936	46	107.7392	3.936	46	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	4:3:2:3:	3:4:4:4:	3:4:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C[6,6a]-3:C[5,6]-4:	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]N[6]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]N[5])	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]N[6]C){4|C<3>}	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>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]N[5]){1|N<2>,4|C<4>,5|C<3>}	109.5430	0.000	1	109.5430	0.000	1	107.7392	3.936	46	107.7392	3.936	46	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	4:3:2:3:	3:4:4:4:	3:4:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C[6,6a]-3:C[5,6]-4:	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]N[6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]N[6]H){4|C<3>}	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>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5]){1|H<1>,1|N<2>,3|C<4>,5|C<3>}	106.1210	0.000	1	108.4919	1.898	8	107.7392	3.936	46	107.7392	3.936	46	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	4:3:2:3:	3:4:4:4:	3:4:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C[6,6a]-3:C[5,6]-4:	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]N[6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]N[6]H){4|C<3>}	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>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5]){1|N<2>,2|H<1>,3|C<4>,4|C<3>}	108.8306	1.069	7	108.4919	1.898	8	107.7392	3.936	46	107.7392	3.936	46	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	4:3:2:3:	3:4:4:4:	3:4:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C[6,6a]-3:C[5,6]-4:	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]N[6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]N[5])	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]N[6]H){4|C<3>}	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>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]N[5]){1|H<1>,1|N<2>,3|C<4>,5|C<3>}	106.2670	0.000	1	106.2670	0.000	1	107.7392	3.936	46	107.7392	3.936	46	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	4:3:2:3:	3:4:4:4:	3:4:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C[6,6a]-3:C[5,6]-4:	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]N[6]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]N[6]O){4|C<3>}	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>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5]){1|H<1>,1|N<2>,1|O<2>,3|C<4>,4|C<3>}	110.7890	1.946	5	110.7890	3.788	5	107.7392	3.936	46	107.7392	3.936	46	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	4:3:2:3:	3:4:4:4:	4:3:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C[5,6]-4:C[6,6]-3:	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6])(C[6]C[6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2	O[6](C[5,6]C[5]C[6]N[5])(C[6,6]C[6,6]C[6])	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6])(C[6]C[6]H){1|H<1>,4|C<3>}	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>}	O[6](C[5,6]C[5]C[6]N[5])(C[6,6]C[6,6]C[6]){1|N<3>,2|H<1>,3|C<4>,4|C<3>}	108.4322	0.662	4	108.4322	0.439	4	108.4322	0.439	4	108.4322	0.439	4	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	4:3:2:3:	4:4:4:4:	3:4:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C[6,6a]-3:C[5,6]-4:	C[5,6](C[5]C[5,6]CC)(N[5]C[5,6]C)(O[6]C[6,6a])(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6]Ru)(C[5,6]C[6]N[5]O[6])(CH3)2	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])	C[5,6](C[5]C[5,6]CC)(N[5]C[5,6]C)(O[6]C[6,6a])(C[6]C[6]H){1|Ru<11>,1|H<1>,2|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]Ru)(C[5,6]C[6]N[5]O[6])(CH3)2{2|C<3>,2|H<1>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5]){2|H<1>,3|C<3>,5|C<4>}	108.3780	0.206	2	108.3780	0.043	2	108.3780	0.043	2	108.3780	0.043	2	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	4:3:2:4:	3:4:4:4:	3:4:	C[5]-4:N[5]-3:O[6]-2:C[6]-4:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C[6,6a]-3:C[5,6]-4:	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]C[6]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]C[6]HH){1|H<1>,5|C<3>}	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>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5]){3|H<1>,4|C<3>,4|C<4>}	108.6605	0.490	2	108.6605	0.240	2	108.6605	0.240	2	108.6605	0.240	2	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	4:3:2:4:	4:2:1:1:	4:3:	C[5,6]-4:C[6a]-3:O[6]-2:C[5]-4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[6,6a]-3:	C[5,6](C[5,6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])(C[5]O[5]HH)	C[5](C[5,6]C[5,6]C[6a]O[6])(O[5]C[5,6])(H)2	O[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])	C[5,6](C[5,6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])(C[5]O[5]HH){3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6a]O[6])(O[5]C[5,6])(H)2{3|H<1>,4|C<3>}	O[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	108.8130	0.000	1	108.8130	0.000	1	108.8130	0.000	1	108.8130	0.000	1	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	4:3:4:2:	4:2:1:1:	4:3:	C[6]-4:N[5]-3:C[5]-4:O[6]-2:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[6]-3:	C[5,6](C[6]C[5,6]HH)(N[5]C[5,5]C)(C[5]O[5]HH)(O[6]C[6])	C[5](C[5,6]C[6]N[5]O[6])(O[5]C[5,5])(H)2	O[6](C[5,6]C[5]C[6]N[5])(C[6]N[6]O)	C[5,6](C[6]C[5,6]HH)(N[5]C[5,5]C)(C[5]O[5]HH)(O[6]C[6]){1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6]C[6]N[5]O[6])(O[5]C[5,5])(H)2{1|C<4>,2|H<1>,4|C<3>}	O[6](C[5,6]C[5]C[6]N[5])(C[6]N[6]O){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	108.9710	1.215	2	108.9710	1.476	2	108.9710	1.476	2	108.9710	1.476	2	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	4:4:2:1:	3:4:1:1:	4:3:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-3:	C[5,6](C[5,6]C[5,6a]N[5,6]H)(C[5]C[5,6a]HH)(O[6]C[6])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(H)2	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]O)	C[5,6](C[5,6]C[5,6a]N[5,6]H)(C[5]C[5,6a]HH)(O[6]C[6])(H){1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(H)2{1|N<3>,2|H<1>,3|C<3>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]O){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	107.3560	0.000	1	107.3560	0.000	1	107.3560	0.000	1	107.3560	0.000	1	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	4:4:2:1:	4:2:1:1:	4:3:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[6]-3:	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]HH)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(O[5]C[5,6])(H)2	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]HH)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5,6]C[5,6]O[6]H)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O){1|C<4>,2|O<2>,5|H<1>}	111.5630	0.000	1	111.5630	0.000	1	113.2630	5.780	2	113.2630	5.780	2	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	4:4:2:1:	4:2:1:1:	4:3:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]HH)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(O[5]C[5])(H)2	O[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]O)	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]HH)(O[6]C[6])(H){1|N<3>,1|O<1>,4|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(O[5]C[5])(H)2{1|C<3>,2|C<4>,2|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]O){1|O<2>,3|C<4>,3|H<1>}	114.9630	0.000	1	114.9630	0.000	1	113.2630	5.780	2	113.2630	5.780	2	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	4:4:2:1:	4:3:1:1:	4:3:	C[5,6,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-3: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])(H)	C[5](C[5,6]C[5,6,6]O[6]H)(C[5]O[5]O)(H)2	O[6](C[5,6]C[5,6,6]C[5]H)(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])(H){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[5](C[5,6]C[5,6,6]O[6]H)(C[5]O[5]O)(H)2{1|C<4>,2|C<3>}	O[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	106.4140	0.000	1	106.4140	0.000	1	106.4140	0.000	1	106.3150	0.020	2	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	4:4:2:1:	4:3:1:1:	4:3:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]O)(H)2	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(O[6]C[6])(H){1|C<3>,2|O<1>,3|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O){2|C<3>,2|C<4>,3|H<1>}	106.2160	0.000	1	106.2160	0.000	1	106.2160	0.000	1	106.3150	0.020	2	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	4:4:2:1:	4:4:1:1:	4:2:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:N[6]-2:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(O[6]N[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2	O[6](C[5,6]C[5,6]C[5]H)(N[6]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(O[6]N[6])(H){2|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<2>,3|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]){1|Cl<1>,3|C<4>,3|H<1>}	104.6640	0.000	1	104.6640	0.000	1	104.6640	0.000	1	104.6640	0.000	1	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	4:4:2:1:	4:4:1:1:	4:3:	C[5,5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-3:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5]C[5]HH)(O[6]C[6])(H)	C[5](C[5,6]C[5,5,6]O[6]H)(C[5]N[5,5]HH)(H)2	O[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5](C[5,6]C[5,5,6]O[6]H)(C[5]N[5,5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	O[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O){1|N<3>,2|C<4>,5|H<1>}	106.7850	0.000	1	106.7850	0.000	1	106.7850	0.000	1	109.0444	5.473	14	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	4:4:2:1:	4:4:1:1:	4:3:	C[5,6,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-3:	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(O[6]C[6])(H)	C[5](C[5,6]C[5,6,6]O[6]H)(C[5]C[5,6]HH)(H)2	O[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]O)	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(O[6]C[6])(H){2|H<1>,2|O<1>,3|C<4>}	C[5](C[5,6]C[5,6,6]O[6]H)(C[5]C[5,6]HH)(H)2{2|C<3>,3|C<4>}	O[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]O){1|C<3>,3|H<1>,4|C<4>}	108.2140	0.180	2	108.2140	0.032	2	108.2140	0.032	2	109.0444	5.473	14	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-3:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]O[6]H)(H)2	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(O[6]C[6])(H){1|O<1>,2|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]O[6]H)(H)2{1|C<3>,2|H<1>,5|C<4>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O){3|C<4>,5|H<1>}	108.3050	0.000	1	108.3050	0.000	1	108.3050	0.000	1	109.0444	5.473	14	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-3:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|C<4>,1|O<1>,2|S<2>,4|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O){3|C<4>,5|H<1>}	113.1940	0.000	1	113.1940	0.000	1	109.5104	6.880	10	109.0444	5.473	14	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2	O[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]O)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(O[6]C[6])(H){1|C<3>,1|N<3>,1|O<1>,5|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]O){1|C<3>,3|C<4>,3|H<1>}	105.9230	0.000	1	105.9230	0.000	1	109.5104	6.880	10	109.0444	5.473	14	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-3:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(H)2	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]O)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(H)2{1|H<1>,2|C<3>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	107.5230	0.000	1	107.5230	0.000	1	109.5104	6.880	10	109.0444	5.473	14	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-3:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]HH)(H)2	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]O)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]HH)(H)2{1|H<1>,2|C<3>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	107.1660	0.000	1	107.1660	0.000	1	109.5104	6.880	10	109.0444	5.473	14	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-3:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]HH)(H)2	O[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]O)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]O){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	108.1010	0.000	1	108.1010	0.000	1	109.5104	6.880	10	109.0444	5.473	14	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-3:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[6a]O[5]H)(H)2	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[6a]O[5]H)(H)2{1|C<4>,1|H<1>,3|C<3>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O){1|O<2>,2|C<4>,3|H<1>}	107.2750	0.000	1	107.2750	0.000	1	109.5104	6.880	10	109.0444	5.473	14	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-3:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]HO)(H)2	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|O<1>,2|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]HO)(H)2{1|C<3>,1|C<4>,1|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O){1|O<2>,2|C<4>,3|H<1>}	110.6245	0.733	2	110.6245	0.538	2	109.5104	6.880	10	109.0444	5.473	14	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	4:4:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-3:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]HO)(H)2	O[6](C[5,6]C[5,6]C[5]H)(C[6]S[6]S)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|O<2>,1|S<1>,1|S<2>,3|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]HO)(H)2{1|C<3>,1|C<4>,1|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]S[6]S){1|O<2>,2|C<4>,3|H<1>}	112.3365	0.235	2	112.3365	0.055	2	109.5104	6.880	10	109.0444	5.473	14	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	4:4:2:2:	4:4:1:1:	4:3:	C[5,6]-4:C[5]-4:O[6]-2:O[5]-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(O[6]C[5,6])(O[5]C[5])	C[5](C[5,6]C[5,6]O[5]O[6])(C[5]C[5]HH)(H)2	O[6](C[5,6]C[5,6]C[5]O[5])(C[5,6]C[5,6]C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(O[6]C[5,6])(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]O[5]O[6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	O[6](C[5,6]C[5,6]C[5]O[5])(C[5,6]C[5,6]C[5]){2|C<3>,4|C<4>,5|H<1>}	105.4850	0.110	2	105.4850	0.012	2	105.4850	0.012	2	105.4850	0.012	2	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	4:4:2:3:	4:4:2:1:	4:3:	C[5,5]-4:C[5]-4:O[6]-2:C[6]-3:	C[5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[6]C[6,6a])(C[6]C[6]C)	C[5](C[5,6]C[5,5]C[6]O[6])(C[5]C[5]O[5]H)(O[5]C[5,5])(H)	O[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])	C[5,6](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(O[6]C[6,6a])(C[6]C[6]C){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5](C[5,6]C[5,5]C[6]O[6])(C[5]C[5]O[5]H)(O[5]C[5,5])(H){1|C<4>,3|C<3>,3|O<2>,4|H<1>}	O[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a]){2|C<4>,2|O<2>,3|H<1>,4|C<3>}	105.0790	0.000	1	105.0790	0.000	1	105.0790	0.000	1	105.0790	0.000	1	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	4:4:2:4:	4:3:1:1:	4:2:	C[5,6]-4:C[5]-4:O[6]-2:C-4:	C[5,6]-4:C[5]-3: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[5](C[5,6]C[5,6]O[6]C)(C[5]C[6a]C[5])(H)2	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[5](C[5,6]C[5,6]O[6]C)(C[5]C[6a]C[5])(H)2{1|C<4>,1|H<1>,1|N<2>,3|C<3>}	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>}	100.7260	0.000	1	100.7260	0.000	1	100.7260	0.000	1	100.7260	0.000	1	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	4:4:2:4:	4:3:1:1:	4:3:	C[5,6,6]-4:C[5]-4:O[6]-2:C-4:	C[5,6]-4:C[5]-3: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[5](C[5,6]C[5,6,6]O[6]C)(C[5]O[5]O)(H)2	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[5](C[5,6]C[5,6,6]O[6]C)(C[5]O[5]O)(H)2{1|C<4>,2|C<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>}	103.5510	0.000	1	103.5510	0.000	1	103.5510	0.000	1	103.5510	0.000	1	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	4:4:2:4:	4:4:1:1:	4:3:	C[5,6]-4:C[5]-4:O[6]-2:C-4:	C[5,6]-4:C[5]-4: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[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]HH)(H)2	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[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	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>}	104.8120	0.000	1	104.8120	0.000	1	104.8120	0.000	1	104.8120	0.000	1	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	4:4:3:2:	3:4:1:1:	4:3:	C[5]-4:C[6]-4:C[5]-3:O[6]-2:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-3:	C[5,6](C[5]C[5,6a]HH)(C[6]C[6,6a]CH)(C[5]C[5,6a]O)(O[6]C[6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(H)2	O[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]O)	C[5,6](C[5]C[5,6a]HH)(C[6]C[6,6a]CH)(C[5]C[5,6a]O)(O[6]C[6]){1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(H)2{1|C<4>,1|O<1>,2|H<1>,4|C<3>}	O[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]O){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	112.6460	0.098	2	112.6460	0.010	2	112.6460	0.010	2	112.6460	0.010	2	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	4:4:3:2:	4:4:1:1:	4:3:	C[5,6]-4:C[5]-4:C[6]-3:O[6]-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-3:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]O[6]O)(O[6]C[6])	C[5](C[5,6]C[5,6]C[6]O[6])(C[5]C[5,6]HH)(H)2	O[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]O)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(C[6]O[6]O)(O[6]C[6]){1|O<1>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]O[6])(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	O[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]O){1|O<1>,1|O<2>,3|H<1>,5|C<4>}	105.4350	0.000	1	105.4350	0.000	1	105.4350	0.000	1	105.4350	0.000	1	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	4:4:3:2:	4:4:3:1:	4:3:	C[5,6]-4:C[5]-4:C[6a]-3:O[6]-2:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[6,6a]-3:	C[5,6](C[5,6]C[5,6]HO)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])	C[5](C[5,6]C[5,6]C[6a]O[6])(C[5]C[5,6]CH)(C[6a]C[6a]2)(H)	O[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])	C[5,6](C[5,6]C[5,6]HO)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a]){1|O<2>,3|H<1>,7|C<3>}	C[5](C[5,6]C[5,6]C[6a]O[6])(C[5]C[5,6]CH)(C[6a]C[6a]2)(H){2|O<2>,3|H<1>,6|C<3>}	O[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a]){1|O<2>,2|C<4>,3|H<1>,5|C<3>}	107.9820	0.025	2	107.9820	0.001	2	107.9820	0.001	2	107.9820	0.001	2	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	4:4:4:2:	4:4:1:1:	4:3:	C[3,5]-4:C[5]-4:C[6]-4:O[6]-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:	C[5,6](C[3,5]C[3,5,6]C[3,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(O[6]C[6,6])	C[5](C[5,6]C[3,5]C[6]O[6])(C[5]C[3,5,6]HH)(H)2	O[6](C[5,6]C[3,5]C[5]C[6])(C[6,6]C[6,6]C[6])	C[5,6](C[3,5]C[3,5,6]C[3,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(O[6]C[6,6]){1|C<3>,4|C<4>,4|H<1>}	C[5](C[5,6]C[3,5]C[6]O[6])(C[5]C[3,5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	O[6](C[5,6]C[3,5]C[5]C[6])(C[6,6]C[6,6]C[6]){2|C<3>,5|H<1>,6|C<4>}	110.3110	0.000	1	110.3110	0.000	1	108.5610	3.649	3	108.5610	3.649	3	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	4:4:4:2:	4:4:1:1:	4:3:	C[3,5]-4:C[5]-4:C[6]-4:O[6]-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:	C[5,6](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(C[6]C[6]HH)(O[6]C[6,6])	C[5](C[5,6]C[3,5]C[6]O[6])(C[5]C[3,5]HH)(H)2	O[6](C[5,6]C[3,5]C[5]C[6])(C[6,6]C[5,6]C[6,6])	C[5,6](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(C[6]C[6]HH)(O[6]C[6,6]){1|C<3>,2|C<4>,6|H<1>}	C[5](C[5,6]C[3,5]C[6]O[6])(C[5]C[3,5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	O[6](C[5,6]C[3,5]C[5]C[6])(C[6,6]C[5,6]C[6,6]){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	106.5230	0.000	1	106.5230	0.000	1	108.5610	3.649	3	108.5610	3.649	3	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	4:4:4:2:	4:4:1:1:	4:3:	C[3,5]-4:C[5]-4:C[6]-4:O[6]-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:	C[5,6](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(C[6]C[6]HH)(O[6]C[6,6])	C[5](C[5,6]C[3,5]C[6]O[6])(C[5]C[3,5]HH)(H)2	O[6](C[5,6]C[3,5]C[5]C[6])(C[6,6]C[6,6]C[6])	C[5,6](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(C[6]C[6]HH)(O[6]C[6,6]){1|C<3>,3|C<4>,5|H<1>}	C[5](C[5,6]C[3,5]C[6]O[6])(C[5]C[3,5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	O[6](C[5,6]C[3,5]C[5]C[6])(C[6,6]C[6,6]C[6]){2|C<3>,5|H<1>,6|C<4>}	108.8490	0.000	1	108.8490	0.000	1	108.5610	3.649	3	108.5610	3.649	3	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	4:4:4:2:	4:4:4:1:	4:3:	C[5]-4:C[5]-4:C[6]-4:O[6]-2:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[6]-3:	C[5,6](C[5]C[5]CH)(C[5]C[5]CO)(C[6]C[6]HH)(O[6]C[6])	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(CCCH)(H)	O[6](C[5,6]C[5]2C[6])(C[6]C[6]O)	C[5,6](C[5]C[5]CH)(C[5]C[5]CO)(C[6]C[6]HH)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O[6](C[5,6]C[5]2C[6])(C[6]C[6]O){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	108.8760	0.000	1	108.8760	0.000	1	108.8760	0.000	1	108.8760	0.000	1	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP2_SP3	C[5,6]	C[5]	O[6]	4:4:4:2:	4:4:4:2:	4:3:	C[5]-4:C[5]-4:C[6]-4:O[6]-2:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6]-4:C[6]-3:	C[5,6](C[5]C[5]CH)(C[5]C[5]CO)(C[6]C[6]HH)(O[6]C[6])	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(CH3)(OH)	O[6](C[5,6]C[5]2C[6])(C[6]C[6]O)	C[5,6](C[5]C[5]CH)(C[5]C[5]CO)(C[6]C[6]HH)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(CH3)(OH){1|C<3>,2|C<4>,5|H<1>}	O[6](C[5,6]C[5]2C[6])(C[6]C[6]O){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	103.8890	0.000	1	103.8890	0.000	1	103.8890	0.000	1	103.8890	0.000	1	108.1892	6.508	175	109.0377	11.076	291
474	474	622	0:SP3_SP3_SP3	C[3x5,6]	C[5,5]	O[6]	4:4:2:2:	4:4:3:3:	4:4:	C[5,5,6]-4:C[5,5]-4:O[5,5]-2:O[6]-2:	C[3x5,6]-4:C[3,5,5]-4:C[6a]-3:C[6a]-3:	C[3x5,6]-4:C[6]-4:	C[3x5,6](C[5,5,6]C[3,5,5]C[6]H)(C[5,5]C[3,5,5]C[6a]2)(O[5,5]C[3,5,5])(O[6]C[6])	C[5,5](C[3x5,6]C[5,5,6]O[5,5]O[6])(C[3,5,5]C[3,5,5]2H)(C[6a]C[6a]2)2	O[6](C[3x5,6]C[5,5,6]C[5,5]O[5,5])(C[6]C[6]HH)	C[3x5,6](C[5,5,6]C[3,5,5]C[6]H)(C[5,5]C[3,5,5]C[6a]2)(O[5,5]C[3,5,5])(O[6]C[6]){1|C<4>,5|C<3>,6|H<1>}	C[5,5](C[3x5,6]C[5,5,6]O[5,5]O[6])(C[3,5,5]C[3,5,5]2H)(C[6a]C[6a]2)2{2|C<4>,5|C<3>,6|H<1>}	O[6](C[3x5,6]C[5,5,6]C[5,5]O[5,5])(C[6]C[6]HH){2|C<3>,3|H<1>,4|C<4>}	117.1690	0.257	2	117.1690	0.066	2	117.1690	0.066	2	117.1690	0.066	2	117.1690	0.066	2	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,3x6]	C[5,3x6]	O[6]	4:4:2:2:	4:4:3:1:	4:4:	C[5,3x6]-4:C[3x6]-4:O[6]-2:O[5]-2:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[3x6]-4:	C[5,3x6](C[5,3x6]C[5,6,6]C[6,6]H)(C[3x6]C[3x6]O[6]H)(O[6]C[3x6])(O[5]C[5])	C[5,3x6](C[5,3x6]C[3x6]O[5]O[6])(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]C)(H)	O[6](C[5,3x6]C[5,3x6]C[3x6]O[5])(C[3x6]C[5,3x6]C[3x6]H)	C[5,3x6](C[5,3x6]C[5,6,6]C[6,6]H)(C[3x6]C[3x6]O[6]H)(O[6]C[3x6])(O[5]C[5]){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5,3x6](C[5,3x6]C[3x6]O[5]O[6])(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]C)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	O[6](C[5,3x6]C[5,3x6]C[3x6]O[5])(C[3x6]C[5,3x6]C[3x6]H){2|O<2>,3|C<3>,3|H<1>,4|C<4>}	112.3740	0.000	1	112.3740	0.000	1	112.3740	0.000	1	112.3740	0.000	1	112.3740	0.000	1	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,3x6]	C[5,6,6]	O[6,6]	4:3:4:2:	4:4:4:2:	4:2:	C[5,6,6]-4:C[5,6,6]-3:C[6,6]-4:O[6,6]-2:	C[5,3x6]-4:C[3x6]-4:C[6,6]-4:O[5]-2:	C[5,3x6]-4:O[6,6]-2:	C[5,3x6](C[5,6,6]C[3x6]C[6,6]O[5])(C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]HH)(O[6,6]O[6,6])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]O[6,6])(C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(O[5]C[5])	O[6,6](C[5,3x6]C[5,6,6]2C[6,6])(O[6,6]C[3x6])	C[5,3x6](C[5,6,6]C[3x6]C[6,6]O[5])(C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]HH)(O[6,6]O[6,6]){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]O[6,6])(C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(O[5]C[5]){1|O<1>,1|O<2>,2|C<4>,3|C<3>,5|H<1>}	O[6,6](C[5,3x6]C[5,6,6]2C[6,6])(O[6,6]C[3x6]){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	106.1850	0.000	1	106.1850	0.000	1	106.1850	0.000	1	106.1850	0.000	1	106.1850	0.000	1	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,3x6]	C[5,6]	O[6,6]	4:4:2:1:	4:4:4:1:	4:4:	C[5,5x6]-4:C[5,6]-4:O[6,6]-2:H-1:	C[5,3x6]-4:C[5]-4:C[6]-4:H-1:	C[5,3x6]-4:C[4x6]-4:	C[5,3x6](C[5,5x6]C[4x6]2C[5])(C[5,6]C[5]C[6]H)(O[6,6]C[4x6])(H)	C[5,6](C[5,3x6]C[5,5x6]O[6,6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	O[6,6](C[5,3x6]C[5,5x6]C[5,6]H)(C[4x6]C[5x6]O[3x6]H)	C[5,3x6](C[5,5x6]C[4x6]2C[5])(C[5,6]C[5]C[6]H)(O[6,6]C[4x6])(H){1|O<1>,2|O<2>,4|C<4>,5|H<1>}	C[5,6](C[5,3x6]C[5,5x6]O[6,6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	O[6,6](C[5,3x6]C[5,5x6]C[5,6]H)(C[4x6]C[5x6]O[3x6]H){1|C<3>,1|H<1>,6|C<4>}	112.8890	0.000	1	112.8890	0.000	1	112.8890	0.000	1	112.8890	0.000	1	114.8200	7.458	2	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,3x6]	C[5,6]	O[6,6]	4:4:2:3:	4:4:4:1:	4:4:	C[5,3x6]-4:C[5,6]-4:O[6,6]-2:C[6]-3:	C[5,3x6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:	C[5,3x6](C[5,3x6]C[6,6]2O[5])(C[5,6]C[5,6]C[6]H)(O[6,6]C[3x6])(C[6]C[6]O)	C[5,6](C[5,3x6]C[5,3x6]O[6,6]C[6])(C[5,6]C[6]O[5]C)(C[6]C[6]2H)(H)	O[6,6](C[5,3x6]C[5,3x6]C[5,6]C[6])(C[3x6]C[6,6]2C)	C[5,3x6](C[5,3x6]C[6,6]2O[5])(C[5,6]C[5,6]C[6]H)(O[6,6]C[3x6])(C[6]C[6]O){1|H<1>,1|O<1>,2|C<3>,7|C<4>}	C[5,6](C[5,3x6]C[5,3x6]O[6,6]C[6])(C[5,6]C[6]O[5]C)(C[6]C[6]2H)(H){1|O<1>,3|C<3>,3|C<4>,5|H<1>}	O[6,6](C[5,3x6]C[5,3x6]C[5,6]C[6])(C[3x6]C[6,6]2C){1|O<1>,1|O<2>,3|C<3>,3|C<4>,3|H<1>}	116.7510	0.000	1	116.7510	0.000	1	116.7510	0.000	1	116.7510	0.000	1	114.8200	7.458	2	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,3x6]	C[5]	O[6,6]	3:4:2:4:	4:2:1:1:	4:2:	C[5,6,6]-3:C[5,6,6]-4:O[6,6]-2:C[5]-4:	C[5,3x6]-4:O[5]-2:H-1:H-1:	C[5,3x6]-4:O[6,6]-2:	C[5,3x6](C[5,6,6]C[5,6,6]C[5])(C[5,6,6]C[6,6]C[5]C)(O[6,6]O[6,6])(C[5]O[5]HH)	C[5](C[5,3x6]C[5,6,6]2O[6,6])(O[5]C[5])(H)2	O[6,6](C[5,3x6]C[5,6,6]2C[5])(O[6,6]C[3x6])	C[5,3x6](C[5,6,6]C[5,6,6]C[5])(C[5,6,6]C[6,6]C[5]C)(O[6,6]O[6,6])(C[5]O[5]HH){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[5](C[5,3x6]C[5,6,6]2O[6,6])(O[5]C[5])(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O[6,6](C[5,3x6]C[5,6,6]2C[5])(O[6,6]C[3x6]){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	102.9450	0.000	1	102.9450	0.000	1	102.9450	0.000	1	102.9450	0.000	1	101.8454	5.899	10	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,3x6]	C[5]	O[6,6]	3:4:2:4:	4:2:1:1:	4:3:	C[5,6,6]-3:C[5,6,6]-4:O[6,6]-2:C[5]-4:	C[5,3x6]-4:O[5]-2:H-1:H-1:	C[5,3x6]-4:N[6,6]-3:	C[5,3x6](C[5,6,6]C[5,6,6]C[5])(C[5,6,6]C[6,6]C[5]C)(O[6,6]N[6,6])(C[5]O[5]HH)	C[5](C[5,3x6]C[5,6,6]2O[6,6])(O[5]C[5])(H)2	O[6,6](C[5,3x6]C[5,6,6]2C[5])(N[6,6]C[3x6]C)	C[5,3x6](C[5,6,6]C[5,6,6]C[5])(C[5,6,6]C[6,6]C[5]C)(O[6,6]N[6,6])(C[5]O[5]HH){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	C[5](C[5,3x6]C[5,6,6]2O[6,6])(O[5]C[5])(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	O[6,6](C[5,3x6]C[5,6,6]2C[5])(N[6,6]C[3x6]C){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	103.8360	0.160	2	103.8360	0.026	2	103.8360	0.026	2	103.8360	0.026	2	101.8454	5.899	10	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,3x6]	C[5]	O[6,6]	3:4:2:4:	4:4:1:1:	4:2:	N[5,6,6]-3:C[6,6]-4:O[6,6]-2:C[5]-4:	C[5,3x6]-4:C[5]-4:H-1:H-1:	C[5,3x6]-4:O[6,6]-2:	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]HH)(O[6,6]O[6,6])(C[5]C[5]HH)	C[5](C[5,3x6]N[5,6,6]C[6,6]O[6,6])(C[5]C[5]HH)(H)2	O[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(O[6,6]C[3x6])	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]HH)(O[6,6]O[6,6])(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[5](C[5,3x6]N[5,6,6]C[6,6]O[6,6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	O[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(O[6,6]C[3x6]){1|C<3>,4|C<4>,4|H<1>}	106.9290	0.000	1	106.9290	0.000	1	106.9290	0.000	1	106.9290	0.000	1	101.8454	5.899	10	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,3x6]	C[5]	O[6,6]	4:3:2:4:	4:3:1:1:	4:2:	C[5,3x6]-4:C[6,6]-3:O[6,6]-2:C[5]-4:	C[5,3x6]-4:C[5]-3:H-1:H-1:	C[5,3x6]-4:O[6,6]-2:	C[5,3x6](C[5,3x6]C[6,6]2N[5,6])(C[6,6]C[6,6]H)(O[6,6]O[6,6])(C[5]C[5]HH)	C[5](C[5,3x6]C[5,3x6]C[6,6]O[6,6])(C[5]N[5,6]O)(H)2	O[6,6](C[5,3x6]C[5,3x6]C[6,6]C[5])(O[6,6]C[3x6])	C[5,3x6](C[5,3x6]C[6,6]2N[5,6])(C[6,6]C[6,6]H)(O[6,6]O[6,6])(C[5]C[5]HH){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5](C[5,3x6]C[5,3x6]C[6,6]O[6,6])(C[5]N[5,6]O)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O[6,6](C[5,3x6]C[5,3x6]C[6,6]C[5])(O[6,6]C[3x6]){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	100.1513	0.417	6	100.1513	0.174	6	100.1513	0.174	6	100.1513	0.174	6	101.8454	5.899	10	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,4x6]	C[5,6,6]	O[6]	4:4:3:2:	4:3:2:4:	4:4:	C[5,6,6]-4:C[5,6,6]-4:C[3x6]-3:O[6]-2:	C[5,4x6]-4:C[6,6]-3:O[5]-2:C-4:	C[5,4x6]-4:C[6]-4:	C[5,4x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[3x6]C[6,6]C[6])(O[6]C[6])	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]O)(O[5]C[5])(CCHH)	O[6](C[5,4x6]C[5,6,6]2C[3x6])(C[6]C[6]HH)	C[5,4x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[3x6]C[6,6]C[6])(O[6]C[6]){2|O<1>,4|C<4>,5|H<1>}	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]O)(O[5]C[5])(CCHH){2|C<3>,2|H<1>,4|C<4>}	O[6](C[5,4x6]C[5,6,6]2C[3x6])(C[6]C[6]HH){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	108.4650	0.000	1	108.4650	0.000	1	108.6300	0.054	2	108.6300	0.054	2	111.1538	8.758	4	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,4x6]	C[5,6,6]	O[6]	4:4:3:2:	4:3:2:4:	4:4:	C[5,6,6]-4:C[5,6,6]-4:C[3x6]-3:O[6]-2:	C[5,4x6]-4:C[6,6]-3:O[5]-2:C-4:	C[5,4x6]-4:C[6]-4:	C[5,4x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[3x6]C[6,6]C[6])(O[6]C[6])	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]O)(O[5]C[5])(CCHH)	O[6](C[5,4x6]C[5,6,6]2C[3x6])(C[6]O[6]CC)	C[5,4x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[3x6]C[6,6]C[6])(O[6]C[6]){1|O<2>,2|O<1>,3|H<1>,5|C<4>}	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]O)(O[5]C[5])(CCHH){2|C<3>,2|H<1>,4|C<4>}	O[6](C[5,4x6]C[5,6,6]2C[3x6])(C[6]O[6]CC){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	108.7950	0.000	1	108.7950	0.000	1	108.6300	0.054	2	108.6300	0.054	2	111.1538	8.758	4	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,4x6]	C[5,6,6]	O[6]	4:4:3:2:	4:4:4:1:	4:4:	C[5,6,6]-4:C[5,6,6]-4:C[3x6]-3:O[6]-2:	C[5,4x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,4x6]-4:C[6]-4:	C[5,4x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[3x6]C[6,6]C[6])(O[6]C[6])	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H)	O[6](C[5,4x6]C[5,6,6]2C[3x6])(C[6]C[6]HH)	C[5,4x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[3x6]C[6,6]C[6])(O[6]C[6]){2|O<1>,4|C<4>,5|H<1>}	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H){1|H<1>,2|C<4>,3|C<3>}	O[6](C[5,4x6]C[5,6,6]2C[3x6])(C[6]C[6]HH){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	113.0680	0.000	1	113.0680	0.000	1	113.6775	0.743	2	113.6775	0.743	2	111.1538	8.758	4	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,4x6]	C[5,6,6]	O[6]	4:4:3:2:	4:4:4:1:	4:4:	C[5,6,6]-4:C[5,6,6]-4:C[3x6]-3:O[6]-2:	C[5,4x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,4x6]-4:C[6]-4:	C[5,4x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[3x6]C[6,6]C[6])(O[6]C[6])	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H)	O[6](C[5,4x6]C[5,6,6]2C[3x6])(C[6]O[6]CC)	C[5,4x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[3x6]C[6,6]C[6])(O[6]C[6]){1|O<2>,2|O<1>,3|H<1>,5|C<4>}	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]HH)(C[5]O[5]CC)(H){1|H<1>,2|C<4>,3|C<3>}	O[6](C[5,4x6]C[5,6,6]2C[3x6])(C[6]O[6]CC){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	114.2870	0.000	1	114.2870	0.000	1	113.6775	0.743	2	113.6775	0.743	2	111.1538	8.758	4	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,4x6]	C[5,6]	O[6,6]	4:4:4:2:	4:4:3:4:	4:4:	C[5,3x6]-4:C[5,6]-4:C[6,6]-4:O[6,6]-2:	C[5,4x6]-4:C[6]-4:C[5]-3:C-4:	C[5,4x6]-4:C[6,6]-4:	C[5,4x6](C[5,3x6]C[3x6]C[6]O[5])(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])	C[5,6](C[5,4x6]C[5,3x6]C[6,6]O[6,6])(C[6]C[6]HH)(C[5]O[5]O)(CH3)	O[6,6](C[5,4x6]C[5,3x6]C[5,6]C[6,6])(C[6,6]C[4x6]HH)	C[5,4x6](C[5,3x6]C[3x6]C[6]O[5])(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)(O[6,6]C[6,6]){1|O<1>,4|C<4>,8|H<1>}	C[5,6](C[5,4x6]C[5,3x6]C[6,6]O[6,6])(C[6]C[6]HH)(C[5]O[5]O)(CH3){4|C<4>,4|H<1>}	O[6,6](C[5,4x6]C[5,3x6]C[5,6]C[6,6])(C[6,6]C[4x6]HH){1|C<3>,1|O<2>,2|H<1>,6|C<4>}	115.1860	0.000	1	115.1860	0.000	1	115.1860	0.000	1	115.1860	0.000	1	115.1860	0.000	1	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,5,3x6]	C[5,6,6]	O[6]	4:4:2:2:	4:3:4:3:	4:4:	C[5,3x6]-4:C[5,6,6]-4:O[5,5]-2:O[6]-2:	C[5,5,3x6]-4:C[5,6]-3:C[6]-4:C-3:	C[5,5,3x6]-4:C[6]-4:	C[5,5,3x6](C[5,3x6]C[5,6]C[6]2)(C[5,6,6]C[5,6]C[6]C)(O[5,5]C[5,5,6])(O[6]C[6])	C[5,6,6](C[5,5,3x6]C[5,3x6]O[5,5]O[6])(C[5,6]C[5,5,6]O)(C[6]C[6]CC)(CCO)	O[6](C[5,5,3x6]C[5,3x6]C[5,6,6]O[5,5])(C[6]C[6]CC)	C[5,5,3x6](C[5,3x6]C[5,6]C[6]2)(C[5,6,6]C[5,6]C[6]C)(O[5,5]C[5,5,6])(O[6]C[6]){2|O<1>,4|H<1>,7|C<4>}	C[5,6,6](C[5,5,3x6]C[5,3x6]O[5,5]O[6])(C[5,6]C[5,5,6]O)(C[6]C[6]CC)(CCO){1|C<3>,1|H<1>,5|C<4>}	O[6](C[5,5,3x6]C[5,3x6]C[5,6,6]O[5,5])(C[6]C[6]CC){1|H<1>,1|O<2>,3|C<3>,4|C<4>}	110.9450	0.000	1	110.9450	0.000	1	110.9450	0.000	1	110.9450	0.000	1	110.9450	0.000	1	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,5,6,6]	C[3x5,6]	O[6]	4:3:3:2:	4:4:4:4:	4:4:	C[3x5,6]-4:C[5,6]-3:N[5,6]-3:O[6]-2:	C[5,5,6,6]-4:C[5,5]-4:C[5,6]-4:C[5]-4:	C[5,5,6,6]-4:C[6]-4:	C[5,5,6,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]O)(N[5,6]C[6]S[5])(O[6]C[6])	C[3x5,6](C[5,5,6,6]C[5,6]N[5,6]O[6])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]S[5]HH)	O[6](C[5,5,6,6]C[3x5,6]C[5,6]N[5,6])(C[6]C[6]HH)	C[5,5,6,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]O)(N[5,6]C[6]S[5])(O[6]C[6]){2|O<1>,4|C<4>,9|H<1>}	C[3x5,6](C[5,5,6,6]C[5,6]N[5,6]O[6])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]S[5]HH){2|C<4>,3|H<1>,3|O<1>}	O[6](C[5,5,6,6]C[3x5,6]C[5,6]N[5,6])(C[6]C[6]HH){1|O<1>,1|S<4>,2|H<1>,5|C<4>}	110.4280	0.000	1	110.4280	0.000	1	110.4280	0.000	1	110.4280	0.000	1	110.1105	0.202	2	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,5,6,6]	C[3x5,6]	O[6]	4:4:3:2:	4:4:4:4:	4:4:	C[3x5,6]-4:C[5,6]-4:N[5,6]-3:O[6]-2:	C[5,5,6,6]-4:C[5,5]-4:C[5,6]-4:C[5]-4:	C[5,5,6,6]-4:C[6]-4:	C[5,5,6,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HO)(N[5,6]C[6]S[5])(O[6]C[6])	C[3x5,6](C[5,5,6,6]C[5,6]N[5,6]O[6])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]S[5]HH)	O[6](C[5,5,6,6]C[3x5,6]C[5,6]N[5,6])(C[6]C[6]HH)	C[5,5,6,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HO)(N[5,6]C[6]S[5])(O[6]C[6]){2|O<1>,4|C<4>,9|H<1>}	C[3x5,6](C[5,5,6,6]C[5,6]N[5,6]O[6])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]S[5]HH){1|O<2>,2|C<4>,2|O<1>,4|H<1>}	O[6](C[5,5,6,6]C[3x5,6]C[5,6]N[5,6])(C[6]C[6]HH){1|O<2>,1|S<4>,3|H<1>,5|C<4>}	109.7930	0.000	1	109.7930	0.000	1	109.7930	0.000	1	109.7930	0.000	1	110.1105	0.202	2	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,5,6,6]	C[5,6]	O[6]	4:4:3:2:	4:4:2:1:	4:4:	C[3x5,6]-4:C[5,6]-4:N[5,6]-3:O[6]-2:	C[5,5,6,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6,6]-4:C[6]-4:	C[5,5,6,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HO)(N[5,6]C[6]S[5])(O[6]C[6])	C[5,6](C[5,5,6,6]C[3x5,6]N[5,6]O[6])(C[5,5,6]C[5,5]C[5,6]H)(OH)(H)	O[6](C[5,5,6,6]C[3x5,6]C[5,6]N[5,6])(C[6]C[6]HH)	C[5,5,6,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HO)(N[5,6]C[6]S[5])(O[6]C[6]){2|O<1>,4|C<4>,9|H<1>}	C[5,6](C[5,5,6,6]C[3x5,6]N[5,6]O[6])(C[5,5,6]C[5,5]C[5,6]H)(OH)(H){1|S<4>,2|H<1>,6|C<4>}	O[6](C[5,5,6,6]C[3x5,6]C[5,6]N[5,6])(C[6]C[6]HH){1|O<2>,1|S<4>,3|H<1>,5|C<4>}	110.6750	0.000	1	110.6750	0.000	1	110.6750	0.000	1	110.6750	0.000	1	110.6750	0.000	1	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,5,6,6]	C[5]	O[6,6]	4:2:4:3:	4:4:3:1:	4:4:	C[5,5,3x6]-4:O[6,6]-2:C[5]-4:C[5]-3:	C[5,5,6,6]-4:C[5]-4:C-3:H-1:	C[5,5,6,6]-4:C[3x6]-4:	C[5,5,6,6](C[5,5,3x6]C[5,6,6]C[6,6]O[5])(O[6,6]C[3x6])(C[5]C[5]CH)(C[5]C[5]C)	C[5](C[5,5,6,6]C[5,5,3x6]O[6,6]C[5])(C[5]C[5,6,6]HO)(CCO)(H)	O[6,6](C[5,5,6,6]C[5,5,3x6]C[5]2)(C[3x6]C[6,6]2H)	C[5,5,6,6](C[5,5,3x6]C[5,6,6]C[6,6]O[5])(O[6,6]C[3x6])(C[5]C[5]CH)(C[5]C[5]C){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[5](C[5,5,6,6]C[5,5,3x6]O[6,6]C[5])(C[5]C[5,6,6]HO)(CCO)(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	O[6,6](C[5,5,6,6]C[5,5,3x6]C[5]2)(C[3x6]C[6,6]2H){2|O<2>,3|C<3>,3|H<1>,4|C<4>}	109.1395	0.391	2	109.1395	0.153	2	109.4180	0.309	3	109.4180	0.309	3	109.4180	0.309	3	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,5,6,6]	C[5]	O[6,6]	4:2:4:3:	4:4:3:1:	4:4:	C[5,5,3x6]-4:O[6,6]-2:C[5]-4:C[5]-3:	C[5,5,6,6]-4:C[5]-4:C-3:H-1:	C[5,5,6,6]-4:C[3x6]-4:	C[5,5,6,6](C[5,5,3x6]C[5,6,6]C[6,6]O[5])(O[6,6]C[3x6])(C[5]C[5]CH)(C[5]C[5]C)	C[5](C[5,5,6,6]C[5,5,3x6]O[6,6]C[5])(C[5]C[5,6,6]HS)(CCO)(H)	O[6,6](C[5,5,6,6]C[5,5,3x6]C[5]2)(C[3x6]C[6,6]2C)	C[5,5,6,6](C[5,5,3x6]C[5,6,6]C[6,6]O[5])(O[6,6]C[3x6])(C[5]C[5]CH)(C[5]C[5]C){1|O<1>,1|S<2>,3|C<4>,4|H<1>}	C[5](C[5,5,6,6]C[5,5,3x6]O[6,6]C[5])(C[5]C[5,6,6]HS)(CCO)(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	O[6,6](C[5,5,6,6]C[5,5,3x6]C[5]2)(C[3x6]C[6,6]2C){2|O<2>,3|C<3>,3|H<1>,4|C<4>}	109.9750	0.000	1	109.9750	0.000	1	109.4180	0.309	3	109.4180	0.309	3	109.4180	0.309	3	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,5,6]	C[5,5,6]	O[6]	4:4:2:1:	4:4:4:1:	4:4:	C[5,5,6,6]-4:C[5,5,6]-4:O[6]-2:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(O[6]C[5,6])(H)	C[5,5,6](C[5,5,6]C[5,5,6,6]O[6]H)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]HH)(H)	O[6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[5,6]O[5]2O[6])	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(O[6]C[5,6])(H){3|O<2>,7|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6,6]O[6]H)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|O<2>,4|H<1>}	O[6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[5,6]O[5]2O[6]){2|C<3>,2|H<1>,4|C<4>}	111.2240	0.000	1	111.2240	0.000	1	111.2240	0.000	1	111.2240	0.000	1	111.0210	0.031	3	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,5,6]	C[5,5,6]	O[6]	4:4:4:2:	4:4:2:3:	4:4:	C[5,5,6]-4:C[5,5,6]-4:C[6]-4:O[6]-2:	C[5,5,6]-4:C[5,6]-4:O[5,6]-2:C[6a]-3:	C[5,5,6]-4:C[6]-4:	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C[6a])(C[5,5,6]C[5,6]2H)(C[6]C[6]HH)(O[6]C[6])	C[5,5,6](C[5,5,6]C[5,5,6]C[6]O[6])(C[5,6]C[5,6]CC)(O[5,6]C[5,6])(C[6a]C[6a]2)	O[6](C[5,5,6]C[5,5,6]2C[6])(C[6]C[6]HH)	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C[6a])(C[5,5,6]C[5,6]2H)(C[6]C[6]HH)(O[6]C[6]){2|C<3>,5|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[6]O[6])(C[5,6]C[5,6]CC)(O[5,6]C[5,6])(C[6a]C[6a]2){2|C<3>,4|C<4>,7|H<1>}	O[6](C[5,5,6]C[5,5,6]2C[6])(C[6]C[6]HH){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	110.9380	0.000	1	110.9380	0.000	1	110.9380	0.000	1	110.9380	0.000	1	111.0210	0.031	3	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,5,6]	C[5,5,6]	O[6]	4:4:4:2:	4:4:4:1:	4:4:	C[5,5,6]-4:C[5,5,6]-4:C[6]-4:O[6]-2:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[6]-4:	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C[6a])(C[5,5,6]C[5,6]2H)(C[6]C[6]HH)(O[6]C[6])	C[5,5,6](C[5,5,6]C[5,5,6]C[6]O[6])(C[5,6]C[5,6]HH)(C[5,6]O[5,6]CC)(H)	O[6](C[5,5,6]C[5,5,6]2C[6])(C[6]C[6]HH)	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C[6a])(C[5,5,6]C[5,6]2H)(C[6]C[6]HH)(O[6]C[6]){2|C<3>,5|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[6]O[6])(C[5,6]C[5,6]HH)(C[5,6]O[5,6]CC)(H){1|C<3>,2|H<1>,4|C<4>}	O[6](C[5,5,6]C[5,5,6]2C[6])(C[6]C[6]HH){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	110.9010	0.000	1	110.9010	0.000	1	110.9010	0.000	1	110.9010	0.000	1	111.0210	0.031	3	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,5,6]	C[5,5]	O[6]	3:4:4:2:	4:4:4:1:	4:4:	N[5,6]-3:C[5,5]-4:C[5]-4:O[6]-2:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5,6]-4:C[6]-4:	C[5,5,6](N[5,6]C[5,6,6]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(O[6]C[6])	C[5,5](C[5,5,6]N[5,6]C[5]O[6])(C[5]C[5]HH)2(H)	O[6](C[5,5,6]C[5,5]N[5,6]C[5])(C[6]C[5,6,6]HH)	C[5,5,6](N[5,6]C[5,6,6]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(O[6]C[6]){1|O<1>,2|C<4>,9|H<1>}	C[5,5](C[5,5,6]N[5,6]C[5]O[6])(C[5]C[5]HH)2(H){1|O<1>,2|C<4>,4|H<1>}	O[6](C[5,5,6]C[5,5]N[5,6]C[5])(C[6]C[5,6,6]HH){1|C<3>,4|H<1>,5|C<4>}	112.7640	3.626	2	112.7640	13.148	2	112.7640	13.148	2	112.7640	13.148	2	111.0280	12.019	6	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,5,6]	C[5,5]	O[6]	4:4:4:2:	4:4:2:2:	4:4:	C[5,5]-4:C[5,6]-4:C[5]-4:O[6]-2:	C[5,5,6]-4:C[5]-4:O[5]-2:O-2:	C[5,5,6]-4:C[6]-4:	C[5,5,6](C[5,5]C[5]O[5]O)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(O[6]C[6])	C[5,5](C[5,5,6]C[5,6]C[5]O[6])(C[5]C[5]HH)(O[5]C[5])(OH)	O[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)	C[5,5,6](C[5,5]C[5]O[5]O)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(O[6]C[6]){1|C<3>,1|C<4>,9|H<1>}	C[5,5](C[5,5,6]C[5,6]C[5]O[6])(C[5]C[5]HH)(O[5]C[5])(OH){1|C<3>,2|C<4>,6|H<1>}	O[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH){2|O<2>,4|C<4>,5|H<1>}	108.4680	0.000	2	108.4680	0.000	2	108.4680	0.000	2	108.4680	0.000	2	111.0280	12.019	6	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,5,6]	C[5,5]	O[6]	4:4:4:2:	4:4:4:1:	4:4:	C[5,6]-4:C[5,5]-4:C[5]-4:O[6]-2:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5,6]-4:C[6]-4:	C[5,5,6](C[5,6]C[6,6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(O[6]C[6])	C[5,5](C[5,5,6]C[5,6]C[5]O[6])(C[5]C[6a]O[5]H)(C[5]O[5]HH)(H)	O[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6,6a]CC)	C[5,5,6](C[5,6]C[6,6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(O[6]C[6]){2|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]C[5]O[6])(C[5]C[6a]O[5]H)(C[5]O[5]HH)(H){1|C<4>,3|C<3>,3|H<1>}	O[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6,6a]CC){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	111.8520	5.143	2	111.8520	26.456	2	111.8520	26.456	2	111.8520	26.456	2	111.0280	12.019	6	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,5,6]	C[5]	O[6]	3:4:4:2:	4:4:1:1:	4:4:	C[5,6a]-3:C[5,5,6]-4:C[5]-4:O[6]-2:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[6,6]-4:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5]2O[6])(C[5]C[5]HH)(O[6]C[6,6])	C[5](C[5,5,6]C[5,5,6]C[5,6a]O[6])(C[5]C[5]HH)(H)2	O[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6,6]C[3,6]C[6,6]O)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5]2O[6])(C[5]C[5]HH)(O[6]C[6,6]){1|C<4>,1|O<2>,3|C<3>,7|H<1>}	C[5](C[5,5,6]C[5,5,6]C[5,6a]O[6])(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6,6]C[3,6]C[6,6]O){2|O<2>,3|C<3>,3|H<1>,4|C<4>}	108.3110	0.000	1	108.3110	0.000	1	108.3110	0.000	1	109.4220	9.356	3	110.1043	22.456	12	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,5,6]	C[5]	O[6]	3:4:4:2:	4:4:1:1:	4:4:	N[5,6]-3:C[5,5]-4:C[5]-4:O[6]-2:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:	C[5,5,6](N[5,6]C[5,6,6]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(O[6]C[6])	C[5](C[5,5,6]C[5,5]N[5,6]O[6])(C[5]C[5]HH)(H)2	O[6](C[5,5,6]C[5,5]N[5,6]C[5])(C[6]C[5,6,6]HH)	C[5,5,6](N[5,6]C[5,6,6]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(O[6]C[6]){1|O<1>,2|C<4>,9|H<1>}	C[5](C[5,5,6]C[5,5]N[5,6]O[6])(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	O[6](C[5,5,6]C[5,5]N[5,6]C[5])(C[6]C[5,6,6]HH){1|C<3>,4|H<1>,5|C<4>}	109.9775	4.106	2	109.9775	16.861	2	109.9775	16.861	2	109.4220	9.356	3	110.1043	22.456	12	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,5,6]	C[5]	O[6]	4:3:4:2:	4:2:4:1:	4:4:	C[5,5,6,6]-4:C[5]-3:C[5]-4:O[6]-2:	C[5,5,6]-4:O[5]-2:C-4:H-1:	C[5,5,6]-4:C[6,6]-4:	C[5,5,6](C[5,5,6,6]C[3x6]C[5,6]C[5])(C[5]C[5,6]O)(C[5]O[5]CH)(O[6]C[6,6])	C[5](C[5,5,6]C[5,5,6,6]C[5]O[6])(O[5]C[5])(CH3)(H)	O[6](C[5,5,6]C[5,5,6,6]C[5]2)(C[6,6]C[6,6]2H)	C[5,5,6](C[5,5,6,6]C[3x6]C[5,6]C[5])(C[5]C[5,6]O)(C[5]O[5]CH)(O[6]C[6,6]){1|H<1>,1|O<1>,2|C<3>,5|C<4>}	C[5](C[5,5,6]C[5,5,6,6]C[5]O[6])(O[5]C[5])(CH3)(H){1|C<3>,2|O<1>,3|C<4>}	O[6](C[5,5,6]C[5,5,6,6]C[5]2)(C[6,6]C[6,6]2H){1|O<1>,1|O<2>,3|C<3>,3|H<1>,4|C<4>}	103.0500	0.000	1	103.0500	0.000	1	103.0500	0.000	1	103.0500	0.000	1	110.1043	22.456	12	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,5,6]	C[5]	O[6]	4:4:4:2:	4:2:1:1:	4:4:	C[5,6]-4:C[5,5]-4:C[5]-4:O[6]-2:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5,5,6]-4:C[6]-4:	C[5,5,6](C[5,6]C[6,6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(O[6]C[6])	C[5](C[5,5,6]C[5,5]C[5,6]O[6])(O[5]C[5])(H)2	O[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6,6a]CC)	C[5,5,6](C[5,6]C[6,6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(O[6]C[6]){2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5,6]C[5,5]C[5,6]O[6])(O[5]C[5])(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6,6a]CC){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	110.5515	6.280	2	110.5515	39.436	2	110.5515	39.436	2	110.5515	39.436	2	110.1043	22.456	12	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,5,6]	C[5]	O[6]	4:4:4:2:	4:3:1:1:	4:4:	C[5,5,6]-4:C[5]-4:C[5]-4:O[6]-2:	C[5,5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6a]2O[6])(C[5]C[5,6a]HH)2(O[6]C[5,5,6])	C[5](C[5,5,6]C[5,5,6]C[5]O[6])(C[5,6a]C[5,6a]C[6a])(H)2	O[6](C[5,5,6]C[5,5,6]C[5,6a]2)(C[5,5,6]C[5,5,6]C[5]2)	C[5,5,6](C[5,5,6]C[5,6a]2O[6])(C[5]C[5,6a]HH)2(O[6]C[5,5,6]){1|C<4>,6|C<3>}	C[5](C[5,5,6]C[5,5,6]C[5]O[6])(C[5,6a]C[5,6a]C[6a])(H)2{1|C<4>,1|O<2>,3|H<1>,4|C<3>}	O[6](C[5,5,6]C[5,5,6]C[5,6a]2)(C[5,5,6]C[5,5,6]C[5]2){1|O<2>,2|C<4>,4|H<1>,8|C<3>}	110.4197	6.132	4	110.4197	37.598	4	110.4197	37.598	4	110.4197	37.598	4	110.1043	22.456	12	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,5,6]	C[5]	O[6]	4:4:4:2:	4:4:1:1:	4:4:	C[5,5]-4:C[5,6]-4:C[5]-4:O[6]-2:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:	C[5,5,6](C[5,5]C[5]O[5]O)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(O[6]C[6])	C[5](C[5,5,6]C[5,5]C[5,6]O[6])(C[5]C[5]HH)(H)2	O[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)	C[5,5,6](C[5,5]C[5]O[5]O)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(O[6]C[6]){1|C<3>,1|C<4>,9|H<1>}	C[5](C[5,5,6]C[5,5]C[5,6]O[6])(C[5]C[5]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	O[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH){2|O<2>,4|C<4>,5|H<1>}	113.5770	0.000	2	113.5770	0.000	2	113.5770	0.000	2	113.5770	0.000	2	110.1043	22.456	12	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6,6]	C[5,5,6]	O[6]	4:2:4:2:	4:4:3:1:	4:4:	C[5,5,6]-4:S[5,6]-2:C[6]-4:O[6]-2:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,6,6]-4:C[6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(S[5,6]C[5,5,6])(C[6]O[6]CH)(O[6]C[6])	C[5,5,6](C[5,6,6]S[5,6]C[6]O[6])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	O[6](C[5,6,6]C[5,5,6]S[5,6]C[6])(C[6]C[6]CH)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(S[5,6]C[5,5,6])(C[6]O[6]CH)(O[6]C[6]){1|C<4>,2|C<3>,5|H<1>}	C[5,5,6](C[5,6,6]S[5,6]C[6]O[6])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<2>,2|C<4>,3|H<1>}	O[6](C[5,6,6]C[5,5,6]S[5,6]C[6])(C[6]C[6]CH){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	107.3850	0.000	1	107.3850	0.000	1	107.3850	0.000	1	107.3850	0.000	1	108.9827	2.749	13	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6,6]	C[5,5,6]	O[6]	4:3:4:2:	4:4:4:4:	4:4:	C[5,5,6]-4:C[6,6a]-3:C[5,6]-4:O[6]-2:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6,6]-4:P[6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]CC)(O[6]P[6])	C[5,5,6](C[5,6,6]C[6,6a]C[5,6]O[6])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(CH3)	O[6](C[5,6,6]C[5,5,6]C[6,6a]C[5,6])(P[6]C[6,6]NO)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]CC)(O[6]P[6]){1|N<3>,1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[5,5,6](C[5,6,6]C[6,6a]C[5,6]O[6])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(CH3){1|P<4>,2|C<3>,2|C<4>,3|H<1>}	O[6](C[5,6,6]C[5,5,6]C[6,6a]C[5,6])(P[6]C[6,6]NO){4|C<3>,6|C<4>}	109.1490	0.000	1	109.1490	0.000	1	109.1490	0.000	1	109.1490	0.000	1	108.9827	2.749	13	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6,6]	C[5,5,6]	O[6]	4:4:2:1:	4:4:4:1:	4:4:	C[5,5,6]-4:C[5,6,6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(O[6]C[6,6])(H)	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	O[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6]N[6,6]C[6a]O[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(O[6]C[6,6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,7|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<4>,4|H<1>}	O[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6]N[6,6]C[6a]O[6]){2|H<1>,4|C<3>,4|C<4>}	107.0480	0.000	1	107.0480	0.000	1	107.0480	0.000	1	107.0480	0.000	1	108.9827	2.749	13	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6,6]	C[5,5,6]	O[6]	4:4:2:1:	4:4:4:4:	4:4:	C[5,5,6,6]-4:C[5,5,6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6,6]-4:C[6]-4:	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,5]C[5,6]C)(O[6]C[6])(H)	C[5,5,6](C[5,6,6]C[5,5,6,6]O[6]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(CHHO)	O[6](C[5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]O[6]CC)	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,5]C[5,6]C)(O[6]C[6])(H){1|C<3>,1|O<2>,5|C<4>,7|H<1>}	C[5,5,6](C[5,6,6]C[5,5,6,6]O[6]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(CHHO){3|C<4>,3|H<1>}	O[6](C[5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]O[6]CC){6|C<4>}	109.0070	0.000	1	109.0070	0.000	1	109.0070	0.000	1	110.4805	1.058	6	108.9827	2.749	13	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6,6]	C[5,5,6]	O[6]	4:4:2:1:	4:4:4:4:	4:4:	C[5,5,6]-4:C[5,6,6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6,6]-4:C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]P[6]H)(O[6]C[5,6,6])(H)	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	O[6](C[5,6,6]C[5,5,6]C[5,6,6]H)2	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]P[6]H)(O[6]C[5,6,6])(H){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|C<4>,1|P<4>,4|H<1>}	O[6](C[5,6,6]C[5,5,6]C[5,6,6]H)2{1|P<4>,2|H<1>,8|C<4>}	111.2080	0.219	2	110.7375	0.885	4	110.7375	0.885	4	110.4805	1.058	6	108.9827	2.749	13	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6,6]	C[5,5,6]	O[6]	4:4:2:1:	4:4:4:4:	4:4:	C[5,5,6]-4:C[5,6,6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6,6]-4:C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]P[6]H)(O[6]C[5,6,6])(H)	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	O[6](C[5,6,6]C[5,5,6]C[5,6,6]H)2	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]P[6]H)(O[6]C[5,6,6])(H){1|C<3>,4|H<1>,5|C<4>}	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|C<4>,1|P<3>,4|H<1>}	O[6](C[5,6,6]C[5,5,6]C[5,6,6]H)2{1|P<3>,2|H<1>,8|C<4>}	110.2670	1.312	2	110.7375	0.885	4	110.7375	0.885	4	110.4805	1.058	6	108.9827	2.749	13	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6,6]	C[5,5,6]	O[6]	4:4:2:1:	4:4:4:4:	4:4:	C[5,6,6]-4:C[5,5,6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6,6]-4:C[6]-4:	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,5,6]C[5,5]C[5,6]C)(O[6]C[6])(H)	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	O[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[5,6]HH)	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,5,6]C[5,5]C[5,6]C)(O[6]C[6])(H){2|C<3>,3|C<4>,5|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|C<4>,1|N<3>,4|H<1>}	O[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[5,6]HH){1|H<1>,1|N<2>,1|N<3>,4|C<4>}	110.9260	0.000	1	110.9260	0.000	1	110.9260	0.000	1	110.4805	1.058	6	108.9827	2.749	13	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6,6]	C[5,5,6]	O[6]	4:4:4:2:	4:4:2:3:	4:4:	C[5,5,6]-4:C[5,6]-4:C[6]-4:O[6]-2:	C[5,6,6]-4:C[5,6]-4:O[5,5]-2:C[6a]-3:	C[5,6,6]-4:C[6]-4:	C[5,6,6](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(O[6]C[6])	C[5,5,6](C[5,6,6]C[5,6]C[6]O[6])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	O[6](C[5,6,6]C[5,5,6]C[5,6]C[6])(C[6]C[6]HH)	C[5,6,6](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(O[6]C[6]){2|C<3>,3|C<4>,6|H<1>}	C[5,5,6](C[5,6,6]C[5,6]C[6]O[6])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[6a]C[6a]2){2|C<3>,3|C<4>,8|H<1>}	O[6](C[5,6,6]C[5,5,6]C[5,6]C[6])(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	107.5775	0.081	4	107.5775	0.007	4	107.5775	0.007	4	107.5775	0.007	4	108.9827	2.749	13	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6,6]	C[5,6]	O[6]	4:3:4:2:	4:4:4:4:	4:4:	C[5,5,6]-4:C[6,6a]-3:C[5,6]-4:O[6]-2:	C[5,6,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,6,6]-4:P[6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]CC)(O[6]P[6])	C[5,6](C[5,6,6]C[5,5,6]C[6,6a]O[6])(C[5,5,6]C[5,5]C[5,6]H)(CH3)2	O[6](C[5,6,6]C[5,5,6]C[6,6a]C[5,6])(P[6]C[6,6]NO)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]CC)(O[6]P[6]){1|N<3>,1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,5,6]C[6,6a]O[6])(C[5,5,6]C[5,5]C[5,6]H)(CH3)2{1|P<4>,2|C<3>,2|C<4>,4|H<1>}	O[6](C[5,6,6]C[5,5,6]C[6,6a]C[5,6])(P[6]C[6,6]NO){4|C<3>,6|C<4>}	104.2310	0.000	1	104.2310	0.000	1	104.2310	0.000	1	104.2310	0.000	1	110.4939	12.122	20	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6,6]	C[5,6]	O[6]	4:4:2:1:	4:4:1:1:	4:4:	C[5,5,6,6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,5,6]HH)(O[6]C[5,6])(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[5,5,6,6]O[6]H)(H)2	O[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[5,6]O[5]2O[6])	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,5,6]HH)(O[6]C[5,6])(H){1|C<4>,3|O<2>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[5,5,6,6]O[6]H)(H)2{1|O<2>,2|C<4>,4|H<1>}	O[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[5,6]O[5]2O[6]){2|C<3>,3|C<4>,3|H<1>}	110.9410	0.000	1	110.9410	0.000	1	110.9410	0.000	1	110.9410	0.000	1	110.4939	12.122	20	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6,6]	C[5,6]	O[6]	4:4:2:1:	4:4:2:1:	4:4:	C[5,3x6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6,6]-4:Si[6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6]C[5,6]O[5]H)(O[6]Si[6])(H)	C[5,6](C[5,6,6]C[5,3x6]O[6]H)(C[5,6]C[5,6]O[5]H)(O[5]C[5])(H)	O[6](C[5,6,6]C[5,3x6]C[5,6]H)(Si[6]O[6]CC)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6]C[5,6]O[5]H)(O[6]Si[6])(H){1|O<1>,2|H<1>,3|O<2>,5|C<4>}	C[5,6](C[5,6,6]C[5,3x6]O[6]H)(C[5,6]C[5,6]O[5]H)(O[5]C[5])(H){1|Si<4>,1|O<1>,1|O<2>,4|C<4>}	O[6](C[5,6,6]C[5,3x6]C[5,6]H)(Si[6]O[6]CC){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	110.0860	0.641	2	110.0860	0.410	2	110.0860	0.410	2	112.0436	5.573	7	110.4939	12.122	20	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6,6]	C[5,6]	O[6]	4:4:2:1:	4:4:2:1:	4:4:	C[5,3x6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6]C[6]O[5]H)(O[6]C[5,6])(H)	C[5,6](C[5,6,6]C[5,3x6]O[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	O[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[5,6]C[5]2O[6])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6]C[6]O[5]H)(O[6]C[5,6])(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,3x6]O[6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<2>,2|H<1>,4|C<4>}	O[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[5,6]C[5]2O[6]){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	111.3790	0.000	1	111.3940	0.000	2	111.3940	0.000	2	112.0436	5.573	7	110.4939	12.122	20	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6,6]	C[5,6]	O[6]	4:4:2:1:	4:4:2:1:	4:4:	C[5,3x6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6]C[6]O[5]H)(O[6]C[5,6])(H)	C[5,6](C[5,6,6]C[5,3x6]O[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	O[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[5,6]C[5]2O[6])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6]C[6]O[5]H)(O[6]C[5,6])(H){2|O<2>,5|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,3x6]O[6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<2>,2|H<1>,4|C<4>}	O[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[5,6]C[5]2O[6]){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	111.4090	0.000	1	111.3940	0.000	2	111.3940	0.000	2	112.0436	5.573	7	110.4939	12.122	20	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6,6]	C[5,6]	O[6]	4:4:2:1:	4:4:2:1:	4:4:	C[5,3x6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	C[5,6](C[5,6,6]C[5,3x6]O[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	O[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]O[6]CC)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6]C[6]O[5]H)(O[6]C[6])(H){2|O<2>,5|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,3x6]O[6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<2>,2|H<1>,4|C<4>}	O[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]O[6]CC){1|H<1>,1|O<2>,4|C<4>}	110.6000	0.000	1	110.6000	0.000	1	110.6000	0.000	1	112.0436	5.573	7	110.4939	12.122	20	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6,6]	C[5,6]	O[6]	4:4:2:1:	4:4:2:1:	4:4:	C[5,5,6,6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,6,6]-4:C[6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,6,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(O[6]C[6,6])(H)	C[5,6](C[5,6,6]C[5,5,6,6]O[6]H)(C[5,5,6]O[5,5]O[5,6]C)(OC)(H)	O[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]H)	C[5,6,6](C[5,5,6,6]C[5,6,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(O[6]C[6,6])(H){1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6,6]C[5,5,6,6]O[6]H)(C[5,5,6]O[5,5]O[5,6]C)(OC)(H){1|H<1>,2|C<4>}	O[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]H){3|C<4>,3|O<2>,5|H<1>}	115.0040	0.000	1	115.0040	0.000	1	115.3725	0.272	2	112.0436	5.573	7	110.4939	12.122	20	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6,6]	C[5,6]	O[6]	4:4:2:1:	4:4:2:1:	4:4:	C[5,5,6,6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,6,6]-4:C[6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,6,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(O[6]C[6,6])(H)	C[5,6](C[5,6,6]C[5,5,6,6]O[6]H)(C[5,5,6]O[5,5]O[5,6]C)(OH)(H)	O[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]H)	C[5,6,6](C[5,5,6,6]C[5,6,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(O[6]C[6,6])(H){1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6,6]C[5,5,6,6]O[6]H)(C[5,5,6]O[5,5]O[5,6]C)(OH)(H){1|H<1>,2|C<4>}	O[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]H){3|C<4>,3|O<2>,5|H<1>}	115.7410	0.000	1	115.7410	0.000	1	115.3725	0.272	2	112.0436	5.573	7	110.4939	12.122	20	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6,6]	C[5,6]	O[6]	4:4:2:1:	4:4:3:1:	4:4:	C[5,4x6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6]-4:	C[5,6,6](C[5,4x6]C[3x6]C[4x6]C[5])(C[5,6]C[5]C[6]H)(O[6]C[6])(H)	C[5,6](C[5,6,6]C[5,4x6]O[6]H)(C[6]C[6]HH)(C[5]C[5]C)(H)	O[6](C[5,6,6]C[5,4x6]C[5,6]H)(C[6]O[6]CC)	C[5,6,6](C[5,4x6]C[3x6]C[4x6]C[5])(C[5,6]C[5]C[6]H)(O[6]C[6])(H){1|C<3>,1|O<1>,2|O<2>,3|H<1>,5|C<4>}	C[5,6](C[5,6,6]C[5,4x6]O[6]H)(C[6]C[6]HH)(C[5]C[5]C)(H){1|O<1>,2|H<1>,3|C<4>}	O[6](C[5,6,6]C[5,4x6]C[5,6]H)(C[6]O[6]CC){1|H<1>,2|C<3>,3|C<4>}	108.1405	0.928	2	108.1405	0.862	2	108.1405	0.862	2	108.1405	0.862	2	110.4939	12.122	20	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6,6]	C[5,6]	O[6]	4:4:2:2:	4:4:4:1:	4:4:	C[5,6]-4:C[6,6]-4:O[6]-2:O[5]-2:	C[5,6,6]-4:C[5,6]-4:C-4:H-1:	C[5,6,6]-4:C[6,6]-4:	C[5,6,6](C[5,6]C[5,6]CH)(C[6,6]C[6]2O)(O[6]C[6,6])(O[5]C[5])	C[5,6](C[5,6,6]C[6,6]O[5]O[6])(C[5,6]C[5]C[6]H)(CH3)(H)	O[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6,6]C[6,6]C[6]H)	C[5,6,6](C[5,6]C[5,6]CH)(C[6,6]C[6]2O)(O[6]C[6,6])(O[5]C[5]){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[6,6]O[5]O[6])(C[5,6]C[5]C[6]H)(CH3)(H){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	O[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6,6]C[6,6]C[6]H){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	112.1470	0.000	1	112.1470	0.000	1	112.1470	0.000	1	112.1470	0.000	1	110.4939	12.122	20	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6,6]	C[5,6]	O[6]	4:4:4:2:	4:3:3:2:	4:4:	C[5,6]-4:C[5,6]-4:C[6]-4:O[6]-2:	C[5,6,6]-4:C[6,6a]-3:C[5]-3:O-2:	C[5,6,6]-4:C[6]-4:	C[5,6,6](C[5,6]C[6,6a]C[5]O)(C[5,6]C[5]C[6]O)(C[6]C[6]HH)(O[6]C[6])	C[5,6](C[5,6,6]C[5,6]C[6]O[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]C)(OSi)	O[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)	C[5,6,6](C[5,6]C[6,6a]C[5]O)(C[5,6]C[5]C[6]O)(C[6]C[6]HH)(O[6]C[6]){1|C<4>,1|O<1>,1|O<2>,3|C<3>,5|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6]O[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]C)(OSi){2|C<4>,2|O<2>,3|C<3>,4|H<1>}	O[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH){2|C<4>,2|O<2>,3|C<3>,4|H<1>}	103.6305	0.409	2	103.6305	0.168	2	103.6305	0.168	2	103.6305	0.168	2	110.4939	12.122	20	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6,6]	C[5,6]	O[6]	4:4:4:2:	4:3:4:2:	4:4:	C[5,6]-4:C[5,6]-4:C[6]-4:O[6]-2:	C[5,6,6]-4:C[6]-3:C[5]-4:O-2:	C[5,6,6]-4:C[6]-4:	C[5,6,6](C[5,6]C[6,6a]C[5]O)(C[5,6]C[5]C[6]O)(C[6]C[6]HH)(O[6]C[6])	C[5,6](C[5,6,6]C[5,6]C[6]O[6])(C[6]C[6,6a]O)(C[5]C[5]HO)(OC)	O[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)	C[5,6,6](C[5,6]C[6,6a]C[5]O)(C[5,6]C[5]C[6]O)(C[6]C[6]HH)(O[6]C[6]){1|C<4>,1|O<1>,1|O<2>,3|C<3>,5|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6]O[6])(C[6]C[6,6a]O)(C[5]C[5]HO)(OC){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	O[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH){2|C<4>,2|O<2>,3|C<3>,4|H<1>}	110.7675	0.177	2	110.7675	0.032	2	110.7675	0.032	2	110.7675	0.032	2	110.4939	12.122	20	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6,6]	C[5,6]	O[6]	4:4:4:2:	4:4:1:1:	4:4:	C[5,5,6]-4:C[5,6]-4:C[6]-4:O[6]-2:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:	C[5,6,6](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(O[6]C[6])	C[5,6](C[5,6,6]C[5,5,6]C[6]O[6])(C[5,5,6]C[5,6]O[5,5]C)(H)2	O[6](C[5,6,6]C[5,5,6]C[5,6]C[6])(C[6]C[6]HH)	C[5,6,6](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(O[6]C[6]){2|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,5,6]C[6]O[6])(C[5,5,6]C[5,6]O[5,5]C)(H)2{1|C<3>,3|C<4>,4|H<1>}	O[6](C[5,6,6]C[5,5,6]C[5,6]C[6])(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	113.2945	0.119	4	113.2945	0.014	4	113.2945	0.014	4	113.2945	0.014	4	110.4939	12.122	20	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6,6]	C[5]	O[6,6]	3:2:4:3:	4:3:1:1:	4:4:	N[5,6]-3:O[6,6]-2:C[5]-4:C[6]-3:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5,6,6]-4:C[3x6]-4:	C[5,6,6](N[5,6]C[6,6a]C[5])(O[6,6]C[3x6])(C[5]C[5]HH)(C[6]C[6]H)	C[5](C[5,6,6]N[5,6]O[6,6]C[6])(C[5]C[5]H)(H)2	O[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[3x6]C[6,6,6a]C[6]2)	C[5,6,6](N[5,6]C[6,6a]C[5])(O[6,6]C[3x6])(C[5]C[5]HH)(C[6]C[6]H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6,6]N[5,6]O[6,6]C[6])(C[5]C[5]H)(H)2{1|C<4>,2|C<3>,3|H<1>}	O[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[3x6]C[6,6,6a]C[6]2){1|O<2>,2|C<4>,4|C<3>,6|H<1>}	107.6120	0.000	1	107.6120	0.000	1	107.6120	0.000	1	107.6120	0.000	1	108.6839	1.817	8	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6,6]	C[5]	O[6,6]	3:2:4:4:	4:4:1:1:	4:4:	C[5,6]-3:O[6,6]-2:C[5]-4:C[6]-4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:	C[5,6,6](C[5,6]C[5]C[6])(O[6,6]C[5,6,6])(C[5]C[5]HH)(C[6]C[6]CH)	C[5](C[5,6,6]C[5,6]O[6,6]C[6])(C[5]C[5]HH)(H)2	O[6,6](C[5,6,6]C[5,6]C[5]C[6])2	C[5,6,6](C[5,6]C[5]C[6])(O[6,6]C[5,6,6])(C[5]C[5]HH)(C[6]C[6]CH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6,6]C[5,6]O[6,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	O[6,6](C[5,6,6]C[5,6]C[5]C[6])2{4|C<3>,5|C<4>,5|H<1>}	107.8970	0.000	1	107.8970	0.000	1	107.8970	0.000	1	107.8970	0.000	1	108.6839	1.817	8	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6,6]	C[5]	O[6,6]	4:2:4:2:	4:4:1:1:	4:4:	C[5,6]-4:O[6,6]-2:C[5]-4:O[6]-2:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[3x6]-4:	C[5,6,6](C[5,6]C[5]C[6]H)(O[6,6]C[3x6])(C[5]C[5]HH)(O[6]C[6])	C[5](C[5,6,6]C[5,6]O[6,6]O[6])(C[5]C[5]HH)(H)2	O[6,6](C[5,6,6]C[5,6]C[5]O[6])(C[3x6]C[6,6]2C[6])	C[5,6,6](C[5,6]C[5]C[6]H)(O[6,6]C[3x6])(C[5]C[5]HH)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[5](C[5,6,6]C[5,6]O[6,6]O[6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	O[6,6](C[5,6,6]C[5,6]C[5]O[6])(C[3x6]C[6,6]2C[6]){1|O<1>,2|C<3>,3|H<1>,6|C<4>}	109.1220	0.000	1	109.1220	0.000	1	109.1220	0.000	1	109.1220	0.000	1	108.6839	1.817	8	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6,6]	C[5]	O[6,6]	4:2:4:4:	4:4:1:1:	4:4:	C[5,3x6]-4:O[6,6]-2:C[5]-4:C-4:	C[5,6,6]-4:C[5]-4: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[5](C[5,6,6]C[5,3x6]O[6,6]C)(C[5]C[5,6,6]HH)(H)2	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[5](C[5,6,6]C[5,3x6]O[6,6]C)(C[5]C[5,6,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	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>}	108.4375	0.226	2	108.4375	0.051	2	108.4375	0.051	2	108.4375	0.051	2	108.6839	1.817	8	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6,6]	C[5]	O[6,6]	4:2:4:4:	4:4:2:1:	4:4:	C[5,3x6]-4:O[6,6]-2:C[5]-4:C-4:	C[5,6,6]-4:C[5]-4:O-2: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[5](C[5,6,6]C[5,3x6]O[6,6]C)(C[5]C[5,6,6]HH)(OC)(H)	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[5](C[5,6,6]C[5,3x6]O[6,6]C)(C[5]C[5,6,6]HH)(OC)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	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>}	106.8850	0.000	1	106.8850	0.000	1	106.8850	0.000	1	106.8850	0.000	1	108.6839	1.817	8	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6,6]	C[5]	O[6,6]	4:4:2:1:	4:3:1:1:	4:4:	C[5,4x6]-4:C[5]-4:O[6,6]-2:H-1:	C[5,6,6]-4:N[5,6]-3:H-1:H-1:	C[5,6,6]-4:C[3x6]-4:	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6a]C[6,6])(C[5]N[5,6]HH)(O[6,6]C[3x6])(H)	C[5](C[5,6,6]C[5,4x6]O[6,6]H)(N[5,6]C[5,3x6]C[6])(H)2	O[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2H)	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6a]C[6,6])(C[5]N[5,6]HH)(O[6,6]C[3x6])(H){2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6,6]C[5,4x6]O[6,6]H)(N[5,6]C[5,3x6]C[6])(H)2{2|C<4>,3|C<3>,3|H<1>}	O[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	111.0210	0.000	1	111.0210	0.000	1	111.0210	0.000	1	111.0210	0.000	1	108.6839	1.817	8	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6,6]	C[5]	O[6,6]	4:4:2:1:	4:4:1:1:	4:4:	C[5,3x6]-4:C[5]-4:O[6,6]-2:H-1:	C[5,5]-4:C[5,6,6]-4:H-1:H-1:	C[3x6]-4:C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,5,6,6]O[6,6]O)(C[5]C[5,5]HH)(O[6,6]C[3x6])(H)	C[5](C[5,5]C[5,5,6,6]C[5]C[6])(C[5,6,6]C[5,3x6]O[6,6]H)(H)2	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)	C[5,6,6](C[5,3x6]C[5,5,6,6]O[6,6]O)(C[5]C[5,5]HH)(O[6,6]C[3x6])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5](C[5,5]C[5,5,6,6]C[5]C[6])(C[5,6,6]C[5,3x6]O[6,6]H)(H)2{1|H<1>,1|O<1>,4|C<4>,4|O<2>}	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H){2|C<4>,3|O<2>,5|H<1>}	110.0590	0.000	1	110.0590	0.000	1	110.0590	0.000	1	110.0590	0.000	1	108.6839	1.817	8	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6,6]	C[5]	O[6]	4:2:4:2:	4:4:1:1:	4:4:	C[6,6]-4:O[5,6]-2:C[5]-4:O[6]-2:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:	C[5,6,6](C[6,6]C[6]O[6]H)(O[5,6]C[5,6])(C[5]C[5]HH)(O[6]C[6])	C[5](C[5,6,6]C[6,6]O[5,6]O[6])(C[5]C[5,6]HH)(H)2	O[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HH)	C[5,6,6](C[6,6]C[6]O[6]H)(O[5,6]C[5,6])(C[5]C[5]HH)(O[6]C[6]){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5](C[5,6,6]C[6,6]O[5,6]O[6])(C[5]C[5,6]HH)(H)2{1|H<1>,2|O<2>,3|C<4>}	O[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HH){1|O<2>,3|C<4>,5|H<1>}	111.9320	0.000	1	111.9320	0.000	1	111.9320	0.000	1	111.9320	0.000	1	108.8546	18.892	5	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6,6]	C[5]	O[6]	4:3:4:2:	4:4:1:1:	4:4:	C[5,6,6]-4:C[6,6]-3:C[5]-4:O[6]-2:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6,6]C[4x6]C[6])(C[5]C[5]HH)(O[6]C[6])	C[5](C[5,6,6]C[5,6,6]C[6,6]O[6])(C[5]C[5]HH)(H)2	O[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]O[6]CC)	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6,6]C[4x6]C[6])(C[5]C[5]HH)(O[6]C[6]){2|O<2>,7|C<4>,7|H<1>}	C[5](C[5,6,6]C[5,6,6]C[6,6]O[6])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	O[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]O[6]CC){1|C<3>,2|H<1>,5|C<4>}	102.8000	0.000	1	102.8000	0.000	1	102.8000	0.000	1	102.8000	0.000	1	108.8546	18.892	5	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6,6]	C[5]	O[6]	4:4:3:2:	4:4:1:1:	4:4:	C[5,6,6]-4:C[5]-4:C[6]-3:O[6]-2:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:	C[5,6,6](C[5,6,6]N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]H)(O[6]C[6])	C[5](C[5,6,6]C[5,6,6]C[6]O[6])(C[5]C[5]HH)(H)2	O[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[5,6]HH)	C[5,6,6](C[5,6,6]N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]H)(O[6]C[6]){3|C<3>,9|H<1>}	C[5](C[5,6,6]C[5,6,6]C[6]O[6])(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	O[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[5,6]HH){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	105.6460	0.000	1	105.6460	0.000	1	105.6460	0.000	1	105.6460	0.000	1	108.8546	18.892	5	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6,6]	C[5]	O[6]	4:4:4:2:	4:4:2:1:	4:4:	C[5,6,6]-4:C[5]-4:C[6]-4:O[6]-2:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(O[6]C[6])	C[5](C[5,6,6]C[5,6,6]C[6]O[6])(C[5]N[6a]O[5]H)(OC)(H)	O[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(O[6]C[6]){1|C<4>,2|N<3>,6|H<1>}	C[5](C[5,6,6]C[5,6,6]C[6]O[6])(C[5]N[6a]O[5]H)(OC)(H){2|C<3>,3|C<4>,3|H<1>}	O[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH){3|C<4>,3|O<2>,5|H<1>}	111.8750	0.000	1	111.8750	0.000	1	111.9475	0.011	2	111.9475	0.011	2	108.8546	18.892	5	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6,6]	C[5]	O[6]	4:4:4:2:	4:4:2:1:	4:4:	C[5,6,6]-4:C[5]-4:C[6]-4:O[6]-2:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(O[6]C[6])	C[5](C[5,6,6]C[5,6,6]C[6]O[6])(C[5]O[5]HS)(OC)(H)	O[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(O[6]C[6]){1|C<4>,1|N<3>,1|S<2>,6|H<1>}	C[5](C[5,6,6]C[5,6,6]C[6]O[6])(C[5]O[5]HS)(OC)(H){3|C<4>,3|H<1>}	O[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH){3|C<4>,3|O<2>,5|H<1>}	112.0200	0.000	1	112.0200	0.000	1	111.9475	0.011	2	111.9475	0.011	2	108.8546	18.892	5	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O[6]	4:4:2:1:	4:4:4:4:	4:4:	C[5,5,6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6]C[5]C[6]H)(O[6]C[6])(H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,6]O[6]H)(C[5,6]C[5,5,6]HO)(C[5]C[5]HH)	O[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]O[6]CC)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6]C[5]C[6]H)(O[6]C[6])(H){2|O<2>,6|H<1>,7|C<4>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,6]O[6]H)(C[5,6]C[5,5,6]HO)(C[5]C[5]HH){1|C<3>,4|C<4>,6|H<1>}	O[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]O[6]CC){1|H<1>,5|C<4>}	106.6410	0.000	1	106.6410	0.000	1	106.6410	0.000	1	106.6410	0.000	1	106.6410	0.000	1	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5,5]	O[6]	4:3:2:1:	4:4:2:1:	4:4:	C[5,5]-4:N[5,6]-3:O[6]-2:H-1:	C[5,5]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(N[5,6]C[5,6]C)(O[6]C[6])(H)	C[5,5](C[5,5]C[5,6]O[5]H)(C[5,6]N[5,6]O[6]H)(O[5]C[5])(H)	O[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]HH)	C[5,6](C[5,5]C[5,5]O[5]H)(N[5,6]C[5,6]C)(O[6]C[6])(H){1|O<2>,2|C<4>,4|H<1>}	C[5,5](C[5,5]C[5,6]O[5]H)(C[5,6]N[5,6]O[6]H)(O[5]C[5])(H){1|H<1>,5|C<4>}	O[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]HH){1|O<2>,1|S<4>,2|H<1>,3|C<4>}	112.3220	0.000	1	112.3220	0.000	1	112.3220	0.000	1	112.3220	0.000	1	107.5264	9.432	31	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5,5]	O[6]	4:3:2:1:	4:4:4:2:	4:4:	C[5,5]-4:C[5,6]-3:O[6]-2:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6]-4:	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[5,6]O)(O[6]C[6])(H)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(OC)	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[5,6]O)(O[6]C[6])(H){3|C<4>,6|H<1>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(OC){1|O<1>,2|C<4>,5|H<1>}	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	114.1040	0.000	1	114.1040	0.000	1	114.1040	0.000	1	114.1040	0.000	1	107.5264	9.432	31	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5,5]	O[6]	4:3:3:2:	4:4:3:1:	4:4:	C[5,5]-4:C[5,6]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[5,5]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[6,6a]C[5])(C[6a]C[6a]2)(O[6]C[6])	C[5,5](C[5,6]C[5,6]C[6a]O[6])(C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(H)	O[6](C[5,6]C[5,5]C[5,6]C[6a])(C[6]C[6,6a]HH)	C[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[6,6a]C[5])(C[6a]C[6a]2)(O[6]C[6]){1|S<4>,5|H<1>,7|C<3>}	C[5,5](C[5,6]C[5,6]C[6a]O[6])(C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(H){1|C<4>,6|C<3>}	O[6](C[5,6]C[5,5]C[5,6]C[6a])(C[6]C[6,6a]HH){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	106.2805	0.579	2	106.2805	0.335	2	106.2805	0.335	2	106.2805	0.335	2	107.5264	9.432	31	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5,5]	O[6]	4:4:2:1:	3:4:4:1:	4:4:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6a]-3:C[5,6]-4:C[5,5]-4:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[5]C[6]H)(O[6]C[6])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(C[5,5]C[5]N[5]H)(H)	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[5]C[6]H)(O[6]C[6])(H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(C[5,5]C[5]N[5]H)(H){2|C<4>,3|C<3>,4|H<1>}	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH){1|C<3>,3|C<4>,4|H<1>}	112.3180	0.000	1	112.3180	0.000	1	112.3180	0.000	1	112.3180	0.000	1	107.5264	9.432	31	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5,5]	O[6]	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6,6])(H)	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	O[6](C[5,6]C[5,5]C[5,6]H)(C[6,6]C[6,6]C[6]H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6,6])(H){1|O<2>,3|H<1>,4|C<4>}	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|O<2>,3|C<4>,3|H<1>}	O[6](C[5,6]C[5,5]C[5,6]H)(C[6,6]C[6,6]C[6]H){3|C<4>,3|O<2>,5|H<1>}	116.8000	0.000	1	116.8000	0.000	1	116.8000	0.000	1	107.2457	6.000	25	107.5264	9.432	31	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5,5]	O[6]	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]C[6]O[5]2)(O[5]C[5])(H)	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]CC)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H){2|H<1>,2|O<2>,4|C<4>}	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]C[6]O[5]2)(O[5]C[5])(H){1|N<3>,1|O<2>,2|H<1>,4|C<4>}	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]CC){2|C<4>,2|H<1>,2|O<2>}	106.7530	0.000	1	106.7530	0.000	1	106.4563	0.889	19	107.2457	6.000	25	107.5264	9.432	31	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5,5]	O[6]	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]N[5]O[5]H)(O[5]C[5])(H)	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]CC)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]N[5]O[5]H)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]CC){2|C<4>,2|H<1>,2|O<2>}	105.0180	0.000	1	105.0180	0.000	1	106.4563	0.889	19	107.2457	6.000	25	107.5264	9.432	31	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5,5]	O[6]	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2C)(O[5]C[5])(H)	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]CC)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2C)(O[5]C[5])(H){1|H<1>,4|C<4>}	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]CC){2|C<4>,2|H<1>,2|O<2>}	107.0300	0.997	6	106.8192	0.876	8	106.4563	0.889	19	107.2457	6.000	25	107.5264	9.432	31	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5,5]	O[6]	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2C)(O[5]C[5])(H)	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]CC)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H){2|H<1>,2|O<2>,4|C<4>}	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2C)(O[5]C[5])(H){1|H<1>,4|C<4>}	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]CC){2|C<4>,2|H<1>,2|O<2>}	106.1870	0.304	2	106.8192	0.876	8	106.4563	0.889	19	107.2457	6.000	25	107.5264	9.432	31	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5,5]	O[6]	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HO)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H){2|C<4>,2|O<2>,4|H<1>}	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|H<1>,4|C<4>}	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HO){2|C<4>,2|O<2>,4|H<1>}	106.0880	0.496	7	106.0880	0.246	7	106.4563	0.889	19	107.2457	6.000	25	107.5264	9.432	31	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5,5]	O[6]	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]CC)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H){2|H<1>,2|O<2>,4|C<4>}	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|H<1>,4|C<4>}	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]CC){2|C<4>,2|H<1>,2|O<2>}	108.2600	0.000	1	108.2600	0.000	1	106.4563	0.889	19	107.2457	6.000	25	107.5264	9.432	31	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5,5]	O[6]	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]HH)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H){1|C<4>,2|O<2>,5|H<1>}	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H){2|C<4>,3|H<1>}	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]HH){2|C<4>,2|H<1>,2|O<2>}	105.4690	0.000	1	105.4690	0.000	1	106.4563	0.889	19	107.2457	6.000	25	107.5264	9.432	31	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5,5]	O[6]	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,6]-4:P[6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]P[6])(H)	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	O[6](C[5,6]C[5,5]C[5,6]H)(P[6]O[6]CO)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]P[6])(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|H<1>,1|P<4>,3|C<4>}	O[6](C[5,6]C[5,5]C[5,6]H)(P[6]O[6]CO){2|C<4>,2|H<1>,2|O<2>}	106.8440	0.000	1	106.8440	0.000	1	108.5650	5.966	4	107.2457	6.000	25	107.5264	9.432	31	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5,5]	O[6]	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,6]-4:P[6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]P[6])(H)	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	O[6](C[5,6]C[5,5]C[5,6]H)(P[6]O[6]NO)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]P[6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>,2|O<2>}	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|H<1>,1|P<4>,3|C<4>}	O[6](C[5,6]C[5,5]C[5,6]H)(P[6]O[6]NO){2|C<4>,2|H<1>,2|O<2>}	111.4080	0.000	1	111.4080	0.000	1	108.5650	5.966	4	107.2457	6.000	25	107.5264	9.432	31	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5,5]	O[6]	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,6]-4:P[6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]P[6])(H)	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	O[6](C[5,6]C[5,5]C[5,6]H)(P[6]O[6]OO)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]P[6])(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>,3|O<2>}	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|H<1>,1|P<4>,3|C<4>}	O[6](C[5,6]C[5,5]C[5,6]H)(P[6]O[6]OO){2|C<4>,2|H<1>,2|O<2>}	108.0040	2.495	2	108.0040	6.223	2	108.5650	5.966	4	107.2457	6.000	25	107.5264	9.432	31	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5,5]	O[6]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[5,5]-4:O[6]-2:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5a,6]O[5]H)(C[5,5]C[5,5]O[5]H)(O[6]C[6])(H)	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[5a,6]HH)	C[5,6](C[5,6]C[5a,6]O[5]H)(C[5,5]C[5,5]O[5]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[5,5](C[5,6]C[5,6]O[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|C<3>,1|H<1>,3|C<4>}	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[5a,6]HH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	107.4130	0.000	1	107.4130	0.000	1	107.4130	0.000	1	107.2457	6.000	25	107.5264	9.432	31	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5,5]	O[6]	4:4:2:4:	4:4:3:2:	4:4:	C[5,5]-4:C[5,6]-4:O[6]-2:C-4:	C[5,6]-4:C[5]-4:C[5]-3:O[5]-2:	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[5,5](C[5,6]C[5,6]O[6]C)(C[5]O[5]HH)(C[5]C[5]O)(O[5]C[5])	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[5,5](C[5,6]C[5,6]O[6]C)(C[5]O[5]HH)(C[5]C[5]O)(O[5]C[5]){1|N<3>,2|H<1>,4|C<4>}	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>}	100.8690	0.000	1	100.8690	0.000	1	100.8690	0.000	1	100.8690	0.000	1	107.5264	9.432	31	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:3:2:2:	4:4:4:2:	4:2:	C[5,6]-4:C[5,6]-3:O[6]-2:O-2:	C[5,6]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:O[6]-2:	C[5,6](C[5,6]C[6]2O[5])(C[5,6]C[5]C[6])(O[6]O[6])(OH)	C[5,6](C[5,6]C[5,6]O[6]O)(C[6]C[6]HH)2(O[5]C[5])	O[6](C[5,6]C[5,6]2O)(O[6]C[6])	C[5,6](C[5,6]C[6]2O[5])(C[5,6]C[5]C[6])(O[6]O[6])(OH){1|O<1>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]O[6]O)(C[6]C[6]HH)2(O[5]C[5]){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	O[6](C[5,6]C[5,6]2O)(O[6]C[6]){1|O<2>,2|C<3>,4|C<4>}	114.2700	0.000	1	114.2700	0.000	1	114.2700	0.000	1	114.2700	0.000	1	107.3649	10.589	7	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5,6]O[6]H)(C[5,6]C[6]N[5]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,6]O[6]H)(C[5,6]C[6]N[5]H)(O[6]C[6])(H)	O[6](C[5,6]C[5,6]2H)(C[6]C[6a]O[6]H)	C[5,6](C[5,6]C[5,6]O[6]H)(C[5,6]C[6]N[5]H)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]O[6]H)(C[5,6]C[6]N[5]H)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	O[6](C[5,6]C[5,6]2H)(C[6]C[6a]O[6]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	105.4100	0.539	2	105.4100	0.290	2	105.4460	0.277	4	105.4460	0.277	4	107.3649	10.589	7	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5,6]O[6]H)(C[5,6]C[6]S[5]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,6]O[6]H)(C[5,6]C[6]S[5]H)(O[6]C[6])(H)	O[6](C[5,6]C[5,6]2H)(C[6]C[6a]O[6]H)	C[5,6](C[5,6]C[5,6]O[6]H)(C[5,6]C[6]S[5]H)(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]O[6]H)(C[5,6]C[6]S[5]H)(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O[6](C[5,6]C[5,6]2H)(C[6]C[6a]O[6]H){1|O<2>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	105.4820	0.731	2	105.4820	0.535	2	105.4460	0.277	4	105.4460	0.277	4	107.3649	10.589	7	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:4:2:	4:4:	C[5,6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]2O[5])(O[6]C[6])(H)	C[5,6](C[5,6]C[5,6]O[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(O[5]C[5])	O[6](C[5,6]C[5,6]2H)(C[6]C[6]CH)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]2O[5])(O[6]C[6])(H){2|O<1>,4|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]O[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	O[6](C[5,6]C[5,6]2H)(C[6]C[6]CH){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	107.7500	0.000	2	107.7500	0.000	2	107.7500	0.000	2	107.7500	0.000	2	107.3649	10.589	7	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	2:4:2:1:	4:4:1:1:	4:4:	O[5,6]-2:C[5]-4:O[6]-2:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:	C[5,6](O[5,6]C[5,5,6,6])(C[5]C[5,5,6]HH)(O[6]C[6])(H)	C[5](C[5,5,6]C[5,5,6,6]C[5]C[6])(C[5,6]O[5,6]O[6]H)(H)2	O[6](C[5,6]O[5,6]C[5]H)(C[6]C[5,6]HO)	C[5,6](O[5,6]C[5,5,6,6])(C[5]C[5,5,6]HH)(O[6]C[6])(H){1|H<1>,1|O<2>,4|C<4>}	C[5](C[5,5,6]C[5,5,6,6]C[5]C[6])(C[5,6]O[5,6]O[6]H)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	O[6](C[5,6]O[5,6]C[5]H)(C[6]C[5,6]HO){1|O<2>,2|C<4>,3|H<1>}	112.7250	0.000	1	112.7250	0.000	1	112.7250	0.000	1	113.7465	2.087	2	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	2:4:2:1:	4:4:1:1:	4:4:	O[5,6]-2:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,5,6])(C[5]C[5]HH)(O[6]C[6,6])(H)	C[5](C[5,6]O[5,6]O[6]H)(C[5]C[5,5,6]HH)(H)2	O[6](C[6,6]C[5,6,6]C[6]H)(C[5,6]O[5,6]C[5]H)	C[5,6](O[5,6]C[5,5,6])(C[5]C[5]HH)(O[6]C[6,6])(H){1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]O[5,6]O[6]H)(C[5]C[5,5,6]HH)(H)2{1|C<3>,2|C<4>}	O[6](C[6,6]C[5,6,6]C[6]H)(C[5,6]O[5,6]C[5]H){4|H<1>,5|C<4>}	114.7680	0.000	1	114.7680	0.000	1	114.7680	0.000	1	113.7465	2.087	2	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	2:4:2:1:	4:4:2:1:	4:4:	O[5,6]-2:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]HO)(O[6]C[6])(H)	C[5](C[5,6]O[5,6]O[6]H)(C[5]C[5,6]HO)(OC)(H)	O[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)	C[5,6](O[5,6]C[5,6])(C[5]C[5]HO)(O[6]C[6])(H){1|C<4>,1|O<2>,4|H<1>}	C[5](C[5,6]O[5,6]O[6]H)(C[5]C[5,6]HO)(OC)(H){1|H<1>,2|C<4>}	O[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH){1|H<1>,2|O<2>,3|C<4>}	114.5940	0.000	1	114.5940	0.000	1	114.5940	0.000	1	114.5940	0.000	1	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	2:4:2:2:	4:4:1:1:	4:4:	O[5,6]-2:C[5]-4:O[6]-2:C-2:	C[5,6]-4:C[5]-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])(CC)	C[5](C[5,6]O[5,6]O[6]C)(C[5]C[5,6]HH)(H)2	O[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(O[6]C[6])(CC){2|C<4>,4|H<1>}	C[5](C[5,6]O[5,6]O[6]C)(C[5]C[5,6]HH)(H)2{3|C<4>}	O[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH){2|C<4>,4|H<1>}	112.5260	0.000	1	112.5260	0.000	1	112.5260	0.000	1	112.5260	0.000	1	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	2:4:2:3:	4:3:1:1:	4:4:	O[6]-2:C[5]-4:O[6]-2:C[5]-3:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6](O[6]C[5,6,6])(C[5]C[5]HH)(O[6]C[6,6])(C[5]C[5]H)	C[5](C[5,6]C[5]O[6]2)(C[5]C[5]H)(H)2	O[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[5,6]C[5]2O[6])	C[5,6](O[6]C[5,6,6])(C[5]C[5]HH)(O[6]C[6,6])(C[5]C[5]H){3|C<4>,4|H<1>}	C[5](C[5,6]C[5]O[6]2)(C[5]C[5]H)(H)2{2|C<4>,2|H<1>}	O[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[5,6]C[5]2O[6]){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	107.5090	0.000	1	107.5090	0.000	1	107.5090	0.000	1	110.6735	20.028	2	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	2:4:2:3:	4:3:1:1:	4:4:	O[6]-2:C[5]-4:O[6]-2:C[5]-3:	C[5,6]-4:C[5]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:	C[5,6](O[6]C[5,6,6])(C[5]C[5]HH)(O[6]C[6,6])(C[5]C[5]H)	C[5](C[5,6]C[5]O[6]2)(C[5]C[5]H)(H)2	O[6](C[6,6]C[5,3x6]C[6]H)(C[5,6]C[5]2O[6])	C[5,6](O[6]C[5,6,6])(C[5]C[5]HH)(O[6]C[6,6])(C[5]C[5]H){3|C<4>,4|H<1>}	C[5](C[5,6]C[5]O[6]2)(C[5]C[5]H)(H)2{2|C<4>,2|H<1>}	O[6](C[6,6]C[5,3x6]C[6]H)(C[5,6]C[5]2O[6]){2|C<3>,4|C<4>,5|H<1>}	113.8380	0.000	1	113.8380	0.000	1	113.8380	0.000	1	110.6735	20.028	2	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	2:4:2:4:	4:2:1:1:	4:4:	O[5,6]-2:C[5]-4:O[6]-2:C-4:	C[5,6]-4:O[5]-2: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[5](C[5,6]O[5,6]O[6]C)(O[5]C[5,6])(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]O[5]HH)(O[6]C[6])(CH3){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]O[5,6]O[6]C)(O[5]C[5,6])(H)2{3|C<4>}	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>}	112.3490	0.000	1	112.3490	0.000	1	112.3490	0.000	1	112.3490	0.000	1	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	2:4:2:4:	4:4:1:1:	4:2:	O[5,6]-2:C[5]-4:O[6]-2:C-4:	C[5,6]-4:C[5]-4: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[5](C[5,6]O[5,6]O[6]C)(C[5]C[5,6]HH)(H)2	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[5](C[5,6]O[5,6]O[6]C)(C[5]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>}	O[6](C[5,6]O[5,6]C[5]C)(O[6]C[6]){2|H<1>,4|C<4>}	111.0030	0.000	1	111.0030	0.000	1	111.0030	0.000	1	111.0030	0.000	1	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	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[5]-4: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[5](C[5,6]O[5,6]O[6]C)(C[5]C[5,6,6]HH)(H)2	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[5](C[5,6]O[5,6]O[6]C)(C[5]C[5,6,6]HH)(H)2{1|O<2>,2|C<4>}	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>}	112.3810	0.000	1	112.3810	0.000	1	112.3280	0.223	3	112.3280	0.223	3	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	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[5]-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[5](C[5,6]O[5,6]O[6]C)(C[5]C[5,6]HO)(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[5](C[5,6]O[5,6]O[6]C)(C[5]C[5,6]HO)(H)2{3|C<4>}	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>}	112.7710	0.000	1	112.7710	0.000	1	112.3280	0.223	3	112.3280	0.223	3	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	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[5]-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])(CH3)	C[5](C[5,6]O[5,6]O[6]C)(C[5]C[5,6]HH)(H)2	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[5](C[5,6]O[5,6]O[6]C)(C[5]C[5,6]HH)(H)2{1|H<1>,2|C<4>}	O[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]CH){3|C<4>,3|H<1>}	111.8320	0.000	1	111.8320	0.000	1	112.3280	0.223	3	112.3280	0.223	3	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	2:4:4:2:	4:3:1:1:	4:4:	O[6]-2:C[5]-4:C[5]-4:O[6]-2:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6](O[6]C[5,6,6])(C[5]C[5]HH)2(O[6]C[6,6])	C[5](C[5,6]C[5]O[6]2)(C[5]C[5]H)(H)2	O[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[5,6]C[5]2O[6])	C[5,6](O[6]C[5,6,6])(C[5]C[5]HH)2(O[6]C[6,6]){3|C<4>,4|H<1>}	C[5](C[5,6]C[5]O[6]2)(C[5]C[5]H)(H)2{2|C<4>,3|H<1>}	O[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[5,6]C[5]2O[6]){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	111.2400	2.083	2	111.2400	4.339	2	111.2400	4.339	2	110.3710	9.089	4	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	2:4:4:2:	4:3:1:1:	4:4:	O[6]-2:C[5]-4:C[5]-4:O[6]-2:	C[5,6]-4:C[5]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:	C[5,6](O[6]C[5,6,6])(C[5]C[5]HH)2(O[6]C[6,6])	C[5](C[5,6]C[5]O[6]2)(C[5]C[5]H)(H)2	O[6](C[6,6]C[5,3x6]C[6]H)(C[5,6]C[5]2O[6])	C[5,6](O[6]C[5,6,6])(C[5]C[5]HH)2(O[6]C[6,6]){3|C<4>,4|H<1>}	C[5](C[5,6]C[5]O[6]2)(C[5]C[5]H)(H)2{2|C<4>,3|H<1>}	O[6](C[6,6]C[5,3x6]C[6]H)(C[5,6]C[5]2O[6]){2|C<3>,4|C<4>,6|H<1>}	109.5020	4.462	2	109.5020	19.908	2	109.5020	19.908	2	110.3710	9.089	4	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	3:3:4:2:	4:4:1:1:	4:4:	N[5,6]-3:C[6a]-3:C[5]-4:O[6]-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:	C[5,6](N[5,6]C[5,6,6]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(O[6]C[6])	C[5](C[5,6]N[5,6]C[6a]O[6])(C[5]C[5]CH)(H)2	O[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[5,6,6]HH)	C[5,6](N[5,6]C[5,6,6]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(O[6]C[6]){1|O<1>,2|C<3>,3|C<4>,6|H<1>}	C[5](C[5,6]N[5,6]C[6a]O[6])(C[5]C[5]CH)(H)2{1|O<1>,2|C<3>,2|C<4>}	O[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[5,6,6]HH){3|C<3>,3|C<4>,3|H<1>}	108.5710	0.341	2	108.5710	0.116	2	108.3233	0.328	4	108.4226	0.295	5	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	3:3:4:2:	4:4:1:1:	4:4:	N[5,6]-3:C[6a]-3:C[5]-4:O[6]-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(O[6]C[6])	C[5](C[5,6]N[5,6]C[6a]O[6])(C[5]C[5]CH)(H)2	O[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6]HH)	C[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(O[6]C[6]){1|O<1>,2|C<3>,2|C<4>,7|H<1>}	C[5](C[5,6]N[5,6]C[6a]O[6])(C[5]C[5]CH)(H)2{1|O<1>,2|C<3>,2|C<4>}	O[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6]HH){2|C<4>,3|C<3>,4|H<1>}	108.6330	0.000	1	108.6330	0.000	1	108.3233	0.328	4	108.4226	0.295	5	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	3:3:4:2:	4:4:1:1:	4:4:	N[5,6]-3:C[6a]-3:C[5]-4:O[6]-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:	C[5,6](N[5,6]C[6,6]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(O[6]C[6])	C[5](C[5,6]N[5,6]C[6a]O[6])(C[5]C[5]CH)(H)2	O[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6,6]HH)	C[5,6](N[5,6]C[6,6]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(O[6]C[6]){1|O<1>,2|C<3>,3|C<4>,6|H<1>}	C[5](C[5,6]N[5,6]C[6a]O[6])(C[5]C[5]CH)(H)2{1|O<1>,2|C<3>,2|C<4>}	O[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6,6]HH){3|C<3>,3|C<4>,3|H<1>}	107.5180	0.000	1	107.5180	0.000	1	108.3233	0.328	4	108.4226	0.295	5	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	3:3:4:2:	4:4:1:1:	4:4:	N[5]-3:C[6]-3:C[5]-4:O[6]-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:	C[5,6](N[5]C[6a]C[5])(C[6]N[5,6]N)(C[5]C[5]HH)(O[6]C[6])	C[5](C[5,6]C[6]N[5]O[6])(C[5]C[5]HH)(H)2	O[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)	C[5,6](N[5]C[6a]C[5])(C[6]N[5,6]N)(C[5]C[5]HH)(O[6]C[6]){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[6]N[5]O[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	O[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH){1|N<2>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	108.8200	0.000	1	108.8200	0.000	1	108.8200	0.000	1	108.4226	0.295	5	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	3:4:2:1:	4:4:1:1:	4:4:	C[5,6]-3:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5,6]C[5,6]O[6]H)(H)2	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(O[6]C[6])(H){2|H<1>,6|C<4>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5,6]C[5,6]O[6]H)(H)2{6|C<4>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH){1|C<3>,2|C<4>,4|H<1>}	112.2650	0.000	1	112.2650	0.000	1	112.2650	0.000	1	111.1287	0.694	4	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	3:4:2:1:	4:4:1:1:	4:4:	N[5,6]-3:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(O[6]C[5,6])(H)	C[5](C[5,6]N[5,6]O[6]H)(C[5]C[5]HH)(H)2	O[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]N[5,6]C[5]H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(O[6]C[5,6])(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]N[5,6]O[6]H)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>}	O[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]N[5,6]C[5]H){1|C<3>,4|H<1>,5|C<4>}	110.9545	0.330	2	110.9545	0.109	2	110.9545	0.109	2	111.1287	0.694	4	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	3:4:2:1:	4:4:1:1:	4:4:	N[5,6]-3:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(O[6]C[6])(H)	C[5](C[5,6]N[5,6]O[6]H)(C[5]C[5]HH)(H)2	O[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]CH)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(O[6]C[6])(H){1|O<1>,2|C<4>,5|H<1>}	C[5](C[5,6]N[5,6]O[6]H)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>}	O[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]CH){1|C<3>,2|C<4>,4|H<1>}	110.3410	0.000	1	110.3410	0.000	1	110.3410	0.000	1	111.1287	0.694	4	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	3:4:2:2:	4:2:1:1:	4:4:	C[6]-3:C[5]-4:O[5]-2:O[6]-2:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[6]C[5,6]O)(C[5]O[5]HH)(O[5]C[5])(O[6]C[6])	C[5](C[5,6]C[6]O[5]O[6])(O[5]C[5])(H)2	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]HH)	C[5,6](C[6]C[5,6]O)(C[5]O[5]HH)(O[5]C[5])(O[6]C[6]){1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[6]O[5]O[6])(O[5]C[5])(H)2{1|O<1>,4|C<4>}	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]HH){1|O<1>,2|C<4>,2|O<2>,3|H<1>}	108.2740	0.658	2	108.2740	0.432	2	108.2740	0.432	2	108.2740	0.432	2	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	3:4:2:2:	4:3:1:1:	4:4:	C[6]-3:C[5]-4:O[5]-2:O[6]-2:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[6]C[5,6]O)(C[5]N[5]HH)(O[5]C[5])(O[6]C[6])	C[5](C[5,6]C[6]O[5]O[6])(N[5]C[6a]C[5])(H)2	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]HH)	C[5,6](C[6]C[5,6]O)(C[5]N[5]HH)(O[5]C[5])(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5,6]C[6]O[5]O[6])(N[5]C[6a]C[5])(H)2{2|C<3>,2|C<4>,2|O<1>}	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	108.9960	0.000	1	108.9960	0.000	1	108.9960	0.000	1	108.9960	0.000	1	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	3:4:2:2:	4:4:4:1:	4:3:	C[6,6]-3:C[5]-4:O[6]-2:O[5]-2:	C[5,6]-4:C[5]-4:C-4:O-1:	C[5,6]-4:N[5,6]-3:	C[5,6](C[6,6]C[6,6]C[6])(C[5]C[5]CO)(O[6]N[5,6])(O[5]C[5])	C[5](C[5,6]C[6,6]O[5]O[6])(C[5]C[5]CC)(CC3)(O)	O[6](C[5,6]C[6,6]C[5]O[5])(N[5,6]C[5,6a]C[5,6])	C[5,6](C[6,6]C[6,6]C[6])(C[5]C[5]CO)(O[6]N[5,6])(O[5]C[5]){2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6]C[6,6]O[5]O[6])(C[5]C[5]CC)(CC3)(O){1|N<3>,2|C<3>,2|H<1>}	O[6](C[5,6]C[6,6]C[5]O[5])(N[5,6]C[5,6a]C[5,6]){1|O<1>,1|S<2>,3|C<4>,4|C<3>}	103.5540	0.000	1	103.5540	0.000	1	103.5540	0.000	1	103.5540	0.000	1	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	3:4:2:2:	4:4:4:2:	4:3:	C[6,6]-3:C[5]-4:O[6]-2:O[5]-2:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6]-4:N[5,6]-3:	C[5,6](C[6,6]C[6,6]C[6])(C[5]C[5]CO)(O[6]N[5,6])(O[5]C[5])	C[5](C[5,6]C[6,6]O[5]O[6])(C[5]C[5]CC)(CC3)(OH)	O[6](C[5,6]C[6,6]C[5]O[5])(N[5,6]C[5,6a]C[5,6])	C[5,6](C[6,6]C[6,6]C[6])(C[5]C[5]CO)(O[6]N[5,6])(O[5]C[5]){2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6]C[6,6]O[5]O[6])(C[5]C[5]CC)(CC3)(OH){1|N<3>,2|C<3>,2|H<1>}	O[6](C[5,6]C[6,6]C[5]O[5])(N[5,6]C[5,6a]C[5,6]){1|O<2>,1|S<2>,3|C<4>,4|C<3>}	108.2660	0.000	1	108.2660	0.000	1	108.2660	0.000	1	108.2660	0.000	1	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	3:4:2:4:	3:4:4:4:	4:4:	N[5,6]-3:C[5]-4:O[6]-2:C-4:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	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[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]O[6]C)(CH3)2	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[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>}	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>}	105.6640	0.000	1	105.6640	0.000	1	105.6640	0.000	1	105.6640	0.000	1	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	3:4:2:4:	4:4:1:1:	4:4:	C[5,6]-3:C[5]-4:O[6]-2:C-4:	C[5,6]-4:C[5]-4: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[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]HO)(H)2	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[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]HO)(H)2{1|H<1>,2|C<4>}	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>}	111.7390	0.000	1	111.7390	0.000	1	111.7390	0.000	1	111.7390	0.000	1	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:2:2:1:	4:4:1:1:	4:4:	C[5]-4:O[5,6]-2:O[6]-2:H-1:	C[5,3x6]-4:C[5,6]-4:H-1:H-1:	C[3x6]-4:C[5,6]-4:	C[5,6](C[5]C[5,3x6]HH)(O[5,6]C[5,4x6])(O[6]C[3x6])(H)	C[5](C[5,3x6]C[5,4x6]C[3x6]C[6])(C[5,6]O[5,6]O[6]H)(H)2	O[6](C[3x6]C[4x6]O[6,6]H)(C[5,6]O[5,6]C[5]H)	C[5,6](C[5]C[5,3x6]HH)(O[5,6]C[5,4x6])(O[6]C[3x6])(H){1|H<1>,1|O<2>,4|C<4>}	C[5](C[5,3x6]C[5,4x6]C[3x6]C[6])(C[5,6]O[5,6]O[6]H)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	O[6](C[3x6]C[4x6]O[6,6]H)(C[5,6]O[5,6]C[5]H){1|C<3>,3|C<4>,3|H<1>}	114.1688	0.257	4	114.1688	0.066	4	114.1688	0.066	4	113.9940	0.202	5	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:2:2:1:	4:4:1:1:	4:4:	C[5]-4:O[5,6]-2:O[6]-2:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5]C[5,6,6]HH)(O[5,6]C[5,3x6])(O[6]C[6])(H)	C[5](C[5,6,6]C[5,3x6]C[6]2)(C[5,6]O[5,6]O[6]H)(H)2	O[6](C[5,6]O[5,6]C[5]H)(C[6]C[6,6]HO)	C[5,6](C[5]C[5,6,6]HH)(O[5,6]C[5,3x6])(O[6]C[6])(H){1|H<1>,1|O<2>,4|C<4>}	C[5](C[5,6,6]C[5,3x6]C[6]2)(C[5,6]O[5,6]O[6]H)(H)2{1|O<2>,3|H<1>,5|C<4>}	O[6](C[5,6]O[5,6]C[5]H)(C[6]C[6,6]HO){1|O<2>,2|C<4>,3|H<1>}	113.2950	0.000	1	113.2950	0.000	1	113.2950	0.000	1	113.9940	0.202	5	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:2:3:2:	4:4:1:1:	4:4:	C[5]-4:O[6]-2:C[6]-3:O[5]-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[4,6]-4:	C[5,6](C[5]C[5]HH)(O[6]C[4,6])(C[6]C[6]H)(O[5]C[5])	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2	O[6](C[5,6]C[5]C[6]O[5])(C[4,6]C[4]2C[6])	C[5,6](C[5]C[5]HH)(O[6]C[4,6])(C[6]C[6]H)(O[5]C[5]){1|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	O[6](C[5,6]C[5]C[6]O[5])(C[4,6]C[4]2C[6]){1|C<3>,1|N<2>,3|C<4>,7|H<1>}	105.5280	0.229	2	105.5280	0.052	2	105.5280	0.052	2	105.5280	0.052	2	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:2:3:2:	4:4:4:1:	4:4:	C[5]-4:O[5]-2:C[6]-3:O[6]-2:	C[5,5]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5]C[5,5]CH)(O[5]C[5,5])(C[6]C[6]O)(O[6]C[6])	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]O[6])(CH3)(H)	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)	C[5,6](C[5]C[5,5]CH)(O[5]C[5,5])(C[6]C[6]O)(O[6]C[6]){3|C<4>,6|H<1>}	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]O[6])(CH3)(H){1|H<1>,1|O<1>,6|C<4>}	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH){1|O<1>,2|H<1>,5|C<4>}	107.5995	1.136	2	107.5995	1.291	2	107.5995	1.291	2	107.5995	1.291	2	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:3:2:2:	4:4:2:1:	4:4:	C[5]-4:C[5]-3:O[6]-2:O[6]-2:	C[5,5]-4:C[5,6]-4:C-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5]C[5,5]CH)(C[5]C[5,5]H)(O[6]C[6])2	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(CN)(H)	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)	C[5,6](C[5]C[5,5]CH)(C[5]C[5,5]H)(O[6]C[6])2{1|C<3>,2|C<4>,5|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(CN)(H){2|C<3>,2|C<4>,3|H<1>}	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH){1|C<2>,1|C<3>,2|H<1>,4|C<4>}	107.3730	4.079	2	107.3730	16.635	2	107.3730	16.635	2	107.3730	16.635	2	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:3:2:2:	4:4:3:1:	4:4:	C[5]-4:C[5]-3:O[6]-2:O[6]-2:	C[5,5]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5]C[5,5]CH)(C[5]C[5,5]H)(O[6]C[6])2	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(CHO)(H)	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)	C[5,6](C[5]C[5,5]CH)(C[5]C[5,5]H)(O[6]C[6])2{1|C<3>,2|C<4>,5|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(CHO)(H){2|C<3>,2|C<4>,3|H<1>}	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH){2|C<3>,2|H<1>,4|C<4>}	107.5675	0.148	2	107.8097	0.414	4	107.8097	0.414	4	107.7967	0.517	6	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:3:2:2:	4:4:3:1:	4:4:	C[5]-4:C[5]-3:O[6]-2:O[6]-2:	C[5,5]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5]C[5,5]CH)(C[5]C[5,5]H)(O[6]C[6])2	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(CHO)(H)	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)	C[5,6](C[5]C[5,5]CH)(C[5]C[5,5]H)(O[6]C[6])2{3|C<4>,5|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(CHO)(H){3|H<1>,4|C<4>}	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH){2|C<3>,2|H<1>,4|C<4>}	108.0520	0.993	2	107.8097	0.414	4	107.8097	0.414	4	107.7967	0.517	6	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:3:2:2:	4:4:3:1:	4:4:	C[5]-4:C[5]-3:O[6]-2:O[6]-2:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5]C[5,6]CH)(C[5]C[5,6]H)(O[6]C[6])2	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]O[6]2)(CHO)(H)	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)	C[5,6](C[5]C[5,6]CH)(C[5]C[5,6]H)(O[6]C[6])2{1|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]O[6]2)(CHO)(H){1|C<3>,3|C<4>,3|H<1>}	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH){2|C<3>,2|H<1>,4|C<4>}	107.7705	1.159	2	107.7705	1.343	2	107.7705	1.343	2	107.7967	0.517	6	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:3:2:2:	4:4:3:3:	4:4:	C[5]-4:C[5]-3:O[6]-2:O[6]-2:	C[5,5]-4:C[5,6]-4:C-3:C-3:	C[5,6]-4:C[6]-4:	C[5,6](C[5]C[5,5]CC)(C[5]C[5,5]C)(O[6]C[6])2	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(COO)2	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)	C[5,6](C[5]C[5,5]CC)(C[5]C[5,5]C)(O[6]C[6])2{3|C<4>,6|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(COO)2{1|C<3>,3|H<1>,4|C<4>}	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH){3|C<3>,5|C<4>}	106.4455	5.165	2	106.4455	26.682	2	106.4455	26.682	2	106.4455	26.682	2	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:3:2:2:	4:4:4:1:	4:4:	C[5]-4:C[6]-3:O[5]-2:O[6]-2:	C[5,6]-4:C[5]-4:S-4:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5]C[5]HS)(C[6]C[6]O)(O[5]C[5])(O[6]C[6])	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(SC[6a]OO)(H)	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)	C[5,6](C[5]C[5]HS)(C[6]C[6]O)(O[5]C[5])(O[6]C[6]){3|C<4>,6|H<1>}	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(SC[6a]OO)(H){1|H<1>,1|O<1>,3|C<4>}	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH){1|O<1>,1|S<4>,3|C<4>,3|H<1>}	108.9910	0.000	1	108.9910	0.000	1	108.9910	0.000	1	108.9910	0.000	1	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:3:2:2:	4:4:4:3:	4:4:	C[5]-4:C[5]-3:O[6]-2:O[6]-2:	C[5,5]-4:C[5,6]-4:C-4:C-3:	C[5,6]-4:C[6]-4:	C[5,6](C[5]C[5,5]CC)(C[5]C[5,5]H)(O[6]C[6])2	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(CH3)(CHO)	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)	C[5,6](C[5]C[5,5]CC)(C[5]C[5,5]H)(O[6]C[6])2{1|C<3>,2|C<4>,5|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(CH3)(CHO){2|C<3>,2|C<4>,3|H<1>}	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH){1|H<1>,2|C<3>,5|C<4>}	107.6655	3.166	2	107.6655	10.022	2	107.6655	10.022	2	107.8865	4.766	4	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:3:2:2:	4:4:4:3:	4:4:	C[5]-4:C[5]-3:O[6]-2:O[6]-2:	C[5,6]-4:C[5,6]-4:C-4:C-3:	C[5,6]-4:C[6]-4:	C[5,6](C[5]C[5,6]CC)(C[5]C[5,6]H)(O[6]C[6])2	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]O[6]2)(CH3)(CHO)	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)	C[5,6](C[5]C[5,6]CC)(C[5]C[5,6]H)(O[6]C[6])2{1|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]O[6]2)(CH3)(CHO){1|C<3>,3|C<4>,3|H<1>}	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH){1|H<1>,2|C<3>,5|C<4>}	108.1075	2.020	2	108.1075	4.081	2	108.1075	4.081	2	107.8865	4.766	4	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:3:4:2:	4:2:1:1:	4:4:	C[5,6,6]-4:C[6a]-3:C[5]-4:O[6]-2:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(C[5]O[5]HH)(O[6]C[6])	C[5](C[5,6]C[5,6,6]C[6a]O[6])(O[5]C[5,6])(H)2	O[6](C[5,6]C[5,6,6]C[6a]C[5])(C[6]C[6a]C[6]H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(C[5]O[5]HH)(O[6]C[6]){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[5](C[5,6]C[5,6,6]C[6a]O[6])(O[5]C[5,6])(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[5,6]C[5,6,6]C[6a]C[5])(C[6]C[6a]C[6]H){1|O<2>,2|C<4>,4|C<3>,5|H<1>}	113.6200	0.000	1	113.6200	0.000	1	113.6200	0.000	1	109.3755	36.032	2	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:3:4:2:	4:2:1:1:	4:4:	C[5,6]-4:C[6a]-3:C[5]-4:O[6]-2:	C[5,6]-4:S[5]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6a]C[6a]2)(C[5]S[5]HH)(O[6]C[6])	C[5](C[5,6]C[5,6]C[6a]O[6])(S[5]C[5])(H)2	O[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[5a,6]HH)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6a]C[6a]2)(C[5]S[5]HH)(O[6]C[6]){4|C<3>,6|H<1>}	C[5](C[5,6]C[5,6]C[6a]O[6])(S[5]C[5])(H)2{1|C<4>,3|C<3>,3|H<1>}	O[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[5a,6]HH){1|C<4>,1|O<2>,1|S<2>,3|C<3>,3|H<1>}	105.1310	0.000	1	105.1310	0.000	1	105.1310	0.000	1	109.3755	36.032	2	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:1:	3:4:1:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5,6a]N[5,6]H)(C[5]C[5,6a]HH)(O[6]C[6])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(H)2	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)	C[5,6](C[5,6]C[5,6a]N[5,6]H)(C[5]C[5,6a]HH)(O[6]C[6])(H){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	106.4590	0.491	4	106.4590	0.242	4	106.4590	0.242	4	108.9657	7.252	9	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:1:	3:4:1:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	N[5,5]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5,5,6]HO)(C[5]N[5,5]HH)(O[6]C[6])(H)	C[5](N[5,5]C[5,5,6]O[5])(C[5,6]C[5,6]O[6]H)(H)2	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)	C[5,6](C[5,6]C[5,5,6]HO)(C[5]N[5,5]HH)(O[6]C[6])(H){1|C<4>,1|O<2>,3|H<1>}	C[5](N[5,5]C[5,5,6]O[5])(C[5,6]C[5,6]O[6]H)(H)2{1|O<2>,2|H<1>,3|C<4>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	110.3628	1.245	4	110.3628	1.550	4	110.3628	1.550	4	108.9657	7.252	9	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:1:	3:4:1:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	N[5,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5,6,6]HO)(C[5]N[5,6]HH)(O[6]C[6])(H)	C[5](N[5,6]C[5,6,6]C[6])(C[5,6]C[5,6]O[6]H)(H)2	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)	C[5,6](C[5,6]C[5,6,6]HO)(C[5]N[5,6]HH)(O[6]C[6])(H){2|C<4>,3|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5,6]C[5,6]O[6]H)(H)2{1|O<2>,3|C<4>,4|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	113.4040	0.000	1	113.4040	0.000	1	113.4040	0.000	1	108.9657	7.252	9	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:1:	4:2:1:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]HH)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(O[5]C[5,6])(H)2	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]HH)(O[6]C[6])(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(O[5]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO){1|C<4>,3|O<2>,4|H<1>}	113.4840	0.961	4	113.4840	0.923	4	113.4840	0.923	4	113.4840	0.923	4	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:1:	4:2:3:3:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:O[5]-2:C-3:C-3:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[5]O[5]CC)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(O[5]C[5])(CC[6a]O)2	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)	C[5,6](C[5,6]C[5]O[6]H)(C[5]O[5]CC)(O[6]C[6])(H){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(O[5]C[5])(CC[6a]O)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	117.4420	0.000	1	117.4420	0.000	1	117.4420	0.000	1	117.4420	0.000	1	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:1:	4:3:1:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:	C[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]HH)(O[6]C[6,6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(H)2	O[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)	C[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]HH)(O[6]C[6,6])(H){1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(H)2{1|O<2>,2|C<4>}	O[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H){1|C<3>,2|C<4>,3|O<2>,5|H<1>}	107.1470	0.000	1	107.1470	0.000	1	107.1470	0.000	1	113.5823	9.496	7	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:1:	4:3:1:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]O)(H)2	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]O)(H)2{2|C<4>,2|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	116.6980	0.000	1	116.6980	0.000	1	116.2885	0.335	2	113.5823	9.496	7	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:1:	4:3:1:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]O)(H)2	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|O<1>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]O)(H)2{1|H<1>,3|C<4>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	115.8790	0.000	1	115.8790	0.000	1	116.2885	0.335	2	113.5823	9.496	7	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:1:	4:3:1:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[5]N[5]HH)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(N[5]C[5,6]C)(H)2	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)	C[5,6](C[5,6]C[5,6]HO)(C[5]N[5]HH)(O[6]C[6])(H){2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(N[5]C[5,6]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	113.8380	0.326	4	113.8380	0.106	4	113.8380	0.106	4	113.5823	9.496	7	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:1:	4:3:2:1:	4:3:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:N[6a]-3:O[5]-2:H-1:	C[5,6]-4:N[6]-3:	C[5,6](C[5,6]C[5,6]HO)(C[5]N[6a]O[5]H)(O[6]N[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(N[6a]C[6a]2)(O[5]C[5,6])(H)	O[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)	C[5,6](C[5,6]C[5,6]HO)(C[5]N[6a]O[5]H)(O[6]N[6])(H){2|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]O[6]H)(N[6a]C[6a]2)(O[5]C[5,6])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,2|N<3>}	O[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C){1|C<4>,1|N<3>,2|O<2>,4|H<1>}	111.7880	0.000	2	111.7880	0.000	2	111.7880	0.000	2	111.7880	0.000	2	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:1:	4:3:2:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-3:N-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]HN)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(NN)(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HN)(O[6]C[6])(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(NN)(H){1|H<1>,2|C<4>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	105.9440	0.000	1	105.9440	0.000	1	105.9440	0.000	1	106.1847	1.649	6	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:1:	4:3:2:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-3: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]HO)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(OC)(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(OC)(H){1|H<1>,2|C<4>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	105.9053	1.035	3	105.9053	1.071	3	105.9053	1.071	3	106.1847	1.649	6	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:1:	4:3:2:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[6a]O[5]H)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[6a]C[6a]2)(O[5]C[5])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[6a]O[5]H)(O[6]C[6])(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]O[6]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	108.3410	0.000	1	108.3410	0.000	1	108.3410	0.000	1	106.1847	1.649	6	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:1:	4:3:2:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:N[6a]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5]S[6]H)(C[5]N[6a]O[5]H)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(N[6a]C[6a]2)(O[5]C[5])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)	C[5,6](C[5,6]C[5]S[6]H)(C[5]N[6a]O[5]H)(O[6]C[6])(H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(N[6a]C[6a]2)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,1|S<4>,2|C<4>,3|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,1|S<4>,4|H<1>}	105.1070	0.000	1	105.1070	0.000	1	105.1070	0.000	1	106.1847	1.649	6	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:1:	4:3:3:2:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:O-2:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]O)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[6a]C[6a]2)(C[5]O[5]O)(OH)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]O)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[6a]C[6a]2)(C[5]O[5]O)(OH){2|C<3>,2|C<4>,3|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>,3|O<2>}	117.3595	0.728	2	117.3595	0.529	2	117.3595	0.529	2	117.3595	0.529	2	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:1:	4:3:3:3:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:N[5]-3:C-3:C-3:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CC)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(N[5]C[5]S)(COO)2	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CC)(O[6]C[6])(H){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(N[5]C[5]S)(COO)2{1|C<3>,2|C<4>,2|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	114.1450	0.000	1	114.1450	0.000	1	114.1450	0.000	1	114.1450	0.000	1	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:1:	4:3:4:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)(O[6]C[5,6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(CH3)(H)	O[6](C[5,6]C[5,6]C[5]O[5])(C[5,6]C[5,6]C[5]H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)(O[6]C[5,6])(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(CH3)(H){1|H<1>,2|C<4>}	O[6](C[5,6]C[5,6]C[5]O[5])(C[5,6]C[5,6]C[5]H){1|C<3>,1|O<1>,1|O<2>,3|H<1>,5|C<4>}	105.7883	0.212	3	105.7270	0.045	4	105.7270	0.045	4	108.0787	22.080	8	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:1:	4:3:4:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)(O[6]C[5,6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(CH3)(H)	O[6](C[5,6]C[5,6]C[5]O[5])(C[5,6]C[5,6]C[5]H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)(O[6]C[5,6])(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(CH3)(H){1|H<1>,2|C<4>}	O[6](C[5,6]C[5,6]C[5]O[5])(C[5,6]C[5,6]C[5]H){1|O<1>,1|O<2>,2|C<3>,3|H<1>,4|C<4>}	105.5430	0.000	1	105.7270	0.045	4	105.7270	0.045	4	108.0787	22.080	8	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:1:	4:3:4:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[6,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(O[6]C[6,6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(CH3)(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(O[6]C[6,6])(H){1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(CH3)(H){1|H<1>,2|C<4>}	O[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H){1|C<3>,2|C<4>,3|O<2>,5|H<1>}	107.4160	0.753	3	107.4160	0.567	3	107.4160	0.567	3	108.0787	22.080	8	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:1:	4:3:4:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]CH)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]O)(CH3)(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC)	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]CH)(O[6]C[6])(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]O)(CH3)(H){1|C<3>,3|C<4>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	119.4740	0.000	1	119.4740	0.000	1	119.4740	0.000	1	108.0787	22.080	8	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:1:	4:3:4:2:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-3:C-4:N-2:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CN)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(CH3)(NN)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CN)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(CH3)(NN){1|H<1>,2|C<4>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H){1|H<1>,1|N<2>,1|O<2>,2|C<4>,3|C<3>}	106.1435	1.433	2	106.1435	2.054	2	106.1435	2.054	2	106.2307	1.050	3	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:1:	4:3:4:2:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-3:C-4:O-2:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CO)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(CH3)(OH)	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CO)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(CH3)(OH){1|H<1>,2|C<4>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	106.4050	0.000	1	106.4050	0.000	1	106.4050	0.000	1	106.2307	1.050	3	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:1:	4:3:4:3:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-3:C-4:N-3:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CN)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(CH3)(NCH)	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CN)(O[6]C[6])(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(CH3)(NCH){1|H<1>,2|C<4>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	105.4890	0.000	1	105.4890	0.000	1	105.4890	0.000	1	105.4890	0.000	1	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:1:	4:4:1:1:	4:4:	C[3,5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:	C[5,6](C[3,5,6]C[5,6]C[3]O[3])(C[5]C[5]HH)(O[6]C[6,6])(H)	C[5](C[5,6]C[3,5,6]O[6]H)(C[5]C[5,6]HO)(H)2	O[6](C[5,6]C[3,5,6]C[5]H)(C[6,6]C[6,6]C[6]H)	C[5,6](C[3,5,6]C[5,6]C[3]O[3])(C[5]C[5]HH)(O[6]C[6,6])(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[3,5,6]O[6]H)(C[5]C[5,6]HO)(H)2{1|O<2>,4|C<4>}	O[6](C[5,6]C[3,5,6]C[5]H)(C[6,6]C[6,6]C[6]H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	113.9311	0.806	8	113.8698	0.603	9	113.8698	0.603	9	110.0795	11.830	33	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:1:	4:4:1:1:	4:4:	C[3,5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:	C[5,6](C[3,5,6]C[5,6]C[3]O[3])(C[5]C[5]HH)(O[6]C[6,6])(H)	C[5](C[5,6]C[3,5,6]O[6]H)(C[5]C[5,6]HO)(H)2	O[6](C[5,6]C[3,5,6]C[5]H)(C[6,6]C[6,6]C[6]H)	C[5,6](C[3,5,6]C[5,6]C[3]O[3])(C[5]C[5]HH)(O[6]C[6,6])(H){1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[3,5,6]O[6]H)(C[5]C[5,6]HO)(H)2{1|O<2>,4|C<4>}	O[6](C[5,6]C[3,5,6]C[5]H)(C[6,6]C[6,6]C[6]H){1|Br<1>,1|O<2>,3|H<1>,6|C<4>}	113.3790	0.000	1	113.8698	0.603	9	113.8698	0.603	9	110.0795	11.830	33	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:1:	4:4:1:1:	4:4:	C[5,3x6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,3x6]C[5,3x6]N[5,6]C[6])(C[5]C[5]HH)(O[6]C[5,6])(H)	C[5](C[5,6]C[5,3x6]O[6]H)(C[5]N[5,6]HH)(H)2	O[6](C[5,6]C[5,3x6]C[5]H)(C[5,6]C[5,6]C[5]O)	C[5,6](C[5,3x6]C[5,3x6]N[5,6]C[6])(C[5]C[5]HH)(O[6]C[5,6])(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,3x6]O[6]H)(C[5]N[5,6]HH)(H)2{2|C<3>,2|C<4>}	O[6](C[5,6]C[5,3x6]C[5]H)(C[5,6]C[5,6]C[5]O){1|C<3>,1|N<3>,3|C<4>,6|H<1>}	109.5270	0.000	1	109.5270	0.000	1	109.5270	0.000	1	110.0795	11.830	33	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:1:	4:4:1:1:	4:4:	C[5,5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(O[6]C[5,6])(H)	C[5](C[5,6]C[5,5,6]O[6]H)(C[5]C[5,5]HH)(H)2	O[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]N[5,6]C[5]H)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(O[6]C[5,6])(H){1|C<3>,1|N<3>,2|C<4>,2|O<2>,6|H<1>}	C[5](C[5,6]C[5,5,6]O[6]H)(C[5]C[5,5]HH)(H)2{1|C<3>,4|C<4>}	O[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]N[5,6]C[5]H){1|C<3>,4|H<1>,5|C<4>}	104.7500	0.110	2	104.7500	0.012	2	104.7500	0.012	2	110.0795	11.830	33	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:1:	4:4:1:1:	4:4:	C[5,5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,5,6]N[5,6]C[5]O[5])(C[5]C[5]HH)(O[6]C[6])(H)	C[5](C[5,6]C[5,5,6]O[6]H)(C[5]O[5]HH)(H)2	O[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)	C[5,6](C[5,5,6]N[5,6]C[5]O[5])(C[5]C[5]HH)(O[6]C[6])(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,5,6]O[6]H)(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>}	O[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	107.6160	0.000	1	107.6160	0.000	1	107.6160	0.000	1	110.0795	11.830	33	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]HH)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5,5]C[5]O[5]2)(H)2	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]HH)(O[6]C[6])(H){1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5,5]C[5]O[5]2)(H)2{1|C<3>,3|C<4>,3|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH){1|O<2>,2|C<4>,5|H<1>}	106.3630	0.000	1	106.3630	0.000	1	106.7550	0.307	2	110.0795	11.830	33	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]HH)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5,5]C[5]O[5]2)(H)2	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]HH)(O[6]C[6])(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5,6]C[5,6]O[6]H)(C[5,5]C[5]O[5]2)(H)2{1|C<3>,3|C<4>,3|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	107.1470	0.000	1	107.1470	0.000	1	106.7550	0.307	2	110.0795	11.830	33	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(O[6]C[5,6])(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5,6]C[5,6]O[6]H)(H)2	O[6](C[5,6]C[5]C[6]O[5])(C[5,6]C[5,6]C[5]H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(O[6]C[5,6])(H){1|C<3>,1|H<1>,1|O<2>,6|C<4>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5,6]C[5,6]O[6]H)(H)2{1|C<3>,1|H<1>,5|C<4>}	O[6](C[5,6]C[5]C[6]O[5])(C[5,6]C[5,6]C[5]H){1|O<2>,5|C<4>,6|H<1>}	107.3830	0.000	1	107.4405	0.007	2	107.4405	0.007	2	110.0795	11.830	33	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(O[6]C[5,6])(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5,6]C[5,6]O[6]H)(H)2	O[6](C[5,6]C[5]C[6]O[5])(C[5,6]C[5,6]C[5]H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(O[6]C[5,6])(H){1|H<1>,1|O<2>,2|C<3>,5|C<4>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5,6]C[5,6]O[6]H)(H)2{1|C<3>,1|H<1>,5|C<4>}	O[6](C[5,6]C[5]C[6]O[5])(C[5,6]C[5,6]C[5]H){2|C<3>,3|C<4>,6|H<1>}	107.4980	0.000	1	107.4405	0.007	2	107.4405	0.007	2	110.0795	11.830	33	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]O[6]H)(H)2	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(O[6]C[6])(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]O[6]H)(H)2{2|H<1>,6|C<4>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H){2|C<3>,3|C<4>,3|H<1>}	107.6773	0.771	6	107.6773	0.595	6	107.6773	0.595	6	110.0795	11.830	33	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(O[6]C[5,6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]CC)(H)2	O[6](C[5,6]C[5]C[6]O[5])(C[5,6]C[5,6]C[5]H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(O[6]C[5,6])(H){1|H<1>,1|O<2>,7|C<4>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]CC)(H)2{1|H<1>,4|C<4>}	O[6](C[5,6]C[5]C[6]O[5])(C[5,6]C[5,6]C[5]H){1|C<3>,4|C<4>,7|H<1>}	111.5320	0.000	2	111.5320	0.000	2	111.5320	0.000	2	110.0795	11.830	33	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5,6]HO)(H)2	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(O[6]C[6])(H){1|C<4>,2|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5,6]HO)(H)2{1|H<1>,2|C<4>,2|O<2>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH){1|O<2>,2|C<4>,5|H<1>}	111.7140	0.000	1	111.7140	0.000	1	108.5728	3.360	6	110.0795	11.830	33	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HO)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HO){2|C<3>,2|C<4>,3|H<1>}	108.6420	0.520	2	108.6420	0.271	2	108.5728	3.360	6	110.0795	11.830	33	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(H)2	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H){3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(H)2{1|H<1>,2|C<4>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH){2|C<4>,2|O<2>,4|H<1>}	107.5670	0.000	1	107.5670	0.000	1	108.5728	3.360	6	110.0795	11.830	33	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(H)2	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	108.6720	0.000	1	108.6720	0.000	1	108.5728	3.360	6	110.0795	11.830	33	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]HH)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]O[5]H)(H)2	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)	C[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]HH)(O[6]C[6])(H){1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]O[5]H)(H)2{1|H<1>,2|O<2>,3|C<4>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO){2|C<4>,2|O<2>,4|H<1>}	106.2000	0.000	1	106.2000	0.000	1	108.5728	3.360	6	110.0795	11.830	33	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:H-1:O-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[6a]N[5]H)(H)(O)	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(O[6]C[6])(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[6a]N[5]H)(H)(O){1|H<1>,2|C<3>,3|C<4>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	115.7730	0.000	1	115.7730	0.000	1	115.7730	0.000	1	110.0795	11.830	33	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:N[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]N[5,6]C[5]H)(C[5]N[5]HH)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(N[5]C[5]HH)(H)2	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)	C[5,6](C[5,6]N[5,6]C[5]H)(C[5]N[5]HH)(O[6]C[6])(H){1|C<3>,1|N<2>,6|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(N[5]C[5]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH){1|C<3>,1|C<4>,1|N<3>,1|N<4>,3|H<1>}	116.4230	0.000	1	116.4230	0.000	1	116.4230	0.000	1	110.0795	11.830	33	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:1:	4:4:2:1:	4:4:	C[3,5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:	C[5,6](C[3,5,6]C[5,6]C[3]O[3])(C[5]C[5]HO)(O[6]C[6,6])(H)	C[5](C[5,6]C[3,5,6]O[6]H)(C[5]C[5,6]HO)(OH)(H)	O[6](C[5,6]C[3,5,6]C[5]H)(C[6,6]C[6,6]C[6]H)	C[5,6](C[3,5,6]C[5,6]C[3]O[3])(C[5]C[5]HO)(O[6]C[6,6])(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[3,5,6]O[6]H)(C[5]C[5,6]HO)(OH)(H){1|O<2>,4|C<4>}	O[6](C[5,6]C[3,5,6]C[5]H)(C[6,6]C[6,6]C[6]H){1|C<3>,2|H<1>,2|O<2>,5|C<4>}	113.3600	0.000	1	113.3600	0.000	1	113.3600	0.000	1	111.3577	24.563	28	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:1:	4:4:2:1:	4:4:	C[5,5,6,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:C-2: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]C[5])(C[5]C[5]CH)(O[6]C[6])(H)	C[5](C[5,6]C[5,5,6,6]O[6]H)(C[5]C[5]HH)(CN)(H)	O[6](C[5,6]C[5,5,6,6]C[5]H)(C[6]O[6]CC)	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[5])(C[5]C[5]CH)(O[6]C[6])(H){1|O<2>,5|C<4>,6|H<1>}	C[5](C[5,6]C[5,5,6,6]O[6]H)(C[5]C[5]HH)(CN)(H){2|H<1>,3|C<4>}	O[6](C[5,6]C[5,5,6,6]C[5]H)(C[6]O[6]CC){1|C<2>,1|H<1>,4|C<4>}	105.1930	0.000	1	105.1930	0.000	1	105.1930	0.000	1	111.3577	24.563	28	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,5]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5,5,6]HO)(C[5]C[5,5]HO)(O[6]C[6])(H)	C[5](C[5,5]C[5,5,6]N[5]H)(C[5,6]C[5,6]O[6]H)(OH)(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)	C[5,6](C[5,6]C[5,5,6]HO)(C[5]C[5,5]HO)(O[6]C[6])(H){1|C<4>,1|N<3>,4|H<1>}	C[5](C[5,5]C[5,5,6]N[5]H)(C[5,6]C[5,6]O[6]H)(OH)(H){2|H<1>,2|O<2>,3|C<4>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH){2|C<4>,3|H<1>,3|O<2>}	110.0200	0.000	1	110.0200	0.000	1	110.0200	0.000	1	111.3577	24.563	28	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:N-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]HN)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(NN)(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HN)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(NN)(H){1|H<1>,2|C<4>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H){1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	105.9830	0.000	1	105.9830	0.000	1	105.9830	0.000	1	111.3577	24.563	28	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]C[6,6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(OH)(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]C[6,6])(H){1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(OH)(H){1|H<1>,2|C<4>}	O[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H){3|C<4>,3|O<2>,5|H<1>}	118.0600	0.000	1	118.0600	0.000	1	118.0600	0.000	1	111.3577	24.563	28	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C[6]H)(OH)(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(O[6]C[6])(H){1|O<2>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C[6]H)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC){1|O<2>,2|H<1>,3|C<4>}	107.7130	0.928	5	107.7130	0.861	5	110.0941	25.314	17	111.3577	24.563	28	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C[6]H)(OSi)(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(O[6]C[6])(H){1|O<2>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C[6]H)(OSi)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC){1|O<2>,2|H<1>,3|C<4>}	106.7000	0.000	1	106.1403	0.522	3	110.0941	25.314	17	111.3577	24.563	28	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C[6]H)(OSi)(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(O[6]C[6])(H){1|O<2>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C[6]H)(OSi)(H){1|O<2>,3|H<1>,4|C<4>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC){1|O<2>,2|H<1>,3|C<4>}	105.8605	0.757	2	106.1403	0.522	3	110.0941	25.314	17	111.3577	24.563	28	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]CH)(OH)(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(O[6]C[6])(H){1|O<2>,3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]CH)(OH)(H){1|H<1>,3|C<4>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	116.3016	0.457	5	116.3016	0.209	5	110.0941	25.314	17	111.3577	24.563	28	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]HH)(OH)(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]HH)(OH)(H){1|C<3>,1|H<1>,2|C<4>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	103.4830	0.000	1	103.4830	0.000	1	110.0941	25.314	17	111.3577	24.563	28	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-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]HO)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(OH)(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]C[6])(H){1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(OH)(H){1|H<1>,2|C<4>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC){2|C<4>,2|H<1>,2|O<2>}	105.3540	0.000	1	105.3540	0.000	1	110.0941	25.314	17	111.3577	24.563	28	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-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]HO)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]HH)(OH)(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]C[6])(H){1|C<3>,1|O<2>,5|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]HH)(OH)(H){1|H<1>,2|C<4>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	106.7820	0.000	1	106.7820	0.000	1	110.0941	25.314	17	111.3577	24.563	28	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-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]HO)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]HS)(OC)(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]C[6])(H){1|C<3>,1|O<2>,1|S<2>,4|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]HS)(OC)(H){1|H<1>,2|C<4>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	117.4870	0.000	1	117.4870	0.000	1	110.0941	25.314	17	111.3577	24.563	28	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:P[6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]P[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5a]O[5]H)(OH)(H)	O[6](C[5,6]C[5,6]C[5]H)(P[6]O[6]OO)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]P[6])(H){1|N<3>,1|O<2>,2|O<1>,3|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5a]O[5]H)(OH)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	O[6](C[5,6]C[5,6]C[5]H)(P[6]O[6]OO){2|C<4>,2|H<1>,2|O<2>}	116.0513	1.152	3	116.0513	1.327	3	115.7360	0.852	5	111.3577	24.563	28	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:P[6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]P[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5a]O[5]H)(OSi)(H)	O[6](C[5,6]C[5,6]C[5]H)(P[6]O[6]NO)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]P[6])(H){1|O<1>,1|O<2>,2|N<3>,3|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5a]O[5]H)(OSi)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	O[6](C[5,6]C[5,6]C[5]H)(P[6]O[6]NO){2|C<4>,2|H<1>,2|O<2>}	115.2630	0.098	2	115.2630	0.010	2	115.7360	0.852	5	111.3577	24.563	28	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:Si[6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]Si[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]HS)(OC)(H)	O[6](C[5,6]C[5,6]C[5]H)(Si[6]O[6]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]Si[6])(H){1|O<2>,1|S<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]HS)(OC)(H){1|Si<4>,1|C<4>,1|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(Si[6]O[6]CC){2|C<4>,2|H<1>,2|O<2>}	115.1210	0.000	1	115.1210	0.000	1	115.1210	0.000	1	111.3577	24.563	28	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:1:	4:4:3:2:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:C-3:O-2:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[5]CO)(O[6]C[5,6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(COO)(OH)	O[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[5]CO)(O[6]C[5,6])(H){1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(COO)(OH){1|C<4>,1|H<1>,1|O<2>}	O[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H){1|C<3>,2|H<1>,3|C<4>,3|O<2>}	109.3125	0.053	2	109.3125	0.003	2	109.3125	0.003	2	109.3125	0.003	2	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:1:	4:4:4:2:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C[6]H)(CCHH)(OH)	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(O[6]C[6])(H){1|O<2>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C[6]H)(CCHH)(OH){1|O<2>,3|H<1>,4|C<4>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC){1|H<1>,1|O<2>,4|C<4>}	107.2140	0.861	2	107.2140	0.742	2	107.6803	1.023	3	107.6803	1.023	3	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:1:	4:4:4:2:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[6a]C[5]H)(CCHH)(OH)	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[6a]C[5]H)(CCHH)(OH){2|C<3>,2|C<4>,3|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC){1|H<1>,1|O<2>,4|C<4>}	108.6130	0.000	1	108.6130	0.000	1	107.6803	1.023	3	107.6803	1.023	3	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:1:	4:4:4:4:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CC)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(CH3)2	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CC)(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(CH3)2{2|C<4>,3|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H){1|H<1>,2|C<3>,5|C<4>}	115.5540	0.000	1	115.5540	0.000	1	115.5540	0.000	1	114.9377	0.286	3	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:1:	4:4:4:4:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]C[6]C)(O[6]C[6])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5,6]CH)(C[6]C[6]2H)(CH3)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]C[6]C)(O[6]C[6])(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5,6]CH)(C[6]C[6]2H)(CH3){2|C<3>,4|C<4>,4|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO){1|O<2>,3|H<1>,4|C<4>}	114.6295	0.046	2	114.6295	0.002	2	114.6295	0.002	2	114.9377	0.286	3	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:2:	4:2:1:1:	4:4:	C[5]-4:C[6]-4:O[5]-2:O[6]-2:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5]O[5]HH)(C[6]C[6]OO)(O[5]C[5])(O[6]C[6])	C[5](C[5,6]C[6]O[5]O[6])(O[5]C[5])(H)2	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)	C[5,6](C[5]O[5]HH)(C[6]C[6]OO)(O[5]C[5])(O[6]C[6]){1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[6]O[5]O[6])(O[5]C[5])(H)2{2|O<2>,4|C<4>}	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH){2|C<4>,3|H<1>,4|O<2>}	105.5390	0.000	1	105.5390	0.000	1	105.5390	0.000	1	105.5390	0.000	1	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:2:	4:3:1:1:	4:4:	C[5,6,6]-4:C[5]-4:O[6]-2:O-2:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5]N[5]HH)(O[6]C[6])(OH)	C[5](C[5,6]C[5,6,6]O[6]O)(N[5]C[5,6]C)(H)2	O[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6,6a]HH)	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5]N[5]HH)(O[6]C[6])(OH){2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6,6]O[6]O)(N[5]C[5,6]C)(H)2{1|H<1>,2|C<3>,2|C<4>}	O[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6,6a]HH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	106.0165	0.111	2	106.0165	0.012	2	106.0165	0.012	2	106.0165	0.012	2	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:2:	4:3:2:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:O-2:	C[5,6]-4:C[5]-3:C-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(O[6]C[6])(OC)	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5]H)(CN)(H)	O[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(O[6]C[6])(OC){1|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5]H)(CN)(H){2|C<4>,2|H<1>}	O[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH){1|C<2>,1|C<4>,2|C<3>,4|H<1>}	104.6030	0.000	1	104.6030	0.000	1	104.6030	0.000	1	104.6030	0.000	1	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:2:	4:3:3:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:O-2:	C[5,6]-4:C[5]-3:C-3:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(O[6]C[6])(OC)	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5]H)(CC[6a]O)(H)	O[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(O[6]C[6])(OC){1|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5]H)(CC[6a]O)(H){2|C<4>,2|H<1>}	O[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH){1|C<4>,3|C<3>,4|H<1>}	103.7855	1.071	2	103.7855	1.148	2	103.7855	1.148	2	103.4537	1.437	4	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:2:	4:3:3:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:O-2:	C[5,6]-4:C[5]-3:N-3:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HN)(O[6]C[6])(OC)	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5]H)(NOO)(H)	O[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HN)(O[6]C[6])(OC){1|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5]H)(NOO)(H){2|C<4>,2|H<1>}	O[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	101.9550	0.000	1	101.9550	0.000	1	101.9550	0.000	1	103.4537	1.437	4	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:2:	4:3:3:1:	4:4:	C[5]-4:C[6]-4:O[5]-2:O[6]-2:	C[5,6]-4:N[5]-3:N-3:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5]N[5]HN)(C[6]C[6]HH)(O[5]C[5])(O[6]C[6])	C[5](C[5,6]C[6]O[5]O[6])(N[5]C[5]C)(NHS)(H)	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)	C[5,6](C[5]N[5]HN)(C[6]C[6]HH)(O[5]C[5])(O[6]C[6]){1|O<1>,2|C<4>,4|H<1>}	C[5](C[5,6]C[6]O[5]O[6])(N[5]C[5]C)(NHS)(H){1|O<1>,2|C<4>,2|H<1>}	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH){1|C<3>,1|C<4>,2|N<3>,5|H<1>}	104.2890	0.000	1	104.2890	0.000	1	104.2890	0.000	1	103.4537	1.437	4	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:2:	4:3:4:1:	4:2:	C[5,5,6]-4:C[5]-4:O[6]-2:O-2:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5,6]-4:O[6]-2:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]N[5]CH)(O[6]O[6])(OH)	C[5](C[5,6]C[5,5,6]O[6]O)(N[5]C[5]C)(CCCH)(H)	O[6](C[5,6]C[5,5,6]C[5]O)(O[6]C[6])	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]N[5]CH)(O[6]O[6])(OH){1|H<1>,2|O<1>,4|C<4>}	C[5](C[5,6]C[5,5,6]O[6]O)(N[5]C[5]C)(CCCH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	O[6](C[5,6]C[5,5,6]C[5]O)(O[6]C[6]){1|H<1>,1|N<3>,2|C<3>,4|C<4>}	102.3770	0.000	1	102.3770	0.000	1	102.3770	0.000	1	102.3770	0.000	1	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:2:	4:3:4:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:O-2:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(O[6]C[6])(OC)	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5]H)(CHHO)(H)	O[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(O[6]C[6])(OC){1|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5]H)(CHHO)(H){2|C<4>,2|H<1>}	O[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	103.7600	0.000	1	103.7600	0.000	1	103.7600	0.000	1	107.1295	22.707	2	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:2:	4:3:4:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:O-2:	C[5,6]-4:C[5]-3:S-4:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HS)(O[6]C[6])(OC)	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5]H)(SC[6a]OO)(H)	O[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HS)(O[6]C[6])(OC){1|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5]H)(SC[6a]OO)(H){2|C<4>,2|H<1>}	O[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	110.4990	0.000	1	110.4990	0.000	1	110.4990	0.000	1	107.1295	22.707	2	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:2:	4:3:4:3:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:O-2:	C[5,6]-4:C[5]-3:C-4:C-3:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CC)(O[6]C[6])(OC)	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5]H)(CH3)(COO)	O[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CC)(O[6]C[6])(OC){1|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5]H)(CH3)(COO){2|C<4>,2|H<1>}	O[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH){2|C<4>,3|C<3>,3|H<1>}	105.2860	0.000	1	105.2860	0.000	1	105.2860	0.000	1	105.2860	0.000	1	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:2:	4:4:1:1:	4:4:	C[5,6,6]-4:C[5]-4:O[6]-2:O-2:	C[5,6]-4:N[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5]N[5]HH)(O[6]C[6])(OH)	C[5](C[5,6]C[5,6,6]O[6]O)(N[5]C[5,6]CH)(H)2	O[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6,6a]HH)	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5]N[5]HH)(O[6]C[6])(OH){2|C<4>,3|C<3>,5|H<1>}	C[5](C[5,6]C[5,6,6]O[6]O)(N[5]C[5,6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	O[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6,6a]HH){1|C<4>,1|N<4>,2|H<1>,3|C<3>}	105.8650	0.000	1	105.8650	0.000	1	105.8650	0.000	1	109.0737	9.723	44	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:2:	4:4:1:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:O-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,3x6]HH)(C[5]C[5,6]HH)(O[6]C[5,6])(OH)	C[5](C[5,6]C[5,3x6]C[6]H)(C[5,6]C[5,6]O[6]O)(H)2	O[6](C[5,6]C[5,3x6]C[5]H)(C[5,6]C[5,6]C[5]O)	C[5,6](C[5,6]C[5,3x6]HH)(C[5]C[5,6]HH)(O[6]C[5,6])(OH){1|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,3x6]C[6]H)(C[5,6]C[5,6]O[6]O)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	O[6](C[5,6]C[5,3x6]C[5]H)(C[5,6]C[5,6]C[5]O){1|C<3>,1|N<3>,3|C<4>,6|H<1>}	112.5180	0.000	1	112.5180	0.000	1	112.5180	0.000	1	109.0737	9.723	44	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:2:	4:4:1:1:	4:4:	C[5]-4:C[5]-4:O[6]-2:O[6]-2:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5]C[5,5]HH)2(O[6]C[6])2	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(H)2	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)	C[5,6](C[5]C[5,5]HH)2(O[6]C[6])2{1|C<3>,2|C<4>,6|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(H)2{1|C<3>,3|C<4>,4|H<1>}	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH){4|H<1>,5|C<4>}	113.2200	1.332	4	110.5153	9.978	16	110.5153	9.978	16	109.0737	9.723	44	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:2:	4:4:1:1:	4:4:	C[5]-4:C[5]-4:O[6]-2:O[6]-2:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5]C[5,5]HH)2(O[6]C[6])2	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(H)2	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)	C[5,6](C[5]C[5,5]HH)2(O[6]C[6])2{1|C<3>,2|C<4>,6|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(H)2{2|C<3>,3|C<4>,4|H<1>}	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH){4|H<1>,5|C<4>}	107.7730	2.828	4	110.5153	9.978	16	110.5153	9.978	16	109.0737	9.723	44	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:2:	4:4:1:1:	4:4:	C[5]-4:C[5]-4:O[6]-2:O[6]-2:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5]C[5,5]HH)2(O[6]C[6])2	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(H)2	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)	C[5,6](C[5]C[5,5]HH)2(O[6]C[6])2{3|C<4>,6|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(H)2{1|C<2>,4|C<4>,4|H<1>}	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH){4|H<1>,5|C<4>}	108.1030	1.836	2	110.5153	9.978	16	110.5153	9.978	16	109.0737	9.723	44	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:2:	4:4:1:1:	4:4:	C[5]-4:C[5]-4:O[6]-2:O[6]-2:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5]C[5,5]HH)2(O[6]C[6])2	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(H)2	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)	C[5,6](C[5]C[5,5]HH)2(O[6]C[6])2{3|C<4>,6|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(H)2{4|C<4>,5|H<1>}	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH){4|H<1>,5|C<4>}	111.3445	2.894	6	110.5153	9.978	16	110.5153	9.978	16	109.0737	9.723	44	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:2:	4:4:1:1:	4:4:	C[5]-4:C[5]-4:O[6]-2:O[6]-2:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5]C[5,5]HH)2(O[6]C[6])2	C[5](C[5,6]C[5]O[6]2)(C[5,5]C[5,5]2H)(H)2	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)	C[5,6](C[5]C[5,5]HH)2(O[6]C[6])2{3|C<4>,6|H<1>}	C[5](C[5,6]C[5]O[6]2)(C[5,5]C[5,5]2H)(H)2{4|H<1>,5|C<4>}	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH){4|H<1>,5|C<4>}	110.6132	3.339	4	110.6132	11.151	4	110.6132	11.151	4	109.0737	9.723	44	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:2:	4:4:1:1:	4:4:	C[5]-4:C[5]-4:O[6]-2:O[6]-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5]C[5]CC)(C[5]C[5]HH)(O[6]C[6])2	C[5](C[5,6]C[5]O[6]2)(C[5]C[5]HH)(H)2	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)	C[5,6](C[5]C[5]CC)(C[5]C[5]HH)(O[6]C[6])2{2|C<4>,7|H<1>}	C[5](C[5,6]C[5]O[6]2)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH){1|C<3>,2|H<1>,6|C<4>}	112.2875	1.514	2	112.2875	2.292	2	110.6772	7.432	6	109.0737	9.723	44	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:2:	4:4:1:1:	4:4:	C[5]-4:C[5]-4:O[6]-2:O[6]-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5]C[5]HH)2(O[6]C[6])2	C[5](C[5,6]C[5]O[6]2)(C[5]C[5]HH)(H)2	O[6](C[5,6]C[5]2O[6])(C[6]C[6,6]HH)	C[5,6](C[5]C[5]HH)2(O[6]C[6])2{1|C<4>,8|H<1>}	C[5](C[5,6]C[5]O[6]2)(C[5]C[5]HH)(H)2{2|C<4>,4|H<1>}	O[6](C[5,6]C[5]2O[6])(C[6]C[6,6]HH){4|H<1>,5|C<4>}	109.8720	3.005	4	109.8720	9.029	4	110.6772	7.432	6	109.0737	9.723	44	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:2:	4:4:1:1:	4:4:	C[5]-4:C[6]-4:O[5]-2:O[6]-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(O[5]C[5])(O[6]C[6])	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(O[5]C[5])(O[6]C[6]){3|C<4>,6|H<1>}	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2{3|C<4>,3|H<1>}	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH){1|O<2>,4|C<4>,4|H<1>}	104.2750	0.000	1	104.2750	0.000	1	106.1460	2.191	5	109.0737	9.723	44	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:2:	4:4:1:1:	4:4:	C[5]-4:C[6]-4:O[5]-2:O[6]-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5]C[5]HH)(C[6]C[6]CO)(O[5]C[5,6])(O[6]C[6])	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5,6]HH)(H)2	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)	C[5,6](C[5]C[5]HH)(C[6]C[6]CO)(O[5]C[5,6])(O[6]C[6]){1|O<2>,3|C<4>,5|H<1>}	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5,6]HH)(H)2{2|O<2>,4|C<4>}	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH){1|O<2>,4|C<4>,4|H<1>}	105.2680	0.000	1	105.2680	0.000	1	106.1460	2.191	5	109.0737	9.723	44	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:2:	4:4:1:1:	4:4:	C[5]-4:C[6]-4:O[5]-2:O[6]-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(O[5]C[5,6])(O[6]C[6])	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5,6]HH)(H)2	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(O[5]C[5,6])(O[6]C[6]){1|O<2>,3|C<4>,5|H<1>}	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5,6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH){3|C<4>,6|H<1>}	108.0690	0.000	1	108.0690	0.000	1	106.1460	2.191	5	109.0737	9.723	44	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:2:	4:4:1:1:	4:4:	C[5]-4:C[6]-4:O[5]-2:O[6]-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(O[5]C[5])(O[6]C[6])	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(O[5]C[5])(O[6]C[6]){3|C<4>,6|H<1>}	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2{3|C<4>,3|H<1>}	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH){3|C<4>,6|H<1>}	106.0820	0.000	1	106.0820	0.000	1	106.1460	2.191	5	109.0737	9.723	44	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:2:	4:4:1:1:	4:4:	C[5]-4:C[6]-4:O[5]-2:O[6]-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(O[5]C[5])(O[6]C[6])	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6a]C[6]H)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(O[5]C[5])(O[6]C[6]){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,2|H<1>}	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6a]C[6]H){2|C<4>,3|C<3>,6|H<1>}	107.0360	0.000	1	107.0360	0.000	1	106.1460	2.191	5	109.0737	9.723	44	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:2:	4:4:1:1:	4:4:	C[5]-4:C[6]-4:O[6]-2:O[5]-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(O[6]C[5,6])(O[5]C[5])	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]CH)(H)2	O[6](C[5,6]C[5]C[6]O[5])(C[5,6]C[5,6]C[5]H)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(O[6]C[5,6])(O[5]C[5]){1|O<1>,3|H<1>,4|C<4>}	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]CH)(H)2{1|O<1>,2|C<4>,2|H<1>}	O[6](C[5,6]C[5]C[6]O[5])(C[5,6]C[5,6]C[5]H){1|C<3>,4|C<4>,7|H<1>}	108.1390	0.000	2	108.1390	0.000	2	108.1390	0.000	2	109.0737	9.723	44	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:2:	4:4:1:1:	4:4:	C[5]-4:C[6]-4:O[6]-2:O[5]-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(O[6]C[6,6])(O[5]C[5])	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HO)(H)2	O[6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2O[6])	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(O[6]C[6,6])(O[5]C[5]){2|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HO)(H)2{2|H<1>,4|C<4>}	O[6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2O[6]){6|C<4>,7|H<1>}	104.7710	0.000	1	104.7710	0.000	1	106.1322	1.001	5	109.0737	9.723	44	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:2:	4:4:1:1:	4:4:	C[5]-4:C[6]-4:O[6]-2:O[5]-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(O[6]C[6,6])(O[5]C[5])	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2	O[6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6,6]C[6]C)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(O[6]C[6,6])(O[5]C[5]){1|O<1>,3|C<4>,4|H<1>}	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,2|H<1>}	O[6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6,6]C[6]C){1|C<3>,4|C<4>,7|H<1>}	107.1700	0.000	1	107.1700	0.000	1	106.1322	1.001	5	109.0737	9.723	44	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:2:	4:4:1:1:	4:4:	C[5]-4:C[6]-4:O[6]-2:O[5]-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(O[6]C[6,6])(O[5]C[5])	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2	O[6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2O[6])	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(O[6]C[6,6])(O[5]C[5]){1|O<2>,2|C<4>,6|H<1>}	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2{2|C<4>,4|H<1>}	O[6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2O[6]){5|C<4>,8|H<1>}	105.5690	0.000	1	105.5690	0.000	1	106.1322	1.001	5	109.0737	9.723	44	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:2:	4:4:1:1:	4:4:	C[5]-4:C[6]-4:O[6]-2:O[5]-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:	C[5,6](C[5]C[5]HH)(C[6]C[6]HO)(O[6]C[6,6])(O[5]C[5])	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2	O[6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2O[6])	C[5,6](C[5]C[5]HH)(C[6]C[6]HO)(O[6]C[6,6])(O[5]C[5]){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	O[6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2O[6]){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	106.5755	0.602	2	106.5755	0.362	2	106.1322	1.001	5	109.0737	9.723	44	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:2:	4:4:1:1:	4:4:	C[6,6]-4:C[5]-4:O[5]-2:O[6]-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(O[5]C[5])(O[6]C[6])	C[5](C[5,6]C[6,6]O[5]O[6])(C[5]C[5]HH)(H)2	O[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]HH)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(O[5]C[5])(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,7|H<1>}	C[5](C[5,6]C[6,6]O[5]O[6])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	O[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]HH){1|C<3>,3|C<4>,5|H<1>}	107.0210	0.061	2	107.0210	0.004	2	107.0210	0.004	2	109.0737	9.723	44	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[5]-4:O[5]-2:O[6]-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[6]C[6]FeH)(C[5]C[5]HH)(O[5]C[5])(O[6]C[6])	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)	C[5,6](C[6]C[6]FeH)(C[5]C[5]HH)(O[5]C[5])(O[6]C[6]){2|C<4>,6|H<1>}	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(H)2{1|Fe<7>,2|C<4>,3|H<1>}	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH){1|Fe<7>,3|C<4>,5|H<1>}	106.3760	0.000	1	106.3760	0.000	1	107.1945	1.340	2	109.0737	9.723	44	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:2:	4:4:1:1:	4:4:	C[6]-4:C[5]-4:O[5]-2:O[6]-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[6]N[5a,6]HH)(C[5]C[5]HH)(O[5]C[5])(O[6]C[6])	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HO)(H)2	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[5a,6]HH)	C[5,6](C[6]N[5a,6]HH)(C[5]C[5]HH)(O[5]C[5])(O[6]C[6]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HO)(H)2{1|N<3>,2|C<4>,3|H<1>}	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[5a,6]HH){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	108.0130	0.000	1	108.0130	0.000	1	107.1945	1.340	2	109.0737	9.723	44	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:2:	4:4:2:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:O-2:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]HO)(O[6]C[6,6])(OH)	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5,6,6]HO)(OC)(H)	O[6](C[5,6]C[5,6]C[5]O)(C[6,6]C[3x6]C[6]H)	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]HO)(O[6]C[6,6])(OH){1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5,6,6]HO)(OC)(H){2|H<1>,3|C<4>}	O[6](C[5,6]C[5,6]C[5]O)(C[6,6]C[3x6]C[6]H){1|O<2>,4|C<4>,6|H<1>}	113.9650	0.000	1	113.9650	0.000	1	113.9650	0.000	1	108.2727	10.998	6	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:2:	4:4:2:1:	4:4:	C[5]-4:C[6]-4:N[5]-2:O[6]-2:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5]C[5]HO)(C[6]C[6]HH)(N[5]C[5])(O[6]C[6])	C[5](C[5,6]C[6]N[5]O[6])(C[5]C[5]HH)(OC)(H)	O[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)	C[5,6](C[5]C[5]HO)(C[6]C[6]HH)(N[5]C[5])(O[6]C[6]){1|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[6]N[5]O[6])(C[5]C[5]HH)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	O[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	106.8650	0.000	1	106.8650	0.000	1	106.8650	0.000	1	108.2727	10.998	6	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:2:	4:4:2:1:	4:4:	C[5]-4:C[6]-4:O[5]-2:O[6]-2:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5]C[5]HO)(C[6]C[6]HH)(O[5]C[5])(O[6]C[6])	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HO)(OC)(H)	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)	C[5,6](C[5]C[5]HO)(C[6]C[6]HH)(O[5]C[5])(O[6]C[6]){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HO)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	106.7320	1.146	2	106.7320	1.312	2	106.7320	1.312	2	108.2727	10.998	6	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:2:	4:4:2:1:	4:4:	C[5]-4:C[6]-4:O[6]-2:O[5]-2:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5]C[5]HO)(C[6]C[6]HH)(O[6]C[5,6])(O[5]C[5])	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]CO)(OH)(H)	O[6](C[5,6]C[5]C[6]O[5])(C[5,6]C[5,6]C[5]H)	C[5,6](C[5]C[5]HO)(C[6]C[6]HH)(O[6]C[5,6])(O[5]C[5]){1|O<2>,4|C<4>,4|H<1>}	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]CO)(OH)(H){2|C<4>,4|H<1>}	O[6](C[5,6]C[5]C[6]O[5])(C[5,6]C[5,6]C[5]H){1|O<2>,5|C<4>,6|H<1>}	110.3000	0.000	1	110.3000	0.000	1	110.3000	0.000	1	108.2727	10.998	6	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:2:	4:4:2:1:	4:4:	C[6]-4:C[5]-4:N[5]-2:O[6]-2:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[6]C[5a]C[6]H)(C[5]C[5]HO)(N[5]C[5])(O[6]C[6])	C[5](C[5,6]C[6]N[5]O[6])(C[5]C[5]HH)(OC)(H)	O[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)	C[5,6](C[6]C[5a]C[6]H)(C[5]C[5]HO)(N[5]C[5])(O[6]C[6]){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[6]N[5]O[6])(C[5]C[5]HH)(OC)(H){1|H<1>,2|C<3>,2|C<4>}	O[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	105.0420	0.000	1	105.0420	0.000	1	105.0420	0.000	1	108.2727	10.998	6	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:2:	4:4:4:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:O-2:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]CH)(O[6]C[6])(OH)	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5]HH)(CC[6a]HH)(H)	O[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6a]HH)	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]CH)(O[6]C[6])(OH){2|C<3>,6|H<1>}	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5]HH)(CC[6a]HH)(H){1|C<4>,2|C<3>,2|H<1>}	O[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6a]HH){1|H<1>,3|C<3>,3|C<4>}	106.4410	0.000	1	106.4410	0.000	1	106.4410	0.000	1	106.9215	0.487	30	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:2:	4:4:4:1:	4:4:	C[5]-4:C[6]-4:O[5]-2:O[6]-2:	C[5,5]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5]C[5,5]CH)(C[6]C[6]CH)(O[5]C[5,5])(O[6]C[6])	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]O[6])(CH3)(H)	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)	C[5,6](C[5]C[5,5]CH)(C[6]C[6]CH)(O[5]C[5,5])(O[6]C[6]){3|C<4>,6|H<1>}	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]O[6])(CH3)(H){1|C<3>,2|H<1>,6|C<4>}	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH){1|C<3>,3|H<1>,5|C<4>}	106.4640	0.000	1	106.4640	0.000	1	107.1164	0.233	26	106.9215	0.487	30	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:2:	4:4:4:1:	4:4:	C[5]-4:C[6]-4:O[5]-2:O[6]-2:	C[5,5]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5]C[5,5]CH)(C[6]C[6]FH)(O[5]C[5,5])(O[6]C[6])	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]O[6])(CH3)(H)	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)	C[5,6](C[5]C[5,5]CH)(C[6]C[6]FH)(O[5]C[5,5])(O[6]C[6]){1|O<2>,3|C<4>,5|H<1>}	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]O[6])(CH3)(H){1|C<3>,1|F<1>,1|H<1>,1|O<2>,5|C<4>}	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH){1|F<1>,3|H<1>,5|C<4>}	107.9460	0.000	1	107.9460	0.000	1	107.1164	0.233	26	106.9215	0.487	30	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:2:	4:4:4:1:	4:4:	C[5]-4:C[6]-4:O[5]-2:O[6]-2:	C[5,5]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5]C[5,5]CH)(C[6]C[6]HH)(O[5]C[5,5])(O[6]C[6])	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]O[6])(CH3)(H)	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)	C[5,6](C[5]C[5,5]CH)(C[6]C[6]HH)(O[5]C[5,5])(O[6]C[6]){3|C<4>,6|H<1>}	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]O[6])(CH3)(H){1|C<3>,3|H<1>,5|C<4>}	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH){4|H<1>,5|C<4>}	107.5725	0.165	2	107.1090	0.205	24	107.1164	0.233	26	106.9215	0.487	30	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:2:	4:4:4:1:	4:4:	C[5]-4:C[6]-4:O[5]-2:O[6]-2:	C[5,5]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5]C[5,5]CH)(C[6]C[6]HH)(O[5]C[5,5])(O[6]C[6])	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]O[6])(CH3)(H)	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)	C[5,6](C[5]C[5,5]CH)(C[6]C[6]HH)(O[5]C[5,5])(O[6]C[6]){3|C<4>,6|H<1>}	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]O[6])(CH3)(H){3|H<1>,6|C<4>}	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH){4|H<1>,5|C<4>}	107.0669	0.449	22	107.1090	0.205	24	107.1164	0.233	26	106.9215	0.487	30	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:2:	4:4:4:1:	4:4:	C[5]-4:C[6]-4:O[5]-2:O[6]-2:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5]C[5]CH)(C[6]C[6]CH)(O[5]C[5])(O[6]C[6])	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(CH3)(H)	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)	C[5,6](C[5]C[5]CH)(C[6]C[6]CH)(O[5]C[5])(O[6]C[6]){1|O<2>,4|C<4>,4|H<1>}	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(CH3)(H){1|H<1>,5|C<4>}	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH){4|H<1>,5|C<4>}	105.2995	0.122	2	105.2995	0.015	2	105.2995	0.015	2	106.9215	0.487	30	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:2:	4:4:4:1:	4:4:	C[5]-4:C[6]-4:O[6]-2:O[5]-2:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[6,6]-4:	C[5,6](C[5]C[5]CH)(C[6]C[6]HH)(O[6]C[6,6])(O[5]C[5])	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(CH3)(H)	O[6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6,6]C[6]H)	C[5,6](C[5]C[5]CH)(C[6]C[6]HH)(O[6]C[6,6])(O[5]C[5]){3|C<4>,6|H<1>}	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(CH3)(H){3|C<4>,3|H<1>}	O[6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6,6]C[6]H){1|O<2>,5|H<1>,6|C<4>}	105.5790	0.000	1	105.5790	0.000	1	105.5790	0.000	1	106.9215	0.487	30	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:2:	4:4:4:3:	4:4:	C[5]-4:C[5]-4:O[6]-2:O[6]-2:	C[5,6]-4:C[5]-4:C-4:C-3:	C[5,6]-4:C[6]-4:	C[5,6](C[5]C[5]CC)(C[5]C[5]HH)(O[6]C[6])2	C[5](C[5,6]C[5]O[6]2)(C[5]C[5]CH)(CH3)(CCO)	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)	C[5,6](C[5]C[5]CC)(C[5]C[5]HH)(O[6]C[6])2{2|C<4>,7|H<1>}	C[5](C[5,6]C[5]O[6]2)(C[5]C[5]CH)(CH3)(CCO){2|C<4>,4|H<1>}	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH){1|C<3>,2|H<1>,6|C<4>}	107.4455	3.260	2	107.4455	10.631	2	107.4455	10.631	2	107.4455	10.631	2	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	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[5]-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[5](C[5,6]C[5,6,6]O[6]C)(O[5]C[5])(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[5](C[5,6]C[5,6,6]O[6]C)(O[5]C[5])(H)2{1|O<1>,3|C<4>}	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>}	114.5660	0.000	1	114.5660	0.000	1	114.5660	0.000	1	114.5660	0.000	1	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:4:	4:3:1:1:	4:3:	C[5,6]-4:C[5]-4:O[6]-2:C-4:	C[5,6]-4:C[5]-3: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[5](C[5,6]C[5,6]O[6]C)(C[5]C[6a]C[5])(H)2	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[5](C[5,6]C[5,6]O[6]C)(C[5]C[6a]C[5])(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	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>}	103.0650	0.000	1	103.0650	0.000	1	103.0650	0.000	1	103.0650	0.000	1	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:4:	4:3:4:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:C-4:	C[5,6]-4:C[5]-3:C-4: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[5](C[5,6]C[5,6]O[6]C)(C[5]O[5]O)(CH3)(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[5](C[5,6]C[5,6]O[6]C)(C[5]O[5]O)(CH3)(H){1|H<1>,2|C<4>}	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>}	103.3770	0.000	1	103.3770	0.000	1	103.3770	0.000	1	103.3770	0.000	1	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:4:	4:4:1:1:	4:4:	C[5,5,6,6]-4:C[5]-4:O[6]-2:C-4:	C[5,6]-4:C[5]-4: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[5](C[5,6]C[5,5,6,6]O[6]C)(C[5]C[5,5,6]HH)(H)2	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[5](C[5,6]C[5,5,6,6]O[6]C)(C[5]C[5,5,6]HH)(H)2{2|O<2>,3|C<4>}	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>}	113.0890	0.000	1	113.0890	0.000	1	113.0890	0.000	1	113.0890	0.000	1	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:2:4:	4:4:2:1:	4:4:	C[3,5,6]-4:C[5]-4:O[6]-2:C-4:	C[5,6]-4:C[5]-4:O-2: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[5](C[5,6]C[3,5,6]O[6]C)(C[5]C[3,5]HH)(OH)(H)	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[5](C[5,6]C[3,5,6]O[6]C)(C[5]C[3,5]HH)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	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>}	111.3415	0.090	2	111.3415	0.008	2	111.3415	0.008	2	111.3415	0.008	2	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:3:2:	4:3:3:3:	4:4:	C[5]-4:C[6]-4:N[5]-3:O[6]-2:	C[5,6]-4:C[6a]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[6]-4:	C[5,6](C[5]C[6a]2C[5])(C[6]C[6]HH)(N[5]C[5]O)(O[6]C[6])	C[5](C[5,6]C[6]N[5]O[6])(C[6a]C[6a]2)2(C[5]C[5]O)	O[6](C[5,6]C[5]C[6]N[5])(C[6]O[6]CC)	C[5,6](C[5]C[6a]2C[5])(C[6]C[6]HH)(N[5]C[5]O)(O[6]C[6]){1|O<2>,2|O<1>,3|C<4>,4|C<3>}	C[5](C[5,6]C[6]N[5]O[6])(C[6a]C[6a]2)2(C[5]C[5]O){1|O<1>,2|C<4>,5|C<3>,6|H<1>}	O[6](C[5,6]C[5]C[6]N[5])(C[6]O[6]CC){1|O<1>,2|H<1>,5|C<3>}	112.2650	0.000	1	112.2650	0.000	1	112.2650	0.000	1	112.2650	0.000	1	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:3:2:	4:3:4:4:	4:4:	C[5]-4:C[6]-4:C[5]-3:O[6]-2:	C[5,6]-4:C[5]-3:C-4:C-4:	C[5,6]-4:C[6]-4:	C[5,6](C[5]C[5]CC)(C[6]C[6]HH)(C[5]C[5]O)(O[6]C[6])	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]H)(CH3)2	O[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)	C[5,6](C[5]C[5]CC)(C[6]C[6]HH)(C[5]C[5]O)(O[6]C[6]){2|C<4>,5|H<1>}	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]H)(CH3)2{1|O<1>,2|C<4>,3|H<1>}	O[6](C[5,6]C[5]2C[6])(C[6]C[6]CH){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	114.1800	0.000	1	114.1800	0.000	1	114.1800	0.000	1	114.1800	0.000	1	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:3:2:	4:4:1:1:	4:4:	C[5]-4:C[6]-4:C[5]-3:O[6]-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[5]C[5]O)(O[6]C[6])	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(H)2	O[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[5]C[5]O)(O[6]C[6]){1|C<4>,8|H<1>}	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	O[6](C[5,6]C[5]2C[6])(C[6]C[6]HH){1|O<1>,4|C<4>,5|H<1>}	114.9340	0.000	1	114.9340	0.000	1	114.9340	0.000	1	114.9340	0.000	1	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:3:2:	4:4:2:1:	4:4:	C[5]-4:C[6]-4:N[5]-3:O[6]-2:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5]C[5]HO)(C[6]C[6]CH)(N[5]C[5]H)(O[6]C[6])	C[5](C[5,6]C[6]N[5]O[6])(C[5]C[5]HH)(OC)(H)	O[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)	C[5,6](C[5]C[5]HO)(C[6]C[6]CH)(N[5]C[5]H)(O[6]C[6]){1|O<1>,3|C<4>,4|H<1>}	C[5](C[5,6]C[6]N[5]O[6])(C[5]C[5]HH)(OC)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	O[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	103.2730	0.000	1	103.2730	0.000	1	106.0012	6.913	4	106.0012	6.913	4	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:3:2:	4:4:2:1:	4:4:	C[5]-4:C[6]-4:N[5]-3:O[6]-2:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5]C[5]HO)(C[6]C[6]HH)(N[5]C[5]H)(O[6]C[6])	C[5](C[5,6]C[6]N[5]O[6])(C[5]C[5]HH)(OC)(H)	O[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)	C[5,6](C[5]C[5]HO)(C[6]C[6]HH)(N[5]C[5]H)(O[6]C[6]){1|O<1>,2|C<4>,5|H<1>}	C[5](C[5,6]C[6]N[5]O[6])(C[5]C[5]HH)(OC)(H){1|O<1>,2|C<4>,3|H<1>}	O[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	106.9107	2.325	3	106.9107	5.407	3	106.0012	6.913	4	106.0012	6.913	4	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:4:2:	4:2:1:1:	4:4:	C[5]-4:C[5]-4:C[6]-4:O[6]-2:	C[5,6]-4:O[5]-2:H-1:H-1:	C[6,6]-4:C[5,6]-4:	C[5,6](C[5]C[5]HH)(C[5]O[5]HH)(C[6]C[6]HH)(O[6]C[6,6])	C[5](C[5,6]C[5]C[6]O[6])(O[5]C[5])(H)2	O[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]2C[6])	C[5,6](C[5]C[5]HH)(C[5]O[5]HH)(C[6]C[6]HH)(O[6]C[6,6]){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5](C[5,6]C[5]C[6]O[6])(O[5]C[5])(H)2{1|O<1>,2|C<4>,4|H<1>}	O[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]2C[6]){1|C<3>,2|O<2>,4|C<4>,7|H<1>}	104.7470	0.000	1	104.7470	0.000	1	104.7470	0.000	1	104.7470	0.000	1	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:4:2:	4:3:1:1:	4:4:	C[5]-4:C[5]-4:C[6]-4:O[6]-2:	C[5,6]-4:C[5]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:	C[5,6](C[5]C[5]HH)(C[5]O[5]HH)(C[6]C[6]HH)(O[6]C[6,6])	C[5](C[5,6]C[5]C[6]O[6])(C[5]O[5]O)(H)2	O[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]2C[6])	C[5,6](C[5]C[5]HH)(C[5]O[5]HH)(C[6]C[6]HH)(O[6]C[6,6]){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5](C[5,6]C[5]C[6]O[6])(C[5]O[5]O)(H)2{2|C<4>,4|H<1>}	O[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]2C[6]){1|C<3>,2|O<2>,4|C<4>,7|H<1>}	113.6330	0.000	1	113.6330	0.000	1	113.6330	0.000	1	113.6330	0.000	1	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:4:2:	4:4:1:1:	4:2:	C[5]-4:C[5]-4:C[6]-4:O[6]-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:O[6]-2:	C[5,6](C[5]C[5]HH)2(C[6]C[6]CO)(O[6]O[6])	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(H)2	O[6](C[5,6]C[5]2C[6])(O[6]C[6])	C[5,6](C[5]C[5]HH)2(C[6]C[6]CO)(O[6]O[6]){1|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(H)2{2|C<4>,2|O<2>,4|H<1>}	O[6](C[5,6]C[5]2C[6])(O[6]C[6]){1|C<3>,2|O<2>,4|C<4>,4|H<1>}	106.3645	6.082	2	106.1963	22.440	4	106.1963	22.440	4	106.1963	22.440	4	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:4:2:	4:4:1:1:	4:2:	C[5]-4:C[5]-4:C[6]-4:O[6]-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:O[6]-2:	C[5,6](C[5]C[5]HH)2(C[6]C[6]CO)(O[6]O[6])	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(H)2	O[6](C[5,6]C[5]2C[6])(O[6]C[6])	C[5,6](C[5]C[5]HH)2(C[6]C[6]CO)(O[6]O[6]){1|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(H)2{2|C<4>,2|O<2>,4|H<1>}	O[6](C[5,6]C[5]2C[6])(O[6]C[6]){2|O<2>,4|H<1>,5|C<4>}	106.0280	5.497	2	106.1963	22.440	4	106.1963	22.440	4	106.1963	22.440	4	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:4:2:	4:4:1:1:	4:4:	C[5]-4:C[5]-4:C[6]-4:O[6]-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH)(O[6]C[6])	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(H)2	O[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)	C[5,6](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH)(O[6]C[6]){2|C<4>,7|H<1>}	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(H)2{3|C<4>,5|H<1>}	O[6](C[5,6]C[5]2C[6])(C[6]C[6]CH){4|C<4>,7|H<1>}	106.6790	0.000	1	106.6790	0.000	1	106.6790	0.000	1	110.8612	8.097	4	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:4:2:	4:4:1:1:	4:4:	C[6]-4:C[5]-4:C[5]-4:O[6]-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[6]C[5,6]HO)(C[5]C[5]HH)(C[5]C[5]HO)(O[6]C[6])	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(H)2	O[6](C[5,6]C[5]2C[6])(C[6]C[5,6]HH)	C[5,6](C[6]C[5,6]HO)(C[5]C[5]HH)(C[5]C[5]HO)(O[6]C[6]){1|C<4>,1|N<3>,7|H<1>}	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(H)2{2|C<4>,2|O<2>,4|H<1>}	O[6](C[5,6]C[5]2C[6])(C[6]C[5,6]HH){2|O<2>,4|C<4>,5|H<1>}	112.2553	0.696	3	112.2553	0.485	3	112.2553	0.485	3	110.8612	8.097	4	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:4:2:	4:4:2:1:	4:4:	C[5]-4:C[5]-4:C[6]-4:O[6]-2:	C[5,6]-4:C[5,5]-4:O-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5]C[5,5]HO)2(C[6]C[6]HH)(O[6]C[6])	C[5](C[5,6]C[5]C[6]O[6])(C[5,5]C[5,5]C[5]H)(OH)(H)	O[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)	C[5,6](C[5]C[5,5]HO)2(C[6]C[6]HH)(O[6]C[6]){1|N<3>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]O[6])(C[5,5]C[5,5]C[5]H)(OH)(H){1|N<3>,2|C<4>,2|O<2>,6|H<1>}	O[6](C[5,6]C[5]2C[6])(C[6]C[6]HH){2|O<2>,3|C<4>,6|H<1>}	106.1320	0.000	1	106.1320	0.000	1	108.6680	12.863	2	105.5186	12.614	5	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:4:2:	4:4:2:1:	4:4:	C[5]-4:C[5]-4:C[6]-4:O[6]-2:	C[5,6]-4:C[5,5]-4:O-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5]C[5,5]HO)2(C[6]C[6]HH)(O[6]C[6])	C[5](C[5,6]C[5]C[6]O[6])(C[5,5]C[5,5]N[5]H)(OH)(H)	O[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)	C[5,6](C[5]C[5,5]HO)2(C[6]C[6]HH)(O[6]C[6]){1|N<3>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]O[6])(C[5,5]C[5,5]N[5]H)(OH)(H){2|O<2>,4|C<4>,4|H<1>}	O[6](C[5,6]C[5]2C[6])(C[6]C[6]HH){2|O<2>,3|C<4>,6|H<1>}	111.2040	0.000	1	111.2040	0.000	1	108.6680	12.863	2	105.5186	12.614	5	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:4:2:	4:4:2:1:	4:4:	C[6]-4:C[5]-4:C[5]-4:O[6]-2:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[6]C[5,6]HO)(C[5]C[5]HH)(C[5]C[5]HO)(O[6]C[6])	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(OH)(H)	O[6](C[5,6]C[5]2C[6])(C[6]C[5,6]HH)	C[5,6](C[6]C[5,6]HO)(C[5]C[5]HH)(C[5]C[5]HO)(O[6]C[6]){1|C<4>,1|N<3>,7|H<1>}	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(OH)(H){1|O<2>,2|C<4>,5|H<1>}	O[6](C[5,6]C[5]2C[6])(C[6]C[5,6]HH){2|O<2>,4|C<4>,5|H<1>}	103.4190	1.505	3	103.4190	2.265	3	103.4190	2.265	3	105.5186	12.614	5	109.2518	14.392	293	109.1196	14.778	427
474	474	622	0:SP3_SP3_SP3	C[5,6]	C[5]	O[6]	4:4:4:2:	4:4:4:1:	4:4:	C[5]-4:C[5]-4:C[6]-4:O[6]-2:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH)(O[6]C[6])	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(CHHO)(H)	O[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)	C[5,6](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH)(O[6]C[6]){2|C<4>,7|H<1>}	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(CHHO)(H){2|C<4>,6|H<1>}	O[6](C[5,6]C[5]2C[6])(C[6]C[6]CH){4|C<4>,7|H<1>}	113.3590	0.000	1	113.3590	0.000	1	113.3590	0.000	1	113.3590	0.000	1	109.2518	14.392	293	109.1196	14.778	427
474	474	622	6:SP3_SP2_SP3	C[5,3x6]	C[5,4x6]	O[6]	4:4:2:2:	4:4:4:4:	4:3:	C[5,4x6]-4:C[6,6]-4:O[5]-2:O[6]-2:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:C[6,6]-4:	C[5,3x6]-4:C[6]-3:	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6])(O[6]C[6])	C[5,4x6](C[5,3x6]C[6,6]O[5]O[6])(C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HN)	O[6](C[5,3x6]C[5,4x6]C[6,6]O[5])(C[6]C[6]O)	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6])(O[6]C[6]){1|N<3>,1|O<1>,5|C<4>,5|H<1>}	C[5,4x6](C[5,3x6]C[6,6]O[5]O[6])(C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HN){11|H<1>,1|C<3>,3|C<4>}	O[6](C[5,3x6]C[5,4x6]C[6,6]O[5])(C[6]C[6]O){4|H<1>,5|C<4>}	110.0900	0.000	1	110.0900	0.000	1	110.0900	0.000	1	110.0900	0.000	1	110.0900	0.000	1	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,3x6]	C[5,5,6,6]	O[6,6]	4:4:2:1:	4:4:4:1:	4:3:	C[5,5,6,6]-4:C[5,6,6]-4:O[6,6]-2:H-1:	C[5,3x6]-4:C[5,3x6]-4:C[5,5]-4:H-1:	C[5,3x6]-4:C[6,6]-3:	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[5,6,6]C[6,6]O[5]H)(O[6,6]C[6,6])(H)	C[5,5,6,6](C[5,3x6]C[5,6,6]O[6,6]H)(C[5,3x6]C[4x6]C[5,6]H)(C[5,5]C[5]O[5]H)(H)	O[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(C[6,6]C[4x6]O)	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[5,6,6]C[6,6]O[5]H)(O[6,6]C[6,6])(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,5,6,6](C[5,3x6]C[5,6,6]O[6,6]H)(C[5,3x6]C[4x6]C[5,6]H)(C[5,5]C[5]O[5]H)(H){1|C<4>,1|H<1>,4|C<3>}	O[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(C[6,6]C[4x6]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	112.8475	0.547	2	112.8475	0.299	2	112.8270	0.102	4	112.7974	0.081	5	112.7974	0.081	5	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,3x6]	C[5,5,6,6]	O[6,6]	4:4:2:1:	4:4:4:1:	4:3:	C[5,5,6,6]-4:C[5,6,6]-4:O[6,6]-2:H-1:	C[5,3x6]-4:C[5,3x6]-4:C[5,5]-4:H-1:	C[5,3x6]-4:C[6,6]-3:	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[5,6,6]C[6,6]O[5]H)(O[6,6]C[6,6])(H)	C[5,5,6,6](C[5,3x6]C[5,6,6]O[6,6]H)(C[5,3x6]C[4x6]C[5,6]O)(C[5,5]C[5]O[5]H)(H)	O[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(C[6,6]C[4x6]O)	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[5,6,6]C[6,6]O[5]H)(O[6,6]C[6,6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,5,6,6](C[5,3x6]C[5,6,6]O[6,6]H)(C[5,3x6]C[4x6]C[5,6]O)(C[5,5]C[5]O[5]H)(H){1|H<1>,2|C<4>,3|C<3>}	O[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(C[6,6]C[4x6]O){1|O<2>,2|H<1>,4|C<4>}	112.8600	0.000	1	112.8600	0.000	1	112.8270	0.102	4	112.7974	0.081	5	112.7974	0.081	5	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,3x6]	C[5,5,6,6]	O[6,6]	4:4:2:1:	4:4:4:1:	4:3:	C[5,5,6,6]-4:C[5,6,6]-4:O[6,6]-2:H-1:	C[5,3x6]-4:C[5,3x6]-4:C[5,5]-4:H-1:	C[5,3x6]-4:C[6,6]-3:	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[5,6,6]C[6,6]O[5]H)(O[6,6]C[6,6])(H)	C[5,5,6,6](C[5,3x6]C[5,6,6a]C[4x6]H)(C[5,3x6]C[5,6,6]O[6,6]H)(C[5,5]C[5,6a]O[5]H)(H)	O[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(C[6,6]C[4x6]O)	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[5,6,6]C[6,6]O[5]H)(O[6,6]C[6,6])(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,5,6,6](C[5,3x6]C[5,6,6a]C[4x6]H)(C[5,3x6]C[5,6,6]O[6,6]H)(C[5,5]C[5,6a]O[5]H)(H){1|H<1>,2|C<4>,3|C<3>}	O[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(C[6,6]C[4x6]O){1|O<2>,2|H<1>,4|C<4>}	112.7530	0.000	1	112.7530	0.000	1	112.8270	0.102	4	112.7974	0.081	5	112.7974	0.081	5	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,3x6]	C[5,5,6,6]	O[6,6]	4:4:2:1:	4:4:4:1:	4:3:	C[5,5,6,6]-4:C[5,6,6]-4:O[6,6]-2:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[5,5]-4:H-1:	C[5,3x6]-4:C[6,6]-3:	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6,6]C[6,6]O[5]H)(O[6,6]C[6,6])(H)	C[5,5,6,6](C[5,3x6]C[5,6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5,5]C[5]O[5]H)(H)	O[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(C[6,6]C[3x6]O)	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6,6]C[6,6]O[5]H)(O[6,6]C[6,6])(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,5,6,6](C[5,3x6]C[5,6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5,5]C[5]O[5]H)(H){1|C<3>,1|C<4>,4|H<1>}	O[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(C[6,6]C[3x6]O){1|O<2>,3|C<4>,3|H<1>}	112.6790	0.000	1	112.6790	0.000	1	112.6790	0.000	1	112.7974	0.081	5	112.7974	0.081	5	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,3x6]	C[5,6,6]	O[6,6]	4:4:2:1:	4:4:2:1:	4:3:	C[5,5,6,6]-4:C[5,6,6]-4:O[6,6]-2:H-1:	C[5,3x6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,3x6]-4:C[6,6]-3:	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[5,6,6]C[6,6]O[5]H)(O[6,6]C[6,6])(H)	C[5,6,6](C[5,3x6]C[5,5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(O[5]C[5,5])(H)	O[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(C[6,6]C[4x6]O)	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[5,6,6]C[6,6]O[5]H)(O[6,6]C[6,6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6,6](C[5,3x6]C[5,5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(O[5]C[5,5])(H){2|C<3>,2|C<4>,2|H<1>}	O[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(C[6,6]C[4x6]O){1|O<2>,2|H<1>,4|C<4>}	112.8800	0.000	1	112.6292	0.126	4	112.8082	0.255	5	112.8082	0.255	5	111.3801	6.167	7	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,3x6]	C[5,6,6]	O[6,6]	4:4:2:1:	4:4:2:1:	4:3:	C[5,5,6,6]-4:C[5,6,6]-4:O[6,6]-2:H-1:	C[5,3x6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,3x6]-4:C[6,6]-3:	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[5,6,6]C[6,6]O[5]H)(O[6,6]C[6,6])(H)	C[5,6,6](C[5,3x6]C[5,5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(O[5]C[5,5])(H)	O[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(C[6,6]C[4x6]O)	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[5,6,6]C[6,6]O[5]H)(O[6,6]C[6,6])(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[5,3x6]C[5,5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(O[5]C[5,5])(H){1|C<4>,2|H<1>,3|C<3>}	O[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(C[6,6]C[4x6]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	112.7495	0.211	2	112.6292	0.126	4	112.8082	0.255	5	112.8082	0.255	5	111.3801	6.167	7	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,3x6]	C[5,6,6]	O[6,6]	4:4:2:1:	4:4:2:1:	4:3:	C[5,5,6,6]-4:C[5,6,6]-4:O[6,6]-2:H-1:	C[5,3x6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,3x6]-4:C[6,6]-3:	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[5,6,6]C[6,6]O[5]H)(O[6,6]C[6,6])(H)	C[5,6,6](C[5,3x6]C[5,5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(O[5]C[5,5])(H)	O[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(C[6,6]C[4x6]O)	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[5,6,6]C[6,6]O[5]H)(O[6,6]C[6,6])(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[5,3x6]C[5,5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(O[5]C[5,5])(H){2|C<3>,2|C<4>,2|H<1>}	O[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(C[6,6]C[4x6]O){1|O<2>,2|H<1>,4|C<4>}	112.1380	0.000	1	112.6292	0.126	4	112.8082	0.255	5	112.8082	0.255	5	111.3801	6.167	7	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,3x6]	C[5,6,6]	O[6,6]	4:4:2:1:	4:4:2:1:	4:3:	C[5,5,6,6]-4:C[5,6,6]-4:O[6,6]-2:H-1:	C[5,3x6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,3x6]-4:C[6,6]-3:	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6,6]C[6,6]O[5]H)(O[6,6]C[6,6])(H)	C[5,6,6](C[5,3x6]C[5,5,6,6]O[6,6]H)(C[6,6]C[3x6]CH)(O[5]C[5,5])(H)	O[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(C[6,6]C[3x6]O)	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6,6]C[6,6]O[5]H)(O[6,6]C[6,6])(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[5,3x6]C[5,5,6,6]O[6,6]H)(C[6,6]C[3x6]CH)(O[5]C[5,5])(H){1|C<4>,2|C<3>,3|H<1>}	O[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(C[6,6]C[3x6]O){1|O<2>,3|C<4>,3|H<1>}	113.5240	0.000	1	113.5240	0.000	1	112.8082	0.255	5	112.8082	0.255	5	111.3801	6.167	7	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,3x6]	C[5,6,6]	O[6,6]	4:4:2:4:	4:4:4:1:	4:3:	C[5,6,6]-4:C[5,6,6]-4:O[6,6]-2:C[5]-4:	C[5,3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,3x6]-4:C[6,6]-3:	C[5,3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[6,6]C[5]H)(O[6,6]C[6,6])(C[5]C[5]HH)	C[5,6,6](C[5,3x6]C[5,6,6]O[6,6]C[5])(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H)	O[6,6](C[5,3x6]C[5,6,6]2C[5])(C[6,6]C[3x6]O)	C[5,3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[6,6]C[5]H)(O[6,6]C[6,6])(C[5]C[5]HH){1|C<3>,1|O<1>,3|C<4>,8|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]O[6,6]C[5])(C[5,6,6]C[3x6]C[5]H)(C[5]C[5]HH)(H){1|C<3>,4|C<4>,7|H<1>}	O[6,6](C[5,3x6]C[5,6,6]2C[5])(C[6,6]C[3x6]O){4|H<1>,6|C<4>}	107.4240	0.000	1	107.4240	0.000	1	107.4240	0.000	1	107.8100	0.298	2	111.3801	6.167	7	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,3x6]	C[5,6,6]	O[6,6]	4:4:2:4:	4:4:4:1:	4:3:	C[5,6,6]-4:C[5,6,6]-4:O[6,6]-2:C[5]-4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,3x6]-4:C[6,6]-3:	C[5,3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[6,6]C[5]H)(O[6,6]C[6,6])(C[5]C[5]HH)	C[5,6,6](C[5,3x6]C[5,6,6]O[6,6]C[5])(C[6,6]C[3x6]CH)(C[5]C[5]HH)(H)	O[6,6](C[5,3x6]C[5,6,6]2C[5])(C[6,6]C[3x6]O)	C[5,3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[6,6]C[5]H)(O[6,6]C[6,6])(C[5]C[5]HH){1|C<3>,1|O<1>,3|C<4>,8|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]O[6,6]C[5])(C[6,6]C[3x6]CH)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,5|H<1>}	O[6,6](C[5,3x6]C[5,6,6]2C[5])(C[6,6]C[3x6]O){4|H<1>,6|C<4>}	108.1960	0.000	1	108.1960	0.000	1	108.1960	0.000	1	107.8100	0.298	2	111.3801	6.167	7	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,3x6]	C[5,6,6]	O[6]	4:4:3:2:	4:3:3:4:	4:3:	C[5,6,6]-4:C[3x6]-4:N[5,6]-3:O[6]-2:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[5,3x6]-4:C[6]-3:	C[5,3x6](C[5,6,6]C[5,6a]C[6,6a]C[6])(C[3x6]C[6,6]N[6,6]H)(N[5,6]C[5,6a]C[6])(O[6]C[6])	C[5,6,6](C[5,3x6]C[3x6]N[5,6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	O[6](C[5,3x6]C[5,6,6]C[3x6]N[5,6])(C[6]C[6,6a]O)	C[5,3x6](C[5,6,6]C[5,6a]C[6,6a]C[6])(C[3x6]C[6,6]N[6,6]H)(N[5,6]C[5,6a]C[6])(O[6]C[6]){1|O<1>,3|C<4>,5|C<3>,5|H<1>}	C[5,6,6](C[5,3x6]C[3x6]N[5,6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|N<3>,2|C<4>,5|C<3>,5|H<1>}	O[6](C[5,3x6]C[5,6,6]C[3x6]N[5,6])(C[6]C[6,6a]O){1|H<1>,1|N<3>,3|C<4>,4|C<3>}	109.2290	0.000	1	109.2290	0.000	1	109.2290	0.000	1	109.2290	0.000	1	109.2290	0.000	1	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,5,6]	C[3x5,6]	O[6]	4:3:2:2:	4:4:4:3:	4:3:	C[3x5,6]-4:C[5,6a]-3:O[6]-2:O[5]-2:	C[5,5,6]-4:C[5,6]-4:C[5,5]-4:C[5]-3:	C[5,5,6]-4:C[6,6a]-3:	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(O[6]C[6,6a])(O[5]C[5])	C[3x5,6](C[5,5,6]C[5,6a]O[5]O[6])(C[5,6]C[6,6a]C[5]H)(C[5,5]C[5]N[5]C)(C[5]C[5,6a]O)	O[6](C[5,5,6]C[3x5,6]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6a])	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(O[6]C[6,6a])(O[5]C[5]){1|C<4>,1|N<3>,2|H<1>,2|O<1>,5|C<3>}	C[3x5,6](C[5,5,6]C[5,6a]O[5]O[6])(C[5,6]C[6,6a]C[5]H)(C[5,5]C[5]N[5]C)(C[5]C[5,6a]O){1|O<1>,2|H<1>,5|C<3>}	O[6](C[5,5,6]C[3x5,6]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6a]){1|H<1>,2|C<4>,6|C<3>}	114.6850	0.000	1	114.6850	0.000	1	114.6850	0.000	1	114.6850	0.000	1	114.6850	0.000	1	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	O[6]	4:4:4:2:	3:4:4:2:	4:3:	C[5,5,6]-4:C[5]-4:C[5]-4:O[6]-2:	C[5,6a]-3:C[5,5,6]-4:C[5]-4:O[6]-2:	C[5,5,6]-4:C[6,6]-3:	C[5,5,6](C[5,5,6]C[5,6a]C[5]O[6])(C[5]C[5,6a]HH)(C[5]C[5]HH)(O[6]C[6,6])	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5]2O[6])(C[5]C[5]HH)(O[6]C[6,6])	O[6](C[5,5,6]C[5,5,6]C[5]2)(C[6,6]C[6,6]C[6])	C[5,5,6](C[5,5,6]C[5,6a]C[5]O[6])(C[5]C[5,6a]HH)(C[5]C[5]HH)(O[6]C[6,6]){1|C<4>,3|C<3>,4|H<1>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5]2O[6])(C[5]C[5]HH)(O[6]C[6,6]){1|C<4>,1|O<2>,3|C<3>,7|H<1>}	O[6](C[5,5,6]C[5,5,6]C[5]2)(C[6,6]C[6,6]C[6]){2|O<2>,3|C<3>,4|C<4>,4|H<1>}	112.7900	0.000	1	112.7900	0.000	1	112.7900	0.000	1	112.7900	0.000	1	112.7900	0.000	1	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6,6]	C[5,5,6,6]	O[6]	4:2:2:1:	4:3:4:1:	4:3:	C[5,5,6,6]-4:O[5,6]-2:O[6]-2:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6]-4:C[6,6]-3:	C[5,6,6](C[5,5,6,6]C[5,6,6a]C[5,5,6]H)(O[5,6]C[5,5,6])(O[6]C[6,6])(H)	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]O[5,6]O[6]H)(H)	O[6](C[5,6,6]C[5,5,6,6]O[5,6]H)(C[6,6]C[6,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,6,6a]C[5,5,6]H)(O[5,6]C[5,5,6])(O[6]C[6,6])(H){1|C<4>,2|H<1>,3|C<3>}	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]O[5,6]O[6]H)(H){2|H<1>,4|C<3>}	O[6](C[5,6,6]C[5,5,6,6]O[5,6]H)(C[6,6]C[6,6]C[6]){2|C<3>,3|C<4>,3|H<1>}	111.4470	0.000	1	111.4470	0.000	1	111.4470	0.000	1	111.4470	0.000	1	112.7832	1.932	6	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6,6]	C[5,5,6,6]	O[6]	4:3:2:1:	4:3:4:1:	4:3:	C[5,5,6,6]-4:N[5,6]-3:O[6]-2:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6]-4:C[6,6]-3:	C[5,6,6](C[5,5,6,6]C[5,6,6a]C[5,5,6]H)(N[5,6]C[5,5,6]C)(O[6]C[6,6])(H)	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]N[5,6]O[6]H)(H)	O[6](C[5,6,6]C[5,5,6,6]N[5,6]H)(C[6,6]C[6,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,6,6a]C[5,5,6]H)(N[5,6]C[5,5,6]C)(O[6]C[6,6])(H){1|C<4>,2|H<1>,3|C<3>}	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]N[5,6]O[6]H)(H){2|H<1>,5|C<3>}	O[6](C[5,6,6]C[5,5,6,6]N[5,6]H)(C[6,6]C[6,6]C[6]){3|C<3>,3|C<4>,3|H<1>}	110.7380	0.000	1	110.7380	0.000	1	110.7380	0.000	1	110.7380	0.000	1	112.7832	1.932	6	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6,6]	C[5,5,6,6]	O[6]	4:4:2:1:	4:4:2:4:	4:3:	C[5,5,6,6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:O[5,5]-2:C-4:	C[5,6,6]-4:C[6]-3:	C[5,6,6](C[5,5,6,6]C[5,6,6]O[5,5]C)(C[5,6]C[5,5,6]HS)(O[6]C[6])(H)	C[5,5,6,6](C[5,6,6]C[5,6]O[6]C)(C[5,6,6]C[5,6]O[6]H)(O[5,5]C[5,5,6])(CH3)	O[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]O[6]O)	C[5,6,6](C[5,5,6,6]C[5,6,6]O[5,5]C)(C[5,6]C[5,5,6]HS)(O[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,5,6,6](C[5,6,6]C[5,6]O[6]C)(C[5,6,6]C[5,6]O[6]H)(O[5,5]C[5,5,6])(CH3){1|C<3>,1|S<2>,2|F<1>,2|H<1>}	O[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]O[6]O){1|H<1>,1|O<2>,1|S<2>,3|C<4>}	113.9850	0.000	1	113.9850	0.000	1	113.9850	0.000	1	113.9850	0.000	1	112.7832	1.932	6	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6,6]	C[5,5,6,6]	O[6]	4:4:2:1:	4:4:3:4:	4:3:	C[5,5,6,6]-4:C[5,5,6]-4:O[6]-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-3:C[5]-4:	C[5,6,6]-4:C[6]-3:	C[5,6,6](C[5,5,6,6]C[5,5,6]N[5,6]C[5])(C[5,5,6]C[5,5]C[5,6]C)(O[6]C[6])(H)	C[5,5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(N[5,6]C[5,6]H)(C[5]C[5]CH)	O[6](C[5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[5,6]O)	C[5,6,6](C[5,5,6,6]C[5,5,6]N[5,6]C[5])(C[5,5,6]C[5,5]C[5,6]C)(O[6]C[6])(H){1|C<3>,1|O<1>,5|C<4>,5|H<1>}	C[5,5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(N[5,6]C[5,6]H)(C[5]C[5]CH){1|C<3>,4|H<1>,5|C<4>}	O[6](C[5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[5,6]O){1|H<1>,1|N<3>,6|C<4>}	113.5820	0.000	1	113.5820	0.000	1	113.2415	0.232	2	113.2415	0.232	2	112.7832	1.932	6	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6,6]	C[5,5,6,6]	O[6]	4:4:2:1:	4:4:3:4:	4:3:	C[5,5,6,6]-4:C[5,5,6]-4:O[6]-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-3:C[5]-4:	C[5,6,6]-4:C[6]-3:	C[5,6,6](C[5,5,6,6]C[5,5,6]N[5,6]C[5])(C[5,5,6]C[5,5]C[5,6]C)(O[6]C[6])(H)	C[5,5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(N[5,6]C[5,6]H)(C[5]C[5]HN)	O[6](C[5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[5,6]O)	C[5,6,6](C[5,5,6,6]C[5,5,6]N[5,6]C[5])(C[5,5,6]C[5,5]C[5,6]C)(O[6]C[6])(H){1|N<3>,1|O<1>,5|C<4>,5|H<1>}	C[5,5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(N[5,6]C[5,6]H)(C[5]C[5]HN){1|C<3>,4|H<1>,5|C<4>}	O[6](C[5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[5,6]O){1|H<1>,1|N<3>,6|C<4>}	112.9010	0.000	1	112.9010	0.000	1	113.2415	0.232	2	113.2415	0.232	2	112.7832	1.932	6	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6,6]	C[5,5,6,6]	O[6]	4:4:2:3:	4:4:2:4:	4:3:	C[5,5,6,6]-4:C[5,6]-4:O[6]-2:C-3:	C[5,6,6]-4:C[5,6,6]-4:O[5,5]-2:C-4:	C[5,6,6]-4:C[6]-3:	C[5,6,6](C[5,5,6,6]C[5,6,6]O[5,5]C)(C[5,6]C[5,5,6]FF)(O[6]C[6])(COO)	C[5,5,6,6](C[5,6,6]C[5,6]O[6]C)(C[5,6,6]C[5,6]O[6]H)(O[5,5]C[5,5,6])(CH3)	O[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]O[6]O)	C[5,6,6](C[5,5,6,6]C[5,6,6]O[5,5]C)(C[5,6]C[5,5,6]FF)(O[6]C[6])(COO){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6]O[6]C)(C[5,6,6]C[5,6]O[6]H)(O[5,5]C[5,5,6])(CH3){1|C<3>,1|S<2>,2|F<1>,2|H<1>}	O[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]O[6]O){1|O<2>,2|F<1>,3|C<4>}	114.0460	0.000	1	114.0460	0.000	1	114.0460	0.000	1	114.0460	0.000	1	112.7832	1.932	6	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	O[6]	4:2:4:2:	4:4:4:1:	4:3:	C[5,6,6]-4:O[6]-2:C[6]-4:O[5]-2:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6a]-3:	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(O[6]C[6,6a])(C[6]C[6]CC)(O[5]C[5])	C[5,6,6](C[5,6,6]C[6]O[5]O[6])(C[6,6]C[6,6a]C[6]H)(C[5]C[5]HH)(H)	O[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6a]C[6,6a]C[6a])	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(O[6]C[6,6a])(C[6]C[6]CC)(O[5]C[5]){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[6]O[5]O[6])(C[6,6]C[6,6a]C[6]H)(C[5]C[5]HH)(H){3|C<3>,6|C<4>}	O[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6a]C[6,6a]C[6a]){1|H<1>,4|C<3>,5|C<4>}	111.2880	0.000	1	111.2880	0.000	1	111.2880	0.000	1	111.2880	0.000	1	111.0210	3.995	19	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	O[6]	4:2:4:3:	4:4:4:1:	4:3:	C[5,6,6]-4:O[6]-2:C[5]-4:N[6]-3:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6a]-3:	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(O[6]C[6,6a])(C[5]C[5]HH)(N[6]C[6]C)	C[5,6,6](C[5,6,6]C[5]N[6]O[6])(C[6,6]C[6,6a]C[6]H)(C[5]C[5]HH)(H)	O[6](C[5,6,6]C[5,6,6]C[5]N[6])(C[6,6a]C[6,6a]C[6a])	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(O[6]C[6,6a])(C[5]C[5]HH)(N[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5,6,6](C[5,6,6]C[5]N[6]O[6])(C[6,6]C[6,6a]C[6]H)(C[5]C[5]HH)(H){1|C<4>,1|P<4>,3|C<3>,5|H<1>}	O[6](C[5,6,6]C[5,6,6]C[5]N[6])(C[6,6a]C[6,6a]C[6a]){3|C<3>,4|C<4>,4|H<1>}	110.6090	0.000	1	110.5443	0.546	9	110.5443	0.546	9	110.5443	0.546	9	111.0210	3.995	19	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	O[6]	4:2:4:3:	4:4:4:1:	4:3:	C[5,6,6]-4:O[6]-2:C[5]-4:N[6]-3:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6a]-3:	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(O[6]C[6,6a])(C[5]C[5]HH)(N[6]C[6]C)	C[5,6,6](C[5,6,6]C[5]N[6]O[6])(C[6,6]C[6,6a]C[6]H)(C[5]C[5]HH)(H)	O[6](C[5,6,6]C[5,6,6]C[5]N[6])(C[6,6a]C[6,6a]C[6a])	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(O[6]C[6,6a])(C[5]C[5]HH)(N[6]C[6]C){1|O<1>,3|C<3>,5|H<1>}	C[5,6,6](C[5,6,6]C[5]N[6]O[6])(C[6,6]C[6,6a]C[6]H)(C[5]C[5]HH)(H){1|C<4>,4|C<3>,4|H<1>}	O[6](C[5,6,6]C[5,6,6]C[5]N[6])(C[6,6a]C[6,6a]C[6a]){3|C<3>,4|C<4>,4|H<1>}	110.5362	0.789	8	110.5443	0.546	9	110.5443	0.546	9	110.5443	0.546	9	111.0210	3.995	19	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	O[6]	4:3:2:3:	4:3:2:2:	4:3:	C[5,6,6]-4:C[5,6a]-3:O[6]-2:C[6]-3:	C[5,6,6]-4:C[6]-3:O[5]-2:O[6]-2:	C[5,6,6]-4:C[6,6a]-3:	C[5,6,6](C[5,6,6]C[6]O[5]O[6])(C[5,6a]C[5,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]C)	C[5,6,6](C[5,6,6]C[5,6a]C[6]O[6])(C[6]C[6,6a]O)(O[5]C[5,6a])(O[6]C[6])	O[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6,6a]C[6,6a]C[6a])	C[5,6,6](C[5,6,6]C[6]O[5]O[6])(C[5,6a]C[5,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]C){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6,6](C[5,6,6]C[5,6a]C[6]O[6])(C[6]C[6,6a]O)(O[5]C[5,6a])(O[6]C[6]){1|C<4>,2|H<1>,5|C<3>}	O[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,2|O<2>,6|C<3>}	114.1880	0.000	1	114.1880	0.000	1	114.1880	0.000	1	114.1880	0.000	1	111.0210	3.995	19	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	O[6]	4:3:4:2:	4:4:3:3:	4:3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-4:O[6]-2:	C[5,6,6]-4:C[5,6,6]-4:C[5]-3:C[5]-3:	C[5,6,6]-4:C[5,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6]C[5]2)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(O[6]C[5,6])	C[5,6,6](C[5,6,6]C[5,6a]C[5,6]O[6])(C[5,6,6]C[5,6a]C[5,6]2)(C[5]C[5,6a]O)2	O[6](C[5,6,6]C[5,6,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[5,6])	C[5,6,6](C[5,6,6]C[5,6,6]C[5]2)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(O[6]C[5,6]){1|C<4>,2|H<1>,3|O<1>,8|C<3>}	C[5,6,6](C[5,6,6]C[5,6a]C[5,6]O[6])(C[5,6,6]C[5,6a]C[5,6]2)(C[5]C[5,6a]O)2{10|C<3>,1|C<4>,2|H<1>}	O[6](C[5,6,6]C[5,6,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[5,6]){1|H<1>,2|C<4>,8|C<3>}	110.3620	0.141	2	110.3620	0.020	2	110.3620	0.020	2	110.3620	0.020	2	111.0210	3.995	19	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	O[6]	4:4:2:1:	4:4:3:1:	4:3:	C[5,5,6]-4:C[5,6,6]-4:O[6]-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[6,6a]-3:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]N[6]H)(O[6]C[6,6a])(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(N[6]C[6,6a]S)(H)	O[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]N[6]H)(O[6]C[6,6a])(H){1|C<4>,1|S<4>,2|C<3>,5|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(N[6]C[6,6a]S)(H){1|C<4>,2|C<3>,5|H<1>}	O[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a]){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	107.9650	0.000	1	107.9650	0.000	1	107.9650	0.000	1	112.5870	42.726	2	111.0210	3.995	19	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	O[6]	4:4:2:1:	4:4:3:1:	4:3:	C[5,6,6]-4:C[5,5,6]-4:O[6]-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6,6a]-3:H-1:	C[5,6,6]-4:C[6]-3:	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,6]N[5,5]H)(O[6]C[6])(H)	C[5,6,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6,6]C[5,5,6]O[6]H)(C[6,6a]C[6,6a]C[6a])(H)	O[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6,6a]O)	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,6]N[5,5]H)(O[6]C[6])(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6,6]C[5,5,6]O[6]H)(C[6,6a]C[6,6a]C[6a])(H){3|C<3>,3|C<4>,3|H<1>}	O[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6,6a]O){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	117.2090	0.000	1	117.2090	0.000	1	117.2090	0.000	1	112.5870	42.726	2	111.0210	3.995	19	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	O[6]	4:4:2:1:	4:4:4:1:	4:3:	C[5,5,6]-4:C[5,6,6]-4:O[6]-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-3:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]C[6]H)(O[6]C[6])(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(C[6]O[6]CH)(H)	O[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]O[6]O)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]C[6]H)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(C[6]O[6]CH)(H){1|C<3>,2|H<1>,4|C<4>}	O[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]O[6]O){1|H<1>,5|C<4>}	112.9830	0.000	1	112.9830	0.000	1	112.9830	0.000	1	112.9830	0.000	1	111.0210	3.995	19	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	O[6]	4:4:2:2:	4:4:3:2:	4:3:	C[5,6,6]-4:C[5,6]-4:O[6]-2:O-2:	C[5,6,6]-4:C[6]-4:C[6]-3:O[5]-2:	C[5,6,6]-4:C[6]-3:	C[5,6,6](C[5,6,6]C[6]2O[5])(C[5,6]C[5,6]C[5]H)(O[6]C[6])(OH)	C[5,6,6](C[5,6,6]C[5,6]O[6]O)(C[6]C[6]HH)(C[6]C[6]C)(O[5]C[5])	O[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]O)	C[5,6,6](C[5,6,6]C[6]2O[5])(C[5,6]C[5,6]C[5]H)(O[6]C[6])(OH){1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[5,6,6](C[5,6,6]C[5,6]O[6]O)(C[6]C[6]HH)(C[6]C[6]C)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	110.3650	0.000	1	110.3650	0.000	1	110.3650	0.000	1	110.3650	0.000	1	111.0210	3.995	19	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	O[6]	4:4:4:2:	4:4:4:2:	4:3:	C[3x5]-4:C[5,6,6]-4:C[6]-4:O[6]-2:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[6]-3:	C[5,6,6](C[3x5]C[3x5]C[5]O[5])(C[5,6,6]C[5,6]C[6]O)(C[6]C[6]HO)(O[6]C[6])	C[5,6,6](C[5,6,6]C[3x5]C[6]O[6])(C[5,6]C[3x5]C[6]C)(C[6]C[6]HH)(OC)	O[6](C[5,6,6]C[5,6,6]C[3x5]C[6])(C[6]C[6]O)	C[5,6,6](C[3x5]C[3x5]C[5]O[5])(C[5,6,6]C[5,6]C[6]O)(C[6]C[6]HO)(O[6]C[6]){1|B<3>,1|C<3>,1|O<1>,1|O<2>,3|H<1>,6|C<4>}	C[5,6,6](C[5,6,6]C[3x5]C[6]O[6])(C[5,6]C[3x5]C[6]C)(C[6]C[6]HH)(OC){2|C<3>,2|C<4>,3|O<2>,5|H<1>}	O[6](C[5,6,6]C[5,6,6]C[3x5]C[6])(C[6]C[6]O){1|C<3>,3|H<1>,3|O<2>,4|C<4>}	110.0120	0.000	1	110.0120	0.000	1	110.0120	0.000	1	109.8890	0.030	2	111.0210	3.995	19	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	O[6]	4:4:4:2:	4:4:4:2:	4:3:	C[5,6,6]-4:C[5,5]-4:C[6]-4:O[6]-2:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O-2:	C[5,6,6]-4:C[6]-3:	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[5,5]C[5,5]C[5]O)(C[6]C[6]HO)(O[6]C[6])	C[5,6,6](C[5,6,6]C[5,5]C[6]O[6])(C[5,6]C[5,5]C[6]C)(C[6]C[6]HH)(OH)	O[6](C[5,6,6]C[5,6,6]C[5,5]C[6])(C[6]C[6]O)	C[5,6,6](C[5,6,6]C[5,6]C[6]O)(C[5,5]C[5,5]C[5]O)(C[6]C[6]HO)(O[6]C[6]){1|C<3>,1|O<1>,1|O<2>,3|H<1>,6|C<4>}	C[5,6,6](C[5,6,6]C[5,5]C[6]O[6])(C[5,6]C[5,5]C[6]C)(C[6]C[6]HH)(OH){2|C<3>,2|C<4>,3|O<2>,5|H<1>}	O[6](C[5,6,6]C[5,6,6]C[5,5]C[6])(C[6]C[6]O){1|C<3>,3|H<1>,3|O<2>,4|C<4>}	109.7660	0.000	1	109.7660	0.000	1	109.7660	0.000	1	109.8890	0.030	2	111.0210	3.995	19	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[3x5,6]	O[6]	4:2:2:1:	4:4:4:4:	4:3:	C[3x5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:C[5,5]-4:	C[5,6]-4:C[6]-3:	C[5,6](C[3x5,6]C[5,5]2C[5,6])(O[5]C[5])(O[6]C[6])(H)	C[3x5,6](C[5,6]C[5]C[6]C)(C[5,6]O[5]O[6]H)(C[5,5]C[5]2H)2	O[6](C[5,6]C[3x5,6]O[5]H)(C[6]C[6]O)	C[5,6](C[3x5,6]C[5,5]2C[5,6])(O[5]C[5])(O[6]C[6])(H){2|H<1>,2|O<1>,6|C<4>}	C[3x5,6](C[5,6]C[5]C[6]C)(C[5,6]O[5]O[6]H)(C[5,5]C[5]2H)2{1|C<3>,1|O<1>,2|C<4>,8|H<1>}	O[6](C[5,6]C[3x5,6]O[5]H)(C[6]C[6]O){1|C<3>,2|H<1>,3|C<4>}	113.6550	0.846	2	113.6550	0.715	2	113.6550	0.715	2	113.6550	0.715	2	113.6550	0.715	2	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,5,6]	O[6]	4:2:2:1:	4:4:4:1:	4:3:	C[5,5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,6]-4:C[6]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(O[6]C[6])(H)	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]O[5]O[6]H)(C[5,5]C[5]2H)(H)	O[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(O[6]C[6])(H){1|C<3>,1|S<2>,2|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]O[5]O[6]H)(C[5,5]C[5]2H)(H){1|S<2>,2|C<3>,5|H<1>}	O[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]H){1|C<3>,1|H<1>,3|C<4>}	113.1500	0.000	1	113.1500	0.000	1	113.1500	0.000	1	113.1500	0.000	1	112.4372	1.504	5	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,5,6]	O[6]	4:2:4:4:	4:4:4:1:	4:3:	C[5,5,6]-4:O[6]-2:C[5]-4:C-4:	C[5,6]-4:C[5,6]-4:C[5,5]-4: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[5,5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]O[6]C)(C[5,5]C[5]2H)(H)	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[5,5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]O[6]C)(C[5,5]C[5]2H)(H){2|C<3>,2|C<4>,4|H<1>}	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>}	113.7130	0.000	1	113.7130	0.000	1	113.7130	0.000	1	113.7130	0.000	1	112.4372	1.504	5	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,5,6]	O[6]	4:3:2:1:	3:3:4:4:	4:3:	C[5,5,6]-4:N[5]-3:O[6]-2:H-1:	C[5,6a]-3:N[5,6]-3:C[5,6]-4:C[5]-4:	C[5,6]-4:C[6,6a]-3:	C[5,6](C[5,5,6]C[5,6a]N[5,6]C[5])(N[5]C[5,6a]S)(O[6]C[6,6a])(H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5])(C[5,6]N[5]O[6]H)(C[5]C[5]HH)	O[6](C[5,6]C[5,5,6]N[5]H)(C[6,6a]C[6,6a]C[6a])	C[5,6](C[5,5,6]C[5,6a]N[5,6]C[5])(N[5]C[5,6a]S)(O[6]C[6,6a])(H){1|C<4>,2|H<1>,5|C<3>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5])(C[5,6]N[5]O[6]H)(C[5]C[5]HH){1|N<3>,1|O<1>,1|S<4>,2|H<1>,4|C<3>}	O[6](C[5,6]C[5,5,6]N[5]H)(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,1|S<4>,4|C<3>}	112.9780	0.000	1	112.9780	0.000	1	112.9780	0.000	1	112.9780	0.000	1	112.4372	1.504	5	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,5,6]	O[6]	4:3:2:1:	4:4:2:4:	4:3:	C[5,5,6]-4:C[5,6a]-3:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:C[5]-4:	C[5,6]-4:C[6,6a]-3:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(O[6]C[6,6a])(H)	C[5,5,6](C[5,6]C[5,6a]O[6]H)(C[5,6]C[6,6a]C[5]H)(O[5]C[5,6a])(C[5]O[5]CC)	O[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6,6a]C[6a,6a]C[6,6a])	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(O[6]C[6,6a])(H){1|C<4>,1|H<1>,1|O<2>,7|C<3>}	C[5,5,6](C[5,6]C[5,6a]O[6]H)(C[5,6]C[6,6a]C[5]H)(O[5]C[5,6a])(C[5]O[5]CC){1|O<1>,4|C<3>}	O[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6,6a]C[6a,6a]C[6,6a]){1|O<2>,2|C<4>,5|C<3>}	111.6130	0.000	1	111.6130	0.000	1	111.6130	0.000	1	111.6130	0.000	1	112.4372	1.504	5	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,5,6]	O[6]	4:4:2:1:	4:4:3:1:	4:3:	C[5,5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:N[5,5]-3:H-1:	C[5,6]-4:C[6]-3:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5]C[5]HH)(O[6]C[6])(H)	C[5,5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]N[5]H)(N[5,5]C[5]2)(H)	O[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5,5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]N[5]H)(N[5,5]C[5]2)(H){1|C<3>,1|O<1>,7|H<1>}	O[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O){1|N<3>,2|C<4>,5|H<1>}	110.7320	0.000	1	110.7320	0.000	1	110.7320	0.000	1	110.7320	0.000	1	112.4372	1.504	5	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6,6]	O[6]	4:2:4:4:	4:4:4:1:	4:3:	C[5,6,6]-4:O[6]-2:C[5]-4:C-4:	C[6,6]-4:C[5,6]-4:C[5,6]-4: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[5,6,6](C[6,6]C[6,6a]O[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]O[6]C)(H)	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[5,6,6](C[6,6]C[6,6a]O[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]O[6]C)(H){2|C<3>,2|C<4>,5|H<1>}	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>}	112.8215	2.101	2	112.8215	4.413	2	112.8215	4.413	2	112.8215	4.413	2	113.6757	4.923	6	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6,6]	O[6]	4:4:2:1:	4:3:4:2:	4:3:	C[5,6,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:O[5]-2:	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])(H)	C[5,6,6](C[5,6]C[5]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(O[5]C[5])	O[6](C[5,6]C[5,6,6]C[5]H)(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])(H){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[5,6,6](C[5,6]C[5]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	O[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	114.5070	0.000	1	114.5070	0.000	1	114.5070	0.000	1	114.5070	0.000	1	113.6757	4.923	6	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6,6]	O[6]	4:4:2:1:	4:4:3:4:	4:3:	C[5,6,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-3:C-4:	C[5,6]-4:C[6]-3:	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(O[6]C[6])(H)	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]O[6]H)(C[6,6]C[6,6]O)(CH3)	O[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]O)	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(O[6]C[6])(H){2|H<1>,2|O<1>,3|C<4>}	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]O[6]H)(C[6,6]C[6,6]O)(CH3){1|C<3>,1|C<4>,7|H<1>}	O[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]O){1|C<3>,3|H<1>,4|C<4>}	115.6900	0.037	2	115.6900	0.001	2	115.6900	0.001	2	115.6900	0.001	2	113.6757	4.923	6	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6,6]	O[6]	4:4:2:4:	4:3:4:2:	4:3:	C[5,6,6]-4:C[5]-4:O[6]-2:C-4:	C[5,6]-4:C[6,6]-3:C[6]-4:O[5]-2:	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[5,6,6](C[5,6]C[5]O[6]C)(C[6,6]C[6]O[6])(C[6]C[6]HH)(O[5]C[5])	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[5,6,6](C[5,6]C[5]O[6]C)(C[6,6]C[6]O[6])(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	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>}	110.5240	0.000	1	110.5240	0.000	1	110.5240	0.000	1	110.5240	0.000	1	113.6757	4.923	6	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	3:4:2:1:	4:3:2:1:	4:3:	C[5,6a]-3:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-3:O[5]-2:Br-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]Br)(O[6]C[6,6a])(H)	C[5,6](C[5,6]C[5,6a]O[6]H)(C[6]C[6,6a]O)(O[5]C[5,6a])(Br)	O[6](C[5,6]C[5,6a]C[5,6]H)(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]Br)(O[6]C[6,6a])(H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]O[6]H)(C[6]C[6,6a]O)(O[5]C[5,6a])(Br){4|C<3>}	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a]){1|Br<1>,1|H<1>,1|O<2>,5|C<3>}	111.4940	0.000	1	111.4940	0.000	1	111.4940	0.000	1	111.4940	0.000	1	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	3:4:2:1:	4:4:4:1:	4:3:	C[5,6a]-3:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,6a]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(H)	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]C)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(O[6]C[6])(H){4|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(H){1|H<1>,5|C<3>}	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]C){2|C<3>,2|C<4>,2|H<1>}	112.5980	0.000	1	112.5980	0.000	1	112.5980	0.000	1	112.5980	0.000	1	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	3:4:2:1:	4:4:4:3:	4:3:	C[5,6a]-3:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:C-3:	C[5,6]-4:C[6]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,6a]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(COO)	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(O[6]C[6])(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6a]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(COO){1|C<4>,1|H<1>,5|C<3>}	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]O){1|H<1>,3|C<3>,3|C<4>}	114.7480	0.000	1	114.7480	0.000	1	114.7480	0.000	1	114.7480	0.000	1	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	3:4:2:1:	4:4:4:4:	4:3:	C[5,6a]-3:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,6a]O[6]H)(C[5]C[5,6a]HH)(C[6]N[6]HH)(CCHH)	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]N[6]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(O[6]C[6])(H){1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6a]O[6]H)(C[5]C[5,6a]HH)(C[6]N[6]HH)(CCHH){1|H<1>,3|C<3>}	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]N[6]O){1|H<1>,2|C<3>,3|C<4>}	112.5930	0.000	1	112.5930	0.000	1	112.5930	0.000	1	112.5930	0.000	1	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	3:4:2:2:	4:4:3:1:	4:3:	C[5,6a]-3:C[5,6]-4:O[6]-2:O-2:	C[5,6]-4:C[6]-4:C[5]-3: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[5]C[6]H)(O[6]C[6,6a])(OH)	C[5,6](C[5,6]C[5,6a]O[6]O)(C[6]C[6,6a]C[6a]H)(C[5]C[5,6a]O)(H)	O[6](C[5,6]C[5,6a]C[5,6]O)(C[6,6a]C[6,6a]C[6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(O[6]C[6,6a])(OH){1|O<1>,2|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]O[6]O)(C[6]C[6,6a]C[6a]H)(C[5]C[5,6a]O)(H){6|C<3>}	O[6](C[5,6]C[5,6a]C[5,6]O)(C[6,6a]C[6,6a]C[6a]){1|C<4>,2|H<1>,5|C<3>}	113.9970	0.339	2	113.9970	0.115	2	113.9970	0.115	2	113.9970	0.115	2	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	3:4:2:4:	4:4:2:1:	4:3:	C[5,6a]-3:C[5,6]-4:O[6]-2:C-4:	C[5,6]-4:C[6]-4:O[5]-2: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[5,6](C[5,6]C[5,6a]O[6]C)(C[6]C[6,6a]CH)(O[5]C[5,6a])(H)	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[5,6](C[5,6]C[5,6a]O[6]C)(C[6]C[6,6a]CH)(O[5]C[5,6a])(H){4|C<3>}	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>}	112.8127	0.521	4	112.8127	0.272	4	112.8127	0.272	4	112.8127	0.272	4	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	3:4:3:2:	4:4:2:1:	4:3:	N[5,5a]-3:C[5,6]-4:C[6a]-3:O[6]-2:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6]-4:C[6]-3:	C[5,6](N[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[6]S[5]H)(C[6a]C[6a]2)(O[6]C[6])	C[5,6](C[5,6]N[5,5a]C[6a]O[6])(C[6]C[6a]C[6]H)(S[5]C[5,5a])(H)	O[6](C[5,6]N[5,5a]C[5,6]C[6a])(C[6]C[6]N)	C[5,6](N[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[6]S[5]H)(C[6a]C[6a]2)(O[6]C[6]){1|N<2>,1|N<3>,3|H<1>,6|C<3>}	C[5,6](C[5,6]N[5,5a]C[6a]O[6])(C[6]C[6a]C[6]H)(S[5]C[5,5a])(H){1|C<2>,1|N<2>,6|C<3>}	O[6](C[5,6]N[5,5a]C[5,6]C[6a])(C[6]C[6]N){1|C<2>,1|C<4>,1|H<1>,1|S<2>,4|C<3>}	113.9215	0.986	2	113.9215	0.973	2	113.9215	0.973	2	113.9215	0.973	2	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:2:2:1:	4:3:2:2:	3:4:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[5,6]-4:C[6a]-3:O[6]-2:N[5]-2:	C[6,6a]-3:C[5,6]-4:	C[5,6](C[5,6]C[6a]N[5]O[6])(O[6]C[6,6a])(O[5]C[5])(H)	C[5,6](C[5,6]O[5]O[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(N[5]C[5])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]O[5]H)	C[5,6](C[5,6]C[6a]N[5]O[6])(O[6]C[6,6a])(O[5]C[5])(H){1|C<4>,4|C<3>}	C[5,6](C[5,6]O[5]O[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(N[5]C[5]){1|C<4>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]O[5]H){1|N<2>,1|O<2>,5|C<3>}	116.7570	0.000	1	116.7570	0.000	1	116.7570	0.000	1	115.3300	4.073	2	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:2:2:1:	4:3:2:2:	3:4:	C[5,6]-4:O[6]-2:S[5]-2:H-1:	C[5,6]-4:C[6a]-3:O[6]-2:N[5]-2:	C[6,6a]-3:C[5,6]-4:	C[5,6](C[5,6]C[6a]N[5]O[6])(O[6]C[6,6a])(S[5]C[5])(H)	C[5,6](C[5,6]O[6]S[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])(N[5]C[5])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]S[5]H)	C[5,6](C[5,6]C[6a]N[5]O[6])(O[6]C[6,6a])(S[5]C[5])(H){1|C<4>,4|C<3>}	C[5,6](C[5,6]O[6]S[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])(N[5]C[5]){1|C<4>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]S[5]H){1|N<2>,1|O<2>,5|C<3>}	113.9030	0.000	1	113.9030	0.000	1	113.9030	0.000	1	115.3300	4.073	2	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:2:2:1:	4:4:1:1:	3:4:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4: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[5,5])(H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]O[5]O[6]H)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)	C[5,6](C[5,6]C[5,6]HH)(O[6]C[6,6a])(O[5]C[5,5])(H){1|H<1>,4|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]O[5]O[6]H)(H)2{4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H){2|C<3>,2|C<4>,3|H<1>}	111.5550	0.000	1	111.5550	0.000	1	111.5550	0.000	1	111.5550	0.000	1	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:2:2:1:	4:4:2:1:	4:3:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(O[5]C[5])(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C)	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(O[5]C[5])(H){1|C<3>,1|O<2>,3|C<4>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C){1|H<1>,2|C<4>,2|O<2>}	114.8910	0.000	1	114.8910	0.000	1	114.8910	0.000	1	114.8910	0.000	1	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:2:2:1:	4:4:3:2:	3:4:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-2:	C[6,6a]-3:C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(O[6]C[6,6a])(O[5]C[5])(H)	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[6a]C[5]C)(C[6]C[6,6a]O)(CN)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)	C[5,6](C[5,6]C[5]C[6]C)(O[6]C[6,6a])(O[5]C[5])(H){1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[6a]C[5]C)(C[6]C[6,6a]O)(CN){2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H){1|C<2>,1|H<1>,2|C<4>,3|C<3>}	111.8060	1.134	2	111.8060	1.286	2	111.8060	1.286	2	111.8060	1.286	2	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:2:2:1:	4:4:3:3:	4:3:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	C[5,6]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6]C)(O[5]C[5])(O[6]C[6])(H)	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[5]CH)(C[6]C[6]H)(COO)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)	C[5,6](C[5,6]C[5]C[6]C)(O[5]C[5])(O[6]C[6])(H){1|O<1>,2|C<3>,4|H<1>}	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[5]CH)(C[6]C[6]H)(COO){1|C<3>,3|H<1>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O){1|H<1>,2|C<3>,2|C<4>}	115.7070	0.074	2	115.7070	0.005	2	115.7070	0.005	2	115.7070	0.005	2	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:2:2:1:	4:4:4:1:	3:4:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4: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])(H)	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6,6a]HH)(C[5]C[5]CH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6,6a]HH)(C[5]C[5]CH)(H){1|O<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H){2|C<4>,2|H<1>,3|C<3>}	118.6360	0.000	1	118.6360	0.000	1	114.3688	9.105	4	114.2330	6.921	5	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:2:2:1:	4:4:4:1:	3:4:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4: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])(H)	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(O[5]C[5])(H){2|C<3>,6|H<1>}	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H){2|C<3>,2|H<1>,3|C<4>}	112.3380	0.000	1	112.3380	0.000	1	114.3688	9.105	4	114.2330	6.921	5	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:2:2:1:	4:4:4:1:	3:4:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4: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])(H)	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]O[5]H)	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(O[5]C[5])(H){2|C<3>,6|H<1>}	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){2|C<3>,2|H<1>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]O[5]H){1|H<1>,3|C<3>,3|C<4>}	112.1370	0.000	1	112.1370	0.000	1	114.3688	9.105	4	114.2330	6.921	5	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:2:2:1:	4:4:4:1:	3:4:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4: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])(H)	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6,6a]HN)(C[5]C[5]HH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(O[5]C[5])(H){1|N<3>,2|C<3>,5|H<1>}	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6,6a]HN)(C[5]C[5]HH)(H){2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H){2|C<3>,2|H<1>,3|C<4>}	114.3640	0.000	1	114.3640	0.000	1	114.3688	9.105	4	114.2330	6.921	5	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:2:2:1:	4:4:4:1:	3:4:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-3:C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[5,6])(O[5]C[5])(H)	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]O[5]O[6]H)(C[5]C[5]HH)(H)	O[6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]O[5]H)	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[5,6])(O[5]C[5])(H){4|C<3>,4|H<1>}	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]O[5]O[6]H)(C[5]C[5]HH)(H){1|H<1>,5|C<3>}	O[6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]O[5]H){1|H<1>,3|C<3>,3|C<4>}	113.6900	0.000	1	113.6900	0.000	1	113.6900	0.000	1	114.2330	6.921	5	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:2:2:1:	4:4:4:1:	4:3:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H)	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]HH)(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H){3|C<3>,5|H<1>}	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]HH)(H){3|C<3>,3|H<1>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C){2|H<1>,3|C<4>}	112.5170	0.000	1	112.5170	0.000	1	112.5170	0.000	1	112.6128	0.085	4	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:2:2:1:	4:4:4:1:	4:3:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-3:	C[5,6](C[5,6]C[6,6]C[5]H)(O[5]C[5])(O[6]C[6])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]O[5]O[6]H)(C[5]C[5]HH)(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]H)	C[5,6](C[5,6]C[6,6]C[5]H)(O[5]C[5])(O[6]C[6])(H){1|C<3>,1|C<4>,6|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]O[5]O[6]H)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,3|H<1>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]H){1|C<3>,1|H<1>,3|C<4>}	112.5125	0.373	2	112.5125	0.139	2	112.5125	0.139	2	112.6128	0.085	4	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:2:2:1:	4:4:4:1:	4:3:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-3:	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[5,6])(O[5]C[5])(H)	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]O[5]O[6]H)(C[5]C[5]HH)(H)	O[6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5,6]C[5])	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[5,6])(O[5]C[5])(H){4|C<3>,4|H<1>}	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]O[5]O[6]H)(C[5]C[5]HH)(H){1|C<4>,1|H<1>,4|C<3>}	O[6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5,6]C[5]){1|H<1>,1|N<3>,1|O<1>,4|C<4>}	112.9090	0.000	1	112.9090	0.000	1	112.9090	0.000	1	112.6128	0.085	4	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:2:2:1:	4:4:4:2:	3:4:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-2:	C[6,6a]-3:C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(O[6]C[6,6a])(O[5]C[5])(H)	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[6a]C[5]C)(C[6]C[6,6a]HO)(CN)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)	C[5,6](C[5,6]C[5]C[6]C)(O[6]C[6,6a])(O[5]C[5])(H){1|O<2>,3|H<1>,4|C<3>}	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[6a]C[5]C)(C[6]C[6,6a]HO)(CN){2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H){1|C<2>,1|H<1>,2|C<3>,3|C<4>}	117.1860	0.000	1	117.1860	0.000	1	117.1860	0.000	1	117.1860	0.000	1	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:2:2:2:	4:2:2:2:	3:4:	C[5,6]-4:O[6]-2:S[5]-2:S[5]-2:	C[5,6]-4:O[6]-2:S[5]-2:S[5]-2:	C[6,6a]-3:C[5,6]-4:	C[5,6](C[5,6]O[6]S[5]2)(O[6]C[6,6a])(S[5]C[5])2	C[5,6](C[5,6]O[6]S[5]2)(O[6]C[6,6a])(S[5]C[5])2	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]S[5]2)	C[5,6](C[5,6]O[6]S[5]2)(O[6]C[6,6a])(S[5]C[5])2{2|H<1>,4|C<3>}	C[5,6](C[5,6]O[6]S[5]2)(O[6]C[6,6a])(S[5]C[5])2{2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]S[5]2){1|Cl<1>,1|O<2>,2|S<2>,4|C<3>}	108.0610	0.632	8	108.0610	0.399	8	108.0610	0.399	8	108.0610	0.399	8	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:2:2:3:	4:4:3:1:	3:4:	C[5,6]-4:O[6]-2:O[5]-2:C-3:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C[6,6a]-3:C[5,6]-4:	C[5,6](C[5,6]C[5,6]CH)(O[6]C[6,6a])(O[5]N[5])(COO)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]O[5]O[6]C)(COO)(H)	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]CH)(O[6]C[6,6a])(O[5]N[5])(COO){1|C<4>,1|H<1>,2|C<3>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]O[5]O[6]C)(COO)(H){1|C<4>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	110.3090	0.000	1	110.3090	0.000	1	110.3090	0.000	1	110.3090	0.000	1	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:2:2:4:	4:4:1:1:	3:4:	C[5,6]-4:O[6]-2:O[5]-2:C-4:	C[5,6]-4:C[5,6]-4: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[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]O[5]O[6]C)(H)2	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[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]O[5]O[6]C)(H)2{2|C<3>,2|H<1>}	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>}	109.8980	0.554	2	109.9630	0.166	3	109.9630	0.166	3	109.9630	0.166	3	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:2:2:4:	4:4:1:1:	3:4:	C[5,6]-4:O[6]-2:O[5]-2:C-4:	C[5,6]-4:C[5,6]-4: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[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]O[5]O[6]C)(H)2	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[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]O[5]O[6]C)(H)2{2|C<3>,2|H<1>}	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>}	110.0930	0.000	1	109.9630	0.166	3	109.9630	0.166	3	109.9630	0.166	3	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:2:2:4:	4:4:2:3:	3:4:	C[5,6]-4:O[6]-2:O[5]-2:C-4:	C[6]-4:C[5,6]-4:N[5]-2:C-3:	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[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]O[5]O[6]C)(N[5]C[5])(COO)	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[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]O[5]O[6]C)(N[5]C[5])(COO){1|H<1>,4|C<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>}	112.7600	0.000	1	112.7600	0.000	1	112.7600	0.000	1	112.7600	0.000	1	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:2:2:4:	4:4:4:1:	3:4:	C[5,6]-4:O[6]-2:O[5]-2:C-4:	C[5,6]-4:C[6]-4:C[5]-4: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[5,6](C[5,6]O[5]O[6]C)(C[6]C[6,6a]HH)(C[5]C[5]CH)(H)	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[5,6](C[5,6]O[5]O[6]C)(C[6]C[6,6a]HH)(C[5]C[5]CH)(H){2|C<3>,2|H<1>}	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>}	110.8890	0.000	1	110.8560	0.002	2	110.8560	0.002	2	110.8560	0.002	2	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:2:2:4:	4:4:4:1:	3:4:	C[5,6]-4:O[6]-2:O[5]-2:C-4:	C[5,6]-4:C[6]-4:C[5]-4: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[5,6](C[5,6]O[5]O[6]C)(C[6]C[6,6a]HH)(C[5]C[5]CH)(H)	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[5,6](C[5,6]O[5]O[6]C)(C[6]C[6,6a]HH)(C[5]C[5]CH)(H){2|C<3>,2|H<1>}	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>}	110.8230	0.000	1	110.8560	0.002	2	110.8560	0.002	2	110.8560	0.002	2	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:2:3:1:	4:4:2:4:	3:4:	C[5,6]-4:O[6]-2:C[5]-3:H-1:	C[6]-4:C[5,6]-4:O[5]-2:C-4:	C[6,6a]-3:C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(O[6]C[6,6a])(C[5]C[5]H)(H)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]O[6]H)(O[5]C[5])(CH3)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)	C[5,6](C[5,6]C[6]O[5]C)(O[6]C[6,6a])(C[5]C[5]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]O[6]H)(O[5]C[5])(CH3){1|C<4>,1|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	115.0080	0.000	1	115.0080	0.000	1	115.0080	0.000	1	115.0080	0.000	1	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:2:3:1:	4:4:3:1:	3:4:	C[5,6]-4:O[6]-2:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3: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]H)(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]HH)(C[5]C[5]C)(H)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(C[5]C[5]H)(H){3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]HH)(C[5]C[5]C)(H){2|C<3>,2|H<1>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H){1|C<4>,2|H<1>,5|C<3>}	115.4070	0.000	1	115.4070	0.000	1	115.4070	0.000	1	115.1328	0.279	4	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:2:3:1:	4:4:3:1:	3:4:	C[5,6]-4:O[6]-2:C[5]-3:H-1:	C[6]-4:C[5,6]-4:C[5]-3: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]H)(H)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]O[6]H)(C[5]C[5]C)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(C[5]C[5]H)(H){2|H<1>,4|C<3>}	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]O[6]H)(C[5]C[5]C)(H){2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H){1|C<4>,3|H<1>,4|C<3>}	115.0413	0.607	3	115.0413	0.369	3	115.0413	0.369	3	115.1328	0.279	4	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:2:3:1:	4:4:4:1:	3:4:	C[5,6]-4:O[6]-2:N[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4: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])(N[5]C[5]C)(H)	C[5,6](C[5,6]N[5]O[6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(N[5]C[5]C)(H){1|O<2>,2|C<3>,5|H<1>}	C[5,6](C[5,6]N[5]O[6]H)(C[6]C[6,6a]HO)(C[5]C[5]HH)(H){2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H){2|H<1>,3|C<3>,3|C<4>}	112.2045	0.107	2	112.2045	0.011	2	112.2045	0.011	2	111.7237	0.376	4	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:2:3:1:	4:4:4:1:	3:4:	C[5,6]-4:O[6]-2:N[5]-3:H-1:	C[6]-4:C[5,6]-4:C[5]-4: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])(N[5]C[5]C)(H)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]N[5]O[6]H)(C[5]C[5]HH)(H)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]N[5]H)	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(N[5]C[5]C)(H){3|C<3>,5|H<1>}	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]N[5]O[6]H)(C[5]C[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]N[5]H){1|H<1>,3|C<3>,4|C<4>}	111.2430	0.437	2	111.2430	0.191	2	111.2430	0.191	2	111.7237	0.376	4	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:2:3:2:	4:4:3:4:	3:4:	C[5,6]-4:O[6]-2:C[5]-3:O-2:	C[6]-4:C[5,6]-4:C[5]-3:C-4:	C[6,6a]-3:C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(O[6]C[6,6a])(C[5]N[5]O)(OH)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]O[6]O)(C[5]N[5]O)(CCHH)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)	C[5,6](C[5,6]C[5]C[6]C)(O[6]C[6,6a])(C[5]N[5]O)(OH){1|H<1>,1|O<1>,4|C<3>}	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]O[6]O)(C[5]N[5]O)(CCHH){1|O<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O){1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	114.4970	0.000	1	114.4970	0.000	1	114.4970	0.000	1	114.4970	0.000	1	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:2:3:4:	4:3:3:2:	3:4:	C[5,6]-4:O[6]-2:C[5]-3:C-4:	C[5,6]-4:C[6]-3:C[5]-3:O-2:	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[5,6](C[5,6]C[5]O[6]C)(C[6]C[6,6a]O)(C[5]C[5]O)(OH)	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[5,6](C[5,6]C[5]O[6]C)(C[6]C[6,6a]O)(C[5]C[5]O)(OH){1|C<4>,1|H<1>,2|C<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>}	113.7320	0.000	1	113.7320	0.000	1	113.7320	0.000	1	113.7320	0.000	1	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:2:4:1:	4:2:4:1:	3:4:	C[5,6]-4:O[6]-2:C[5]-4:H-1:	C[5,6]-4:O[6]-2:C[5]-4:H-1:	C[5a,6]-3:C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(O[6]C[5a,6])(C[5]O[5]HH)(H)	C[5,6](C[5,6]C[5]O[6]H)(O[6]C[5a,6])(C[5]O[5]HH)(H)	O[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)	C[5,6](C[5,6]C[5]O[6]H)(O[6]C[5a,6])(C[5]O[5]HH)(H){2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(O[6]C[5a,6])(C[5]O[5]HH)(H){2|C<3>,2|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5]H){1|Br<1>,1|C<3>,1|C<4>,1|S<2>,2|O<2>,3|H<1>}	113.7125	3.410	2	113.7125	11.631	2	112.6022	7.993	4	112.6022	7.993	4	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:2:4:1:	4:2:4:1:	3:4:	C[5,6]-4:O[6]-2:C[5]-4:H-1:	C[5,6]-4:O[6]-2:C[5]-4:H-1:	C[5a,6]-3:C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(O[6]C[5a,6])(C[5]S[5]HH)(H)	C[5,6](C[5,6]C[5]O[6]H)(O[6]C[5a,6])(C[5]S[5]HH)(H)	O[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)	C[5,6](C[5,6]C[5]O[6]H)(O[6]C[5a,6])(C[5]S[5]HH)(H){2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(O[6]C[5a,6])(C[5]S[5]HH)(H){2|C<3>,2|H<1>}	O[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5]H){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|S<2>,3|H<1>}	111.4920	2.724	2	111.4920	7.419	2	112.6022	7.993	4	112.6022	7.993	4	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:2:4:1:	4:3:4:1:	3:4:	C[5,6]-4:O[6]-2:C[5]-4:H-1:	C[5,6]-4:C[6]-3:C[5]-4: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)(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]O)(C[5]C[5]HO)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]O)(C[5]C[5]HO)(H){2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H){1|Br<1>,2|C<4>,3|C<3>,3|H<1>}	111.1925	1.154	6	111.3417	1.265	7	112.2073	7.078	8	112.1094	6.279	9	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:2:4:1:	4:3:4:1:	3:4:	C[5,6]-4:O[6]-2:C[5]-4:H-1:	C[5,6]-4:C[6]-3:C[5]-4: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)(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]O)(C[5]C[5]HO)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]O)(C[5]C[5]HO)(H){2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H){2|C<4>,3|C<3>,4|H<1>}	112.2370	0.000	1	111.3417	1.265	7	112.2073	7.078	8	112.1094	6.279	9	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:2:4:1:	4:3:4:1:	3:4:	C[5,6]-4:O[6]-2:C[5]-4:H-1:	C[5,6]-4:C[6]-3:C[5]-4: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]O[5]CC)(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]O)(C[5]O[5]CH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(C[5]O[5]CC)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]O)(C[5]O[5]CH)(H){4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	118.2660	0.000	1	118.2660	0.000	1	112.2073	7.078	8	112.1094	6.279	9	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:2:4:1:	4:3:4:1:	3:4:	C[5,6]-4:O[6]-2:C[5]-4:H-1:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]H)(O[6]C[6,6a])(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]O[6]H)(N[6]C[6,6a]S)(C[5]C[5]HH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)	C[5,6](C[5,6]C[5]N[6]H)(O[6]C[6,6a])(C[5]C[5]HH)(H){1|S<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(N[6]C[6,6a]S)(C[5]C[5]HH)(H){2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	111.3270	0.000	1	111.3270	0.000	1	111.3270	0.000	1	112.1094	6.279	9	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:2:4:1:	4:4:1:1:	3:4:	C[5,6]-4:O[6]-2:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4: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])(C[5]N[5]CH)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]C[5]O[6]H)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)	C[5,6](C[5,6]C[5,6]HH)(O[6]C[6,6a])(C[5]N[5]CH)(H){1|H<1>,1|S<4>,2|C<3>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]C[5]O[6]H)(H)2{1|C<4>,1|H<1>,1|S<4>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	111.7450	0.000	1	111.7450	0.000	1	111.7450	0.000	1	111.7450	0.000	1	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:2:4:1:	4:4:3:1:	3:4:	C[5,6]-4:O[6]-2:C[5]-4:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]H)(O[6]C[6,6a])(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[6a]C[5]H)(N[6]C[6,6a]H)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)	C[5,6](C[5,6]C[5]N[6]H)(O[6]C[6,6a])(C[5]C[5]HH)(H){1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[6a]C[5]H)(N[6]C[6,6a]H)(H){1|O<1>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	110.5360	0.000	1	110.5360	0.000	1	110.5360	0.000	1	110.5360	0.000	1	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:2:4:2:	4:4:3:1:	4:3:	C[5,6]-4:O[6]-2:C[5]-4:O[5]-2:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:	C[5,6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(C[5]C[5]HH)(O[5]C[5])	C[5,6](C[5,6]C[5]O[5]O[6])(C[5,6]C[6,6a]C[5]H)(C[5]C[5]O)(H)	O[6](C[5,6]C[5,6]C[5]O[5])(C[6,6a]C[6,6a]C[6a])	C[5,6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(C[5]C[5]HH)(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]O[5]O[6])(C[5,6]C[6,6a]C[5]H)(C[5]C[5]O)(H){2|C<3>,2|C<4>,6|H<1>}	O[6](C[5,6]C[5,6]C[5]O[5])(C[6,6a]C[6,6a]C[6a]){3|C<3>,3|C<4>,4|H<1>}	111.0030	0.000	1	110.8690	0.036	2	110.7133	0.091	3	110.7133	0.091	3	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:2:4:2:	4:4:3:1:	4:3:	C[5,6]-4:O[6]-2:C[5]-4:O[5]-2:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:	C[5,6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(C[5]C[5]HH)(O[5]C[5])	C[5,6](C[5,6]C[5]O[5]O[6])(C[5,6]C[6,6a]C[5]H)(C[5]C[5]O)(H)	O[6](C[5,6]C[5,6]C[5]O[5])(C[6,6a]C[6,6a]C[6a])	C[5,6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(C[5]C[5]HH)(O[5]C[5]){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]O[5]O[6])(C[5,6]C[6,6a]C[5]H)(C[5]C[5]O)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	O[6](C[5,6]C[5,6]C[5]O[5])(C[6,6a]C[6,6a]C[6a]){3|C<3>,3|C<4>,4|H<1>}	110.7350	0.000	1	110.8690	0.036	2	110.7133	0.091	3	110.7133	0.091	3	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:2:4:2:	4:4:3:1:	4:3:	C[5,6]-4:O[6]-2:C[5]-4:O[5]-2:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:	C[5,6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(C[5]C[5]HH)(O[5]C[5])	C[5,6](C[5,6]C[5]O[5]O[6])(C[5,6]C[6,6a]C[5]H)(C[5]O[5]O)(H)	O[6](C[5,6]C[5,6]C[5]O[5])(C[6,6a]C[6,6a]C[6a])	C[5,6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(C[5]C[5]HH)(O[5]C[5]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[5,6](C[5,6]C[5]O[5]O[6])(C[5,6]C[6,6a]C[5]H)(C[5]O[5]O)(H){2|C<3>,2|C<4>,4|H<1>}	O[6](C[5,6]C[5,6]C[5]O[5])(C[6,6a]C[6,6a]C[6a]){3|C<3>,3|C<4>,4|H<1>}	110.4020	0.000	1	110.4020	0.000	1	110.7133	0.091	3	110.7133	0.091	3	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:2:4:3:	4:3:4:3:	3:4:	C[5,6]-4:O[6]-2:C[5]-4:N-3:	C[5,6]-4:N[6]-3:C[5]-4:C-3:	C[6,6a]-3:C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]C)(O[6]C[6,6a])(C[5]C[5]HH)(NC[6a]H)	C[5,6](C[5,6]C[5]O[6]N)(N[6]C[6,6a]H)(C[5]C[5]HH)(COO)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]N)	C[5,6](C[5,6]C[5]N[6]C)(O[6]C[6,6a])(C[5]C[5]HH)(NC[6a]H){2|C<3>,5|H<1>}	C[5,6](C[5,6]C[5]O[6]N)(N[6]C[6,6a]H)(C[5]C[5]HH)(COO){2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]N){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	107.7540	0.000	1	107.7540	0.000	1	107.7540	0.000	1	107.7540	0.000	1	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:2:4:4:	4:3:4:1:	3:4:	C[5,6]-4:O[6]-2:C[5]-4:C-4:	C[5,6]-4:C[6]-3:C[5]-4: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[5,6](C[5,6]C[5]O[6]C)(C[6]C[6,6a]O)(C[5]C[5]CH)(H)	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[5,6](C[5,6]C[5]O[6]C)(C[6]C[6,6a]O)(C[5]C[5]CH)(H){2|C<3>,4|H<1>}	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>}	109.6475	0.156	2	109.6475	0.024	2	109.6475	0.024	2	109.6475	0.024	2	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:2:4:4:	4:4:4:1:	3:4:	C[5,6]-4:O[6]-2:C[5]-4:C-4:	C[5,6]-4:C[6]-4:C[5]-4: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[5,6](C[5,6]C[5]O[6]C)(C[6]C[6,6a]HH)(C[5]C[5]CH)(H)	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[5,6](C[5,6]C[5]O[6]C)(C[6]C[6,6a]HH)(C[5]C[5]CH)(H){2|C<3>,4|H<1>}	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>}	113.3830	0.000	1	113.3830	0.000	1	113.3830	0.000	1	113.3830	0.000	1	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:3:2:1:	3:4:4:1:	4:3:	C[5,6]-4:N[5]-3:O[6]-2:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:Cl-1:	C[5,6]-4:C[6]-3:	C[5,6](C[5,6]C[5,6a]C[6]Cl)(N[5]C[5,6a]S)(O[6]C[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]O[6]H)(C[6]N[6]HH)(Cl)	O[6](C[5,6]C[5,6]N[5]H)(C[6]C[6a]N[6])	C[5,6](C[5,6]C[5,6a]C[6]Cl)(N[5]C[5,6a]S)(O[6]C[6])(H){1|N<2>,2|H<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]O[6]H)(C[6]N[6]HH)(Cl){1|H<1>,1|S<4>,3|C<3>}	O[6](C[5,6]C[5,6]N[5]H)(C[6]C[6a]N[6]){1|Cl<1>,1|C<4>,1|S<4>,4|C<3>}	112.2315	1.001	2	112.2315	1.001	2	112.2315	1.001	2	112.2315	1.001	2	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:3:2:1:	3:4:4:4:	4:2:	C[5,6]-4:N[5]-3:O[6]-2:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:N[6]-2:	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(O[6]N[6])(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)	O[6](C[5,6]C[5,6]N[5]H)(N[6]C[6])	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(O[6]N[6])(H){2|H<1>,3|C<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){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	O[6](C[5,6]C[5,6]N[5]H)(N[6]C[6]){3|C<3>,3|C<4>}	113.0895	0.581	2	113.0895	0.337	2	113.2287	0.227	3	113.2287	0.227	3	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:3:2:1:	3:4:4:4:	4:2:	C[5,6]-4:N[5]-3:O[6]-2:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:N[6]-2:	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(O[6]N[6])(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)	O[6](C[5,6]C[5,6]N[5]H)(N[6]C[6])	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(O[6]N[6])(H){2|H<1>,3|C<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){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	O[6](C[5,6]C[5,6]N[5]H)(N[6]C[6]){3|C<3>,3|C<4>}	113.5070	0.000	1	113.5070	0.000	1	113.2287	0.227	3	113.2287	0.227	3	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:3:2:2:	4:2:2:1:	3:4:	C[5,6]-4:C[6a]-3:O[6]-2:N[5]-2:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:	C[5,6](C[5,6]O[5]O[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(N[5]C[5])	C[5,6](C[5,6]C[6a]N[5]O[6])(O[6]C[6,6a])(O[5]C[5])(H)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[6a]N[5])	C[5,6](C[5,6]O[5]O[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(N[5]C[5]){1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[6a]N[5]O[6])(O[6]C[6,6a])(O[5]C[5])(H){1|C<4>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[6a]N[5]){1|H<1>,2|O<2>,6|C<3>}	113.0300	0.000	1	113.0300	0.000	1	113.0300	0.000	1	111.9610	2.286	2	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:3:2:2:	4:2:2:1:	3:4:	C[5,6]-4:C[6a]-3:O[6]-2:N[5]-2:	C[5,6]-4:O[6]-2:S[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:	C[5,6](C[5,6]O[6]S[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])(N[5]C[5])	C[5,6](C[5,6]C[6a]N[5]O[6])(O[6]C[6,6a])(S[5]C[5])(H)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[6a]N[5])	C[5,6](C[5,6]O[6]S[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])(N[5]C[5]){1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[6a]N[5]O[6])(O[6]C[6,6a])(S[5]C[5])(H){1|C<4>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[6a]N[5]){1|H<1>,1|O<2>,1|S<2>,6|C<3>}	110.8920	0.000	1	110.8920	0.000	1	110.8920	0.000	1	111.9610	2.286	2	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:3:2:2:	4:4:1:1:	4:3:	C[5,6]-4:C[6a]-3:O[6]-2:O[5]-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:	C[5,6](C[5,6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])(O[5]C[5,5])	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[6a]O[5]O[6])(H)2	O[6](C[5,6]C[5,6]C[6a]O[5])(C[6,6a]C[6,6a]C[6a])	C[5,6](C[5,6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])(O[5]C[5,5]){3|H<1>,6|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[6a]O[5]O[6])(H)2{6|C<3>}	O[6](C[5,6]C[5,6]C[6a]O[5])(C[6,6a]C[6,6a]C[6a]){2|C<4>,3|H<1>,4|C<3>}	109.5090	0.000	1	109.5090	0.000	1	109.8625	0.250	2	109.8625	0.250	2	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:3:2:2:	4:4:1:1:	4:3:	C[5,6]-4:C[6a]-3:O[6]-2:O[5]-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:	C[5,6](C[5,6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])(O[5]C[5])	C[5,6](C[5,6]C[6a]O[5]O[6])(C[5,6]C[6,6a]C[5]H)(H)2	O[6](C[5,6]C[5,6]C[6a]O[5])(C[6,6a]C[6,6a]C[6a])	C[5,6](C[5,6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])(O[5]C[5]){4|H<1>,5|C<3>}	C[5,6](C[5,6]C[6a]O[5]O[6])(C[5,6]C[6,6a]C[5]H)(H)2{1|H<1>,5|C<3>}	O[6](C[5,6]C[5,6]C[6a]O[5])(C[6,6a]C[6,6a]C[6a]){2|C<4>,3|H<1>,4|C<3>}	110.2160	0.000	1	110.2160	0.000	1	109.8625	0.250	2	109.8625	0.250	2	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:3:2:2:	4:4:4:1:	4:3:	C[5,6]-4:C[6a]-3:O[6]-2:O[5]-2:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6a]-3:	C[5,6](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(O[5]C[5,6])	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[6a]O[5]O[6])(C[6]C[6,6a]CH)(H)	O[6](C[5,6]C[5,6]C[6a]O[5])(C[6,6a]C[6,6a]C[6a])	C[5,6](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(O[5]C[5,6]){1|C<4>,5|H<1>,6|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[6a]O[5]O[6])(C[6]C[6,6a]CH)(H){1|C<4>,1|H<1>,6|C<3>}	O[6](C[5,6]C[5,6]C[6a]O[5])(C[6,6a]C[6,6a]C[6a]){2|H<1>,3|C<4>,4|C<3>}	112.9905	1.624	2	112.7924	0.977	5	112.7924	0.977	5	112.7924	0.977	5	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:3:2:2:	4:4:4:1:	4:3:	C[5,6]-4:C[6a]-3:O[6]-2:O[5]-2:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6a]-3:	C[5,6](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(O[5]C[5,6])	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[6a]O[5]O[6])(C[6]C[6,6a]CH)(H)	O[6](C[5,6]C[5,6]C[6a]O[5])(C[6,6a]C[6,6a]C[6a])	C[5,6](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(O[5]C[5,6]){2|C<4>,5|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[6a]O[5]O[6])(C[6]C[6,6a]CH)(H){1|C<4>,1|H<1>,6|C<3>}	O[6](C[5,6]C[5,6]C[6a]O[5])(C[6,6a]C[6,6a]C[6a]){2|H<1>,3|C<4>,4|C<3>}	112.6603	0.754	3	112.7924	0.977	5	112.7924	0.977	5	112.7924	0.977	5	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:3:2:3:	4:3:2:3:	3:4:	C[5,6]-4:C[5,6]-3:O[6]-2:C[5]-3:	C[5,6]-4:C[5,6]-3:O[6]-2:C[5]-3:	C[6,6a]-3:C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]O[6])(C[5,6]C[6]N[5])(O[6]C[6,6a])(C[5]C[5]O)	C[5,6](C[5,6]C[5,6]C[5]O[6])(C[5,6]C[6]N[5])(O[6]C[6,6a])(C[5]C[5]O)	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2C[5])	C[5,6](C[5,6]C[5,6]C[5]O[6])(C[5,6]C[6]N[5])(O[6]C[6,6a])(C[5]C[5]O){1|N<2>,1|O<1>,7|C<3>}	C[5,6](C[5,6]C[5,6]C[5]O[6])(C[5,6]C[6]N[5])(O[6]C[6,6a])(C[5]C[5]O){1|N<2>,1|O<1>,7|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2C[5]){1|F<1>,1|N<2>,1|O<1>,1|O<2>,6|C<3>}	110.7510	0.000	1	110.7510	0.000	1	110.7510	0.000	1	110.7510	0.000	1	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:3:2:3:	4:3:3:2:	4:3:	C[5,6]-4:C[6a]-3:O[6]-2:C[5]-3:	C[5,6]-4:C[5]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:	C[5,6](C[5,6]C[6a]C[5]O[6])(C[6a]C[6a]2)(O[6]C[6,6a])(C[5]C[5]O)	C[5,6](C[5,6]C[6a]C[5]O[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)(O[6]C[6,6a])	O[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])	C[5,6](C[5,6]C[6a]C[5]O[6])(C[6a]C[6a]2)(O[6]C[6,6a])(C[5]C[5]O){2|H<1>,8|C<3>}	C[5,6](C[5,6]C[6a]C[5]O[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)(O[6]C[6,6a]){1|O<1>,2|H<1>,9|C<3>}	O[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|O<1>,1|O<2>,7|C<3>}	110.9700	0.000	1	110.9700	0.000	1	110.9700	0.000	1	110.9700	0.000	1	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:3:2:4:	4:4:1:1:	4:3:	C[5,6]-4:C[6a]-3:O[6]-2:C[5]-4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:	C[5,6](C[5,6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])(C[5]O[5]HH)	C[5,6](C[5,6]C[6a]C[5]O[6])(C[5,6]C[6,6a]O[5]H)(H)2	O[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])	C[5,6](C[5,6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])(C[5]O[5]HH){3|H<1>,4|C<3>}	C[5,6](C[5,6]C[6a]C[5]O[6])(C[5,6]C[6,6a]O[5]H)(H)2{2|H<1>,4|C<3>}	O[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	108.8760	0.000	1	108.8760	0.000	1	108.8760	0.000	1	108.8760	0.000	1	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:3:3:2:	4:3:2:3:	4:3:	C[5,6]-4:C[5]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6a]-3:O[6]-2:C[5]-3:	C[5,6]-4:C[6,6a]-3:	C[5,6](C[5,6]C[6a]C[5]O[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)(O[6]C[6,6a])	C[5,6](C[5,6]C[6a]C[5]O[6])(C[6a]C[6a]2)(O[6]C[6,6a])(C[5]C[5]O)	O[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])	C[5,6](C[5,6]C[6a]C[5]O[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)(O[6]C[6,6a]){1|O<1>,2|H<1>,9|C<3>}	C[5,6](C[5,6]C[6a]C[5]O[6])(C[6a]C[6a]2)(O[6]C[6,6a])(C[5]C[5]O){2|H<1>,8|C<3>}	O[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|O<2>,8|C<3>}	111.2280	0.000	1	111.2280	0.000	1	111.2280	0.000	1	111.2280	0.000	1	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:3:3:2:	4:4:1:1:	4:3:	C[5,6]-4:C[6a]-3:N[5]-3:O[6]-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:	C[5,6](C[5,6]C[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,5]C)(O[6]C[6,6a])	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[6a]N[5]O[6])(H)2	O[6](C[5,6]C[5,6]C[6a]N[5])(C[6,6a]C[6,6a]C[6a])	C[5,6](C[5,6]C[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,5]C)(O[6]C[6,6a]){3|H<1>,6|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[6a]N[5]O[6])(H)2{7|C<3>}	O[6](C[5,6]C[5,6]C[6a]N[5])(C[6,6a]C[6,6a]C[6a]){2|C<4>,3|H<1>,5|C<3>}	110.2650	0.000	1	110.2650	0.000	1	110.2650	0.000	1	110.2650	0.000	1	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	3:4:2:1:	4:3:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]H)(O[5]C[5])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]O)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]H)(O[5]C[5])(H){1|C<4>,3|C<3>,4|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	112.5830	0.000	1	112.7135	0.034	2	112.7135	0.034	2	112.7135	0.034	2	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	3:4:2:1:	4:3:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]H)(O[5]C[5])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]O)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]H)(O[5]C[5])(H){3|C<3>,5|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	112.8440	0.000	1	112.7135	0.034	2	112.7135	0.034	2	112.7135	0.034	2	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	3:4:3:1:	4:3:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6a]-3:C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-4:C[6]-3:	C[5,6](C[5,6]C[5,6a]N[5,6]H)(C[5]C[5,6a]HH)(O[6]C[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6]H)(N[5,6]C[5,6]2)(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]O)	C[5,6](C[5,6]C[5,6a]N[5,6]H)(C[5]C[5,6a]HH)(O[6]C[6])(H){1|O<1>,2|C<3>,2|C<4>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6]H)(N[5,6]C[5,6]2)(H){2|C<4>,4|C<3>,5|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]O){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	112.0540	0.000	1	112.0540	0.000	1	112.0540	0.000	1	112.0540	0.000	1	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:2:3:1:	4:3:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:O[5]-2:C[6]-3:H-1:	C[5,6]-4:C[6]-3:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,5]O[6]H)(O[5]C[5,5])(C[6]C[6]H)(H)	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]O)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[5,5]O[6]H)(O[5]C[5,5])(C[6]C[6]H)(H){1|C<3>,2|O<2>,3|H<1>}	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]O){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	112.4590	0.280	2	112.4590	0.078	2	112.4590	0.078	2	112.4590	0.078	2	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:2:1:	4:3:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5]O[6]H)(O[5]C[5,5])(H)	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[5,6]O)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]O[5]H)(O[6]C[6])(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5]O[6]H)(O[5]C[5,5])(H){1|C<3>,1|N<3>,2|C<4>,2|O<2>,4|H<1>}	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[5,6]O){2|O<2>,3|C<4>,3|H<1>}	112.2050	0.000	1	112.2050	0.000	1	112.2050	0.000	1	111.8356	2.544	24	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:2:1:	4:3:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6,6]O[5]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6,6]C[6,6]C[6]H)(O[5]C[5,5])(H)	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6,6]O)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6,6]O[5]H)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,5]O[6]H)(C[6,6]C[6,6]C[6]H)(O[5]C[5,5])(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6,6]O){2|O<2>,3|C<4>,3|H<1>}	112.7695	0.668	2	112.9117	0.284	3	112.9117	0.284	3	111.8356	2.544	24	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:2:1:	4:3:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6,6]O[5]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6,6]C[6,6]C[6]H)(O[5]C[5,5])(H)	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6,6]O)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6,6]O[5]H)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,5]O[6]H)(C[6,6]C[6,6]C[6]H)(O[5]C[5,5])(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6,6]O){2|H<1>,2|O<2>,4|C<4>}	113.1960	0.000	1	112.9117	0.284	3	112.9117	0.284	3	111.8356	2.544	24	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:2:1:	4:3:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:B[6]-3:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]B[6])(H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]CH)(O[5]C[5,5])(H)	O[6](C[5,6]C[5,5]C[5,6]H)(B[6]C[6a]O[6])	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]B[6])(H){1|B<3>,1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]CH)(O[5]C[5,5])(H){1|B<3>,2|H<1>,2|O<2>}	O[6](C[5,6]C[5,5]C[5,6]H)(B[6]C[6a]O[6]){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	110.5813	1.062	7	110.5813	1.127	7	110.8250	1.084	9	111.8356	2.544	24	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:2:1:	4:3:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:B[6]-3:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]B[6])(H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H)	O[6](C[5,6]C[5,5]C[5,6]H)(B[6]C[6a]O[6])	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]B[6])(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H){1|B<3>,2|H<1>,2|O<2>}	O[6](C[5,6]C[5,5]C[5,6]H)(B[6]C[6a]O[6]){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	111.6780	0.195	2	111.6780	0.038	2	110.8250	1.084	9	111.8356	2.544	24	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:2:1:	4:3:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H)	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H){1|C<3>,2|O<2>,3|H<1>}	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]H){2|C<4>,2|O<2>,3|H<1>}	114.0260	0.000	1	114.0260	0.000	1	113.6670	3.497	4	111.8356	2.544	24	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:2:1:	4:3:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H)	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]O)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H){1|C<3>,2|O<2>,4|H<1>}	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]O){2|C<4>,2|O<2>,4|H<1>}	114.4050	0.000	1	114.4050	0.000	1	113.6670	3.497	4	111.8356	2.544	24	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:2:1:	4:3:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H)	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]S)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H){1|C<4>,1|S<1>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H){1|C<3>,2|H<1>,2|O<2>}	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]S){2|C<4>,2|H<1>,2|O<2>}	110.9720	0.000	1	110.9720	0.000	1	113.6670	3.497	4	111.8356	2.544	24	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:2:1:	4:3:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]S[6]HH)(O[5]C[5,5])(H)	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]S[6]S)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H){1|C<4>,1|O<2>,1|S<1>,1|S<2>,3|H<1>}	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]S[6]HH)(O[5]C[5,5])(H){1|C<3>,2|H<1>,2|O<2>}	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]S[6]S){2|C<4>,2|H<1>,2|O<2>}	115.2650	0.000	1	115.2650	0.000	1	113.6670	3.497	4	111.8356	2.544	24	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-3:	C[5,6](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6,6]HO)(O[6]C[6])(H)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6]O[6]H)(OH)(H)	O[6](C[5,6]C[5,6]2H)(C[6]C[6,6]O)	C[5,6](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6,6]HO)(O[6]C[6])(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6]O[6]H)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	O[6](C[5,6]C[5,6]2H)(C[6]C[6,6]O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	109.1400	0.000	1	109.1400	0.000	1	109.1400	0.000	1	111.8356	2.544	24	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-3:	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]HH)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]O[5]H)(OC)(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]HH)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]O[5]H)(OC)(H){1|C<3>,4|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O){1|C<4>,2|O<2>,5|H<1>}	110.7440	0.000	1	110.7440	0.000	1	110.7440	0.000	1	111.8356	2.544	24	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|C<3>,1|N<3>,3|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O){1|O<2>,2|C<4>,3|H<1>}	111.5090	0.000	1	112.3950	0.890	3	112.2274	0.836	5	111.8356	2.544	24	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|O<1>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,3|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O){1|O<2>,2|C<4>,3|H<1>}	112.8380	0.776	2	112.3950	0.890	3	112.2274	0.836	5	111.8356	2.544	24	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]S[6]HH)(O[5]C[5])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]S[6]S)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|O<2>,1|S<1>,1|S<2>,3|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]S[6]HH)(O[5]C[5])(H){1|C<3>,1|O<2>,3|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]S[6]S){1|O<2>,2|C<4>,3|H<1>}	111.9760	1.164	2	111.9760	1.355	2	112.2274	0.836	5	111.8356	2.544	24	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:3:1:	4:3:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-3:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]N[6]CH)(N[5]C[5]C)(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]O)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]N[6]CH)(N[5]C[5]C)(H){2|C<3>,4|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]O){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	113.5890	0.000	1	113.5890	0.000	1	113.5890	0.000	1	113.5890	0.000	1	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:3:4:	4:3:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]HH)(C[6]C[6]H)(CH3)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(O[6]C[6])(H){1|C<3>,2|O<1>,3|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]HH)(C[6]C[6]H)(CH3){1|C<3>,1|O<1>,3|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O){2|C<3>,2|C<4>,3|H<1>}	112.1680	0.000	1	112.1680	0.000	1	112.1680	0.000	1	112.1680	0.000	1	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:4:1:	4:2:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:N[6]-2:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(O[6]N[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]HH)(H)	O[6](C[5,6]C[5,6]C[5]H)(N[6]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(O[6]N[6])(H){2|C<3>,5|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]HH)(H){1|Cl<1>,1|N<2>,2|C<3>,4|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]){1|Cl<1>,3|C<4>,3|H<1>}	110.5190	0.000	1	110.5190	0.000	1	110.5190	0.000	1	110.5190	0.000	1	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:4:1:	4:3:	C[5,6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,6]O[6]H)(C[5]C[5,6]HH)(C[6]N[6]HH)(H)	O[6](C[5,6]C[5,6]2H)(C[6]C[6]N[6])	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(O[6]C[6])(H){1|N<2>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6]O[6]H)(C[5]C[5,6]HH)(C[6]N[6]HH)(H){1|C<3>,1|H<1>,3|C<4>}	O[6](C[5,6]C[5,6]2H)(C[6]C[6]N[6]){2|H<1>,7|C<4>}	114.3240	0.000	1	114.3240	0.000	1	114.3240	0.000	1	113.4120	0.649	3	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:4:1:	4:3:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-3:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]S[5]2)(C[5]C[5]HH)(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|C<4>,1|O<1>,2|S<2>,4|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]S[5]2)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,6|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O){3|C<4>,5|H<1>}	113.1140	0.000	1	113.1140	0.000	1	113.1140	0.000	1	113.4120	0.649	3	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:4:1:	4:3:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]C[6]CH)(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(O[6]C[6])(H){1|O<1>,2|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,7|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O){3|C<4>,5|H<1>}	112.7980	0.000	1	112.7980	0.000	1	112.7980	0.000	1	113.4120	0.649	3	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:4:3:	4:3:	C[5,5,6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]N[5,6])(C[5,6]C[5,6]C[5]C[6])(O[6]C[6])(H)	C[5,6](C[5,6]C[5,5,6]O[6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[5]C[5]2)	O[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]N[5,6])(C[5,6]C[5,6]C[5]C[6])(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,5|H<1>,7|C<4>}	C[5,6](C[5,6]C[5,5,6]O[6]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[5]C[5]2){1|C<3>,1|N<3>,6|C<4>,7|H<1>}	O[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]O){1|C<3>,1|N<3>,2|H<1>,4|C<4>}	115.1870	0.000	1	115.1870	0.000	1	115.1870	0.000	1	114.2290	1.836	2	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:4:3:	4:3:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:C-3:	C[5,6]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(COO)	O[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]O)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(O[6]C[6])(H){1|C<3>,1|N<3>,1|O<1>,5|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(COO){3|C<3>,5|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]O){1|C<3>,3|C<4>,3|H<1>}	113.2710	0.000	1	113.2710	0.000	1	113.2710	0.000	1	114.2290	1.836	2	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:4:4:	4:3:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]HH)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[5]O[5]HH)(C[6]N[6]HH)(CCHH)	O[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]O)	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]HH)(O[6]C[6])(H){1|N<3>,1|O<1>,4|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[5]O[5]HH)(C[6]N[6]HH)(CCHH){1|C<3>,3|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]O){1|O<2>,3|C<4>,3|H<1>}	111.4680	0.000	1	111.4680	0.000	1	111.4680	0.000	1	111.4680	0.000	1	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:2:	4:4:3:1:	4:3:	C[5,6]-4:C[5]-4:O[6]-2:O[5]-2:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-3:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(O[6]C[5,6])(O[5]C[5])	C[5,6](C[5,6]C[5]O[5]O[6])(C[5,6]C[5,6]C[5]H)(C[5]O[5]O)(H)	O[6](C[5,6]C[5,6]C[5]O[5])(C[5,6]C[5,6]C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(O[6]C[5,6])(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]O[5]O[6])(C[5,6]C[5,6]C[5]H)(C[5]O[5]O)(H){2|C<3>,3|C<4>,3|H<1>}	O[6](C[5,6]C[5,6]C[5]O[5])(C[5,6]C[5,6]C[5]){2|C<3>,4|C<4>,5|H<1>}	111.3670	0.390	2	111.3670	0.152	2	111.3670	0.152	2	111.3670	0.152	2	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:4:	3:4:3:4:	4:2:	C[5,6]-4:C[5]-4:O[6]-2:C-4:	C[6,6]-3:C[5,6]-4:C[5]-3:C-4:	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[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]O[6]C)(C[5]C[5]H)(CH3)	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[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]O[6]C)(C[5]C[5]H)(CH3){1|N<2>,3|C<3>,3|H<1>}	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>}	110.7600	0.000	1	110.7600	0.000	1	110.7600	0.000	1	110.7600	0.000	1	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:4:	4:4:4:1:	4:3:	C[3,5]-4:C[5,6]-4:O[6]-2:C-4:	C[5,6]-4:C[6]-4:C[5]-4: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[5,6](C[5,6]C[3,5]O[6]C)(C[6]C[6,6a]HH)(C[5]C[3,5]HH)(H)	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[5,6](C[5,6]C[3,5]O[6]C)(C[6]C[6,6a]HH)(C[5]C[3,5]HH)(H){1|H<1>,2|C<3>,2|C<4>}	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>}	109.5105	0.028	2	109.5105	0.001	2	109.5105	0.001	2	109.5617	0.008	3	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:4:	4:4:4:1:	4:3:	C[5,6]-4:C[5]-4:O[6]-2:C-4:	C[5,6]-4:C[6]-4:C[5]-4: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[5,6](C[5,6]C[5]O[6]C)(C[6]C[6,6]HH)(C[5]C[5]CH)(H)	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[5,6](C[5,6]C[5]O[6]C)(C[6]C[6,6]HH)(C[5]C[5]CH)(H){2|C<3>,4|H<1>}	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>}	109.6640	0.000	1	109.6640	0.000	1	109.6640	0.000	1	109.5617	0.008	3	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP2_SP3	C[5,6]	C[5,6]	O[6]	4:4:3:2:	4:4:2:1:	4:3:	C[5,6]-4:C[5]-4:C[6a]-3:O[6]-2:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6,6a]-3:	C[5,6](C[5,6]C[5,6]HO)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])	C[5,6](C[5,6]C[6a]C[5]O[6])(C[5,6]C[6,6a]C[5]O)(OH)(H)	O[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])	C[5,6](C[5,6]C[5,6]HO)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a]){1|O<2>,3|H<1>,7|C<3>}	C[5,6](C[5,6]C[6a]C[5]O[6])(C[5,6]C[6,6a]C[5]O)(OH)(H){2|H<1>,6|C<3>}	O[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a]){1|O<2>,2|C<4>,3|H<1>,5|C<3>}	106.1365	0.238	2	106.1365	0.057	2	106.1365	0.057	2	106.1365	0.057	2	111.9910	4.985	143	111.9939	4.736	197
474	474	622	6:SP3_SP3_SP3	C[3x5,6]	C[5,5,6]	O[6]	4:4:2:2:	4:4:4:1:	4:4:	C[5,5,6]-4:C[5,5]-4:O[5,5]-2:O[6]-2:	C[3x5,6]-4:C[3,5,5]-4:C[6]-4:H-1:	C[3x5,6]-4:C[6]-4:	C[3x5,6](C[5,5,6]C[3,5,5]C[6]H)(C[5,5]C[3,5,5]C[6a]2)(O[5,5]C[3,5,5])(O[6]C[6])	C[5,5,6](C[3x5,6]C[5,5]O[5,5]O[6])(C[3,5,5]C[3,5,5]2C[6a])(C[6]C[6]HH)(H)	O[6](C[3x5,6]C[5,5,6]C[5,5]O[5,5])(C[6]C[6]HH)	C[3x5,6](C[5,5,6]C[3,5,5]C[6]H)(C[5,5]C[3,5,5]C[6a]2)(O[5,5]C[3,5,5])(O[6]C[6]){1|C<4>,5|C<3>,6|H<1>}	C[5,5,6](C[3x5,6]C[5,5]O[5,5]O[6])(C[3,5,5]C[3,5,5]2C[6a])(C[6]C[6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	O[6](C[3x5,6]C[5,5,6]C[5,5]O[5,5])(C[6]C[6]HH){2|C<3>,3|H<1>,4|C<4>}	118.0800	0.256	2	118.0800	0.066	2	118.0800	0.066	2	118.0800	0.066	2	118.0800	0.066	2	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,3x6]	C[5,3x6]	O[6,6]	4:3:2:4:	4:3:4:3:	4:2:	C[5,3x6]-4:C[6,6]-3:O[6,6]-2:C[5]-4:	C[5,3x6]-4:C[6,6]-3:C[6,6]-4:N[5,6]-3:	C[5,3x6]-4:O[6,6]-2:	C[5,3x6](C[5,3x6]C[6,6]2N[5,6])(C[6,6]C[6,6]H)(O[6,6]O[6,6])(C[5]C[5]HH)	C[5,3x6](C[5,3x6]C[6,6]O[6,6]C[5])(C[6,6]C[6,6]C[6])(C[6,6]C[3x6]HH)(N[5,6]C[5]C[6])	O[6,6](C[5,3x6]C[5,3x6]C[6,6]C[5])(O[6,6]C[3x6])	C[5,3x6](C[5,3x6]C[6,6]2N[5,6])(C[6,6]C[6,6]H)(O[6,6]O[6,6])(C[5]C[5]HH){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5,3x6](C[5,3x6]C[6,6]O[6,6]C[5])(C[6,6]C[6,6]C[6])(C[6,6]C[3x6]HH)(N[5,6]C[5]C[6]){1|C<3>,1|O<1>,1|O<2>,3|C<4>,8|H<1>}	O[6,6](C[5,3x6]C[5,3x6]C[6,6]C[5])(O[6,6]C[3x6]){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	106.4930	0.226	6	106.4930	0.051	6	106.4930	0.051	6	106.4930	0.051	6	109.9086	17.885	11	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,3x6]	C[5,3x6]	O[6,6]	4:4:2:2:	4:4:4:3:	4:4:	C[5,3x6]-4:C[5,6,6]-4:O[6,6]-2:O-2:	C[5,3x6]-4:C[3x6]-4:C[6]-4:C[5]-3:	C[5,3x6]-4:C[6,6]-4:	C[5,3x6](C[5,3x6]C[3x6]C[5]C[6])(C[5,6,6]C[3x6]O[5]H)(O[6,6]C[6,6])(OH)	C[5,3x6](C[5,3x6]C[5,6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[6]C[6]HO)(C[5]O[5]O)	O[6,6](C[5,3x6]C[5,3x6]C[5,6,6]O)(C[6,6]C[4x6]HH)	C[5,3x6](C[5,3x6]C[3x6]C[5]C[6])(C[5,6,6]C[3x6]O[5]H)(O[6,6]C[6,6])(OH){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[5,3x6](C[5,3x6]C[5,6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(C[6]C[6]HO)(C[5]O[5]O){1|C<3>,4|C<4>,4|H<1>}	O[6,6](C[5,3x6]C[5,3x6]C[5,6,6]O)(C[6,6]C[4x6]HH){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	115.1058	0.394	4	115.1058	0.155	4	115.1058	0.155	4	115.1058	0.155	4	109.9086	17.885	11	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,3x6]	C[5,3x6]	O[6,6]	4:4:2:3:	4:3:3:2:	4:4:	C[5,3x6]-4:C[5,6]-4:O[6,6]-2:C[6]-3:	C[5,3x6]-4:C[6,6]-3:C[6,6]-3:O[5]-2:	C[5,3x6]-4:C[3x6]-4:	C[5,3x6](C[5,3x6]C[6,6]2O[5])(C[5,6]C[5,6]C[6]H)(O[6,6]C[3x6])(C[6]C[6]O)	C[5,3x6](C[5,3x6]C[5,6]O[6,6]C[6])(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(O[5]C[5,6])	O[6,6](C[5,3x6]C[5,3x6]C[5,6]C[6])(C[3x6]C[6,6]2C)	C[5,3x6](C[5,3x6]C[6,6]2O[5])(C[5,6]C[5,6]C[6]H)(O[6,6]C[3x6])(C[6]C[6]O){1|H<1>,1|O<1>,2|C<3>,7|C<4>}	C[5,3x6](C[5,3x6]C[5,6]O[6,6]C[6])(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(O[5]C[5,6]){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	O[6,6](C[5,3x6]C[5,3x6]C[5,6]C[6])(C[3x6]C[6,6]2C){1|O<1>,1|O<2>,3|C<3>,3|C<4>,3|H<1>}	109.6140	0.000	1	109.6140	0.000	1	109.6140	0.000	1	109.6140	0.000	1	109.9086	17.885	11	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,3x6]	C[5,5,6,6]	O[6,6]	4:4:2:2:	4:4:4:2:	4:4:	C[5,5,6,6]-4:C[5,6,6]-4:O[6,6]-2:O-2:	C[5,3x6]-4:C[5,6,6]-4:C[5,5]-4:O-2:	C[5,3x6]-4:C[6,6]-4:	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[5,6,6]O[6,6]C[5]H)(O[6,6]C[6,6])(OH)	C[5,5,6,6](C[5,3x6]C[5,6,6]O[6,6]O)(C[5,6,6]C[3x6]O[5]H)(C[5,5]C[5]2C[6])(OH)	O[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]O)(C[6,6]C[3x6]HH)	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[5,6,6]O[6,6]C[5]H)(O[6,6]C[6,6])(OH){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,5,6,6](C[5,3x6]C[5,6,6]O[6,6]O)(C[5,6,6]C[3x6]O[5]H)(C[5,5]C[5]2C[6])(OH){1|O<1>,1|O<2>,3|C<4>,5|H<1>}	O[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]O)(C[6,6]C[3x6]HH){2|H<1>,2|O<2>,3|C<4>}	111.6210	0.000	1	111.6210	0.000	1	111.6210	0.000	1	111.6210	0.000	1	111.6210	0.000	1	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,3x6]	C[5,5x6]	O[6,6]	4:4:2:1:	4:4:4:3:	4:4:	C[5,5x6]-4:C[5,6]-4:O[6,6]-2:H-1:	C[5,3x6]-4:C[4x6]-4:C[4x6]-4:C[5]-3:	C[5,3x6]-4:C[4x6]-4:	C[5,3x6](C[5,5x6]C[4x6]2C[5])(C[5,6]C[5]C[6]H)(O[6,6]C[4x6])(H)	C[5,5x6](C[5,3x6]C[5,6]O[6,6]H)(C[4x6]C[6,6]O[3x6]O)(C[4x6]C[5x6]C[6]H)(C[5]C[5]O)	O[6,6](C[5,3x6]C[5,5x6]C[5,6]H)(C[4x6]C[5x6]O[3x6]H)	C[5,3x6](C[5,5x6]C[4x6]2C[5])(C[5,6]C[5]C[6]H)(O[6,6]C[4x6])(H){1|O<1>,2|O<2>,4|C<4>,5|H<1>}	C[5,5x6](C[5,3x6]C[5,6]O[6,6]H)(C[4x6]C[6,6]O[3x6]O)(C[4x6]C[5x6]C[6]H)(C[5]C[5]O){2|O<2>,4|H<1>,5|C<4>}	O[6,6](C[5,3x6]C[5,5x6]C[5,6]H)(C[4x6]C[5x6]O[3x6]H){1|C<3>,1|H<1>,6|C<4>}	108.9540	0.000	1	108.9540	0.000	1	108.9540	0.000	1	108.9540	0.000	1	108.9540	0.000	1	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,3x6]	C[5,6,6]	O[6,6]	3:4:2:4:	4:4:4:4:	4:2:	C[5,6,6]-3:C[5,6,6]-4:O[6,6]-2:C[5]-4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:C-4:	C[5,3x6]-4:O[6,6]-2:	C[5,3x6](C[5,6,6]C[5,6,6]C[5])(C[5,6,6]C[6,6]C[5]C)(O[6,6]O[6,6])(C[5]O[5]HH)	C[5,6,6](C[5,3x6]C[5,6,6]O[6,6]C[5])(C[6,6]C[3x6]HH)(C[5]O[5]HH)(CH3)	O[6,6](C[5,3x6]C[5,6,6]2C[5])(O[6,6]C[3x6])	C[5,3x6](C[5,6,6]C[5,6,6]C[5])(C[5,6,6]C[6,6]C[5]C)(O[6,6]O[6,6])(C[5]O[5]HH){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]O[6,6]C[5])(C[6,6]C[3x6]HH)(C[5]O[5]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O[6,6](C[5,3x6]C[5,6,6]2C[5])(O[6,6]C[3x6]){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	108.7130	0.000	1	108.7130	0.000	1	108.7130	0.000	1	108.7130	0.000	1	110.8670	10.261	8	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,3x6]	C[5,6,6]	O[6,6]	3:4:2:4:	4:4:4:4:	4:3:	C[5,6,6]-3:C[5,6,6]-4:O[6,6]-2:C[5]-4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:C-4:	C[5,3x6]-4:N[6,6]-3:	C[5,3x6](C[5,6,6]C[5,6,6]C[5])(C[5,6,6]C[6,6]C[5]C)(O[6,6]N[6,6])(C[5]O[5]HH)	C[5,6,6](C[5,3x6]C[5,6,6]O[6,6]C[5])(C[6,6]C[3x6]HH)(C[5]O[5]HH)(CH3)	O[6,6](C[5,3x6]C[5,6,6]2C[5])(N[6,6]C[3x6]C)	C[5,3x6](C[5,6,6]C[5,6,6]C[5])(C[5,6,6]C[6,6]C[5]C)(O[6,6]N[6,6])(C[5]O[5]HH){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]O[6,6]C[5])(C[6,6]C[3x6]HH)(C[5]O[5]HH)(CH3){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	O[6,6](C[5,3x6]C[5,6,6]2C[5])(N[6,6]C[3x6]C){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	106.4305	0.012	2	106.4305	0.000	2	106.4305	0.000	2	106.4305	0.000	2	110.8670	10.261	8	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,3x6]	C[5,6,6]	O[6,6]	4:4:2:2:	4:4:2:1:	4:4:	C[5,3x6]-4:C[5,6,6]-4:O[6,6]-2:O-2:	C[5,3x6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,3x6]-4:C[6,6]-4:	C[5,3x6](C[5,3x6]C[3x6]C[5]C[6])(C[5,6,6]C[3x6]O[5]H)(O[6,6]C[6,6])(OH)	C[5,6,6](C[5,3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(O[5]C[5])(H)	O[6,6](C[5,3x6]C[5,3x6]C[5,6,6]O)(C[6,6]C[4x6]HH)	C[5,3x6](C[5,3x6]C[3x6]C[5]C[6])(C[5,6,6]C[3x6]O[5]H)(O[6,6]C[6,6])(OH){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[5,6,6](C[5,3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(O[5]C[5])(H){1|O<1>,7|C<4>}	O[6,6](C[5,3x6]C[5,3x6]C[5,6,6]O)(C[6,6]C[4x6]HH){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	112.7433	0.667	4	112.7433	0.445	4	112.7433	0.445	4	113.0724	0.875	5	110.8670	10.261	8	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,3x6]	C[5,6,6]	O[6,6]	4:4:2:2:	4:4:2:1:	4:4:	C[5,5,6,6]-4:C[5,6,6]-4:O[6,6]-2:O-2:	C[5,3x6]-4:C[5]-4:O[6,6]-2:H-1:	C[5,3x6]-4:C[6,6]-4:	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[5,6,6]O[6,6]C[5]H)(O[6,6]C[6,6])(OH)	C[5,6,6](C[5,3x6]C[5,5,6,6]O[6,6]O)(C[5]C[5,5]HH)(O[6,6]C[3x6])(H)	O[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]O)(C[6,6]C[3x6]HH)	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[5,6,6]O[6,6]C[5]H)(O[6,6]C[6,6])(OH){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,6,6](C[5,3x6]C[5,5,6,6]O[6,6]O)(C[5]C[5,5]HH)(O[6,6]C[3x6])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	O[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]O)(C[6,6]C[3x6]HH){2|H<1>,2|O<2>,3|C<4>}	114.3890	0.000	1	114.3890	0.000	1	114.3890	0.000	1	113.0724	0.875	5	110.8670	10.261	8	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,4x6]	C[5,3x6]	O[6,6]	4:4:4:2:	4:4:4:2:	4:4:	C[5,3x6]-4:C[5,6]-4:C[6,6]-4:O[6,6]-2:	C[5,4x6]-4:C[3x6]-4:C[6]-4:O[5]-2:	C[5,4x6]-4:C[6,6]-4:	C[5,4x6](C[5,3x6]C[3x6]C[6]O[5])(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])	C[5,3x6](C[5,4x6]C[5,6]C[6,6]O[6,6])(C[3x6]C[4x6]C[5,6]C)(C[6]C[6]HH)(O[5]C[5])	O[6,6](C[5,4x6]C[5,3x6]C[5,6]C[6,6])(C[6,6]C[4x6]HH)	C[5,4x6](C[5,3x6]C[3x6]C[6]O[5])(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)(O[6,6]C[6,6]){1|O<1>,4|C<4>,8|H<1>}	C[5,3x6](C[5,4x6]C[5,6]C[6,6]O[6,6])(C[3x6]C[4x6]C[5,6]C)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,1|O<2>,5|H<1>,6|C<4>}	O[6,6](C[5,4x6]C[5,3x6]C[5,6]C[6,6])(C[6,6]C[4x6]HH){1|C<3>,1|O<2>,2|H<1>,6|C<4>}	108.4720	0.000	1	108.4720	0.000	1	108.4720	0.000	1	108.4720	0.000	1	108.4720	0.000	1	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,5,3x6]	C[5,3x6]	O[6]	4:4:2:2:	4:3:4:4:	4:4:	C[5,3x6]-4:C[5,6,6]-4:O[5,5]-2:O[6]-2:	C[5,5,3x6]-4:C[5,6]-3:C[6]-4:C[6]-4:	C[5,5,3x6]-4:C[6]-4:	C[5,5,3x6](C[5,3x6]C[5,6]C[6]2)(C[5,6,6]C[5,6]C[6]C)(O[5,5]C[5,5,6])(O[6]C[6])	C[5,3x6](C[5,5,3x6]C[5,6,6]O[5,5]O[6])(C[5,6]C[5,5,6]O)(C[6]C[6]HH)2	O[6](C[5,5,3x6]C[5,3x6]C[5,6,6]O[5,5])(C[6]C[6]CC)	C[5,5,3x6](C[5,3x6]C[5,6]C[6]2)(C[5,6,6]C[5,6]C[6]C)(O[5,5]C[5,5,6])(O[6]C[6]){2|O<1>,4|H<1>,7|C<4>}	C[5,3x6](C[5,5,3x6]C[5,6,6]O[5,5]O[6])(C[5,6]C[5,5,6]O)(C[6]C[6]HH)2{1|O<2>,2|C<3>,2|H<1>,4|C<4>}	O[6](C[5,5,3x6]C[5,3x6]C[5,6,6]O[5,5])(C[6]C[6]CC){1|H<1>,1|O<2>,3|C<3>,4|C<4>}	118.4750	0.000	1	118.4750	0.000	1	118.4750	0.000	1	118.4750	0.000	1	118.4750	0.000	1	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,5,6,6]	C[5,5,3x6]	O[6,6]	4:2:4:3:	4:4:4:2:	4:4:	C[5,5,3x6]-4:O[6,6]-2:C[5]-4:C[5]-3:	C[5,5,6,6]-4:C[5,6,6]-4:C[6,6]-4:O[5]-2:	C[5,5,6,6]-4:C[3x6]-4:	C[5,5,6,6](C[5,5,3x6]C[5,6,6]C[6,6]O[5])(O[6,6]C[3x6])(C[5]C[5]CH)(C[5]C[5]C)	C[5,5,3x6](C[5,5,6,6]O[6,6]C[5]2)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(O[5]C[5])	O[6,6](C[5,5,6,6]C[5,5,3x6]C[5]2)(C[3x6]C[6,6]2C)	C[5,5,6,6](C[5,5,3x6]C[5,6,6]C[6,6]O[5])(O[6,6]C[3x6])(C[5]C[5]CH)(C[5]C[5]C){1|O<1>,1|S<2>,3|C<4>,4|H<1>}	C[5,5,3x6](C[5,5,6,6]O[6,6]C[5]2)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(O[5]C[5]){1|O<1>,1|O<2>,1|S<2>,2|C<3>,2|C<4>,4|H<1>}	O[6,6](C[5,5,6,6]C[5,5,3x6]C[5]2)(C[3x6]C[6,6]2C){2|O<2>,3|C<3>,3|H<1>,4|C<4>}	107.4150	0.000	1	107.4150	0.000	1	107.4140	0.003	3	107.4140	0.003	3	107.4140	0.003	3	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,5,6,6]	C[5,5,3x6]	O[6,6]	4:2:4:3:	4:4:4:2:	4:4:	C[5,5,3x6]-4:O[6,6]-2:C[5]-4:C[5]-3:	C[5,5,6,6]-4:C[5,6,6]-4:C[6,6]-4:O[5]-2:	C[5,5,6,6]-4:C[3x6]-4:	C[5,5,6,6](C[5,5,3x6]C[5,6,6]C[6,6]O[5])(O[6,6]C[3x6])(C[5]C[5]CH)(C[5]C[5]C)	C[5,5,3x6](C[5,5,6,6]O[6,6]C[5]2)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(O[5]C[5])	O[6,6](C[5,5,6,6]C[5,5,3x6]C[5]2)(C[3x6]C[6,6]2H)	C[5,5,6,6](C[5,5,3x6]C[5,6,6]C[6,6]O[5])(O[6,6]C[3x6])(C[5]C[5]CH)(C[5]C[5]C){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[5,5,3x6](C[5,5,6,6]O[6,6]C[5]2)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,2|O<2>,4|H<1>}	O[6,6](C[5,5,6,6]C[5,5,3x6]C[5]2)(C[3x6]C[6,6]2H){2|O<2>,3|C<3>,3|H<1>,4|C<4>}	107.4135	0.078	2	107.4135	0.006	2	107.4140	0.003	3	107.4140	0.003	3	107.4140	0.003	3	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,5,6]	C[5,5,6,6]	O[6]	4:3:4:2:	4:4:3:3:	4:4:	C[5,5,6,6]-4:C[5]-3:C[5]-4:O[6]-2:	C[5,5,6]-4:C[3x6]-4:C[5,6]-3:C[5]-3:	C[5,5,6]-4:C[6,6]-4:	C[5,5,6](C[5,5,6,6]C[3x6]C[5,6]C[5])(C[5]C[5,6]O)(C[5]O[5]CH)(O[6]C[6,6])	C[5,5,6,6](C[5,5,6]C[5]2O[6])(C[3x6]C[6,6]2C)(C[5,6]C[5,6]C)(C[5]O[5]O)	O[6](C[5,5,6]C[5,5,6,6]C[5]2)(C[6,6]C[6,6]2H)	C[5,5,6](C[5,5,6,6]C[3x6]C[5,6]C[5])(C[5]C[5,6]O)(C[5]O[5]CH)(O[6]C[6,6]){1|H<1>,1|O<1>,2|C<3>,5|C<4>}	C[5,5,6,6](C[5,5,6]C[5]2O[6])(C[3x6]C[6,6]2C)(C[5,6]C[5,6]C)(C[5]O[5]O){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	O[6](C[5,5,6]C[5,5,6,6]C[5]2)(C[6,6]C[6,6]2H){1|O<1>,1|O<2>,3|C<3>,3|H<1>,4|C<4>}	115.0420	0.000	1	115.0420	0.000	1	115.0420	0.000	1	115.0420	0.000	1	113.9590	2.346	2	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,5,6]	C[5,5,6,6]	O[6]	4:4:2:1:	4:4:4:1:	4:4:	C[5,5,6,6]-4:C[5,5,6]-4:O[6]-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(O[6]C[5,6])(H)	C[5,5,6,6](C[5,5,6]C[5,5,6]O[6]H)(C[5,6,6]C[5,6]O[6]H)(C[5,6]C[5,6]HH)(H)	O[6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[5,6]O[5]2O[6])	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(O[6]C[5,6])(H){3|O<2>,7|H<1>}	C[5,5,6,6](C[5,5,6]C[5,5,6]O[6]H)(C[5,6,6]C[5,6]O[6]H)(C[5,6]C[5,6]HH)(H){1|C<4>,5|H<1>}	O[6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[5,6]O[5]2O[6]){2|C<3>,2|H<1>,4|C<4>}	112.8760	0.000	1	112.8760	0.000	1	112.8760	0.000	1	112.8760	0.000	1	113.9590	2.346	2	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,5,6]	C[5,5,6]	O[6]	3:3:4:2:	4:4:4:2:	4:4:	C[5,6a]-3:C[5,6a]-3:C[5,5,6]-4:O[6]-2:	C[5,5,6]-4:C[5]-4:C[5]-4:O[6]-2:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6a]C[5,6a]C[6a])2(C[5,5,6]C[5]2O[6])(O[6]C[5,5,6])	C[5,5,6](C[5,5,6]C[5,6a]2O[6])(C[5]C[5,6a]HH)2(O[6]C[5,5,6])	O[6](C[5,5,6]C[5,5,6]C[5,6a]2)(C[5,5,6]C[5,5,6]C[5]2)	C[5,5,6](C[5,6a]C[5,6a]C[6a])2(C[5,5,6]C[5]2O[6])(O[6]C[5,5,6]){3|C<4>,4|C<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,6a]2O[6])(C[5]C[5,6a]HH)2(O[6]C[5,5,6]){1|C<4>,6|C<3>}	O[6](C[5,5,6]C[5,5,6]C[5,6a]2)(C[5,5,6]C[5,5,6]C[5]2){1|O<2>,2|C<4>,4|H<1>,8|C<3>}	114.5805	0.647	2	114.5805	0.419	2	114.5805	0.419	2	114.5805	0.419	2	113.6428	1.222	5	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,5,6]	C[5,5,6]	O[6]	3:4:4:2:	4:4:4:2:	4:4:	C[5,6a]-3:C[5,5,6]-4:C[5]-4:O[6]-2:	C[5,5,6]-4:C[5]-4:C[5]-4:O[6]-2:	C[5,5,6]-4:C[6,6]-4:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5]2O[6])(C[5]C[5]HH)(O[6]C[6,6])	C[5,5,6](C[5,5,6]C[5,6a]C[5]O[6])(C[5]C[5,6a]HH)(C[5]C[5]HH)(O[6]C[6,6])	O[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6,6]C[3,6]C[6,6]O)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5]2O[6])(C[5]C[5]HH)(O[6]C[6,6]){1|C<4>,1|O<2>,3|C<3>,7|H<1>}	C[5,5,6](C[5,5,6]C[5,6a]C[5]O[6])(C[5]C[5,6a]HH)(C[5]C[5]HH)(O[6]C[6,6]){1|C<4>,3|C<3>,4|H<1>}	O[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6,6]C[3,6]C[6,6]O){2|O<2>,3|C<3>,3|H<1>,4|C<4>}	113.9680	0.000	1	113.9680	0.000	1	113.9680	0.000	1	113.9680	0.000	1	113.6428	1.222	5	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,5,6]	C[5,5,6]	O[6]	4:4:4:2:	3:3:4:2:	4:4:	C[5,5,6]-4:C[5]-4:C[5]-4:O[6]-2:	C[5,6a]-3:C[5,6a]-3:C[5,5,6]-4:O[6]-2:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6a]2O[6])(C[5]C[5,6a]HH)2(O[6]C[5,5,6])	C[5,5,6](C[5,6a]C[5,6a]C[6a])2(C[5,5,6]C[5]2O[6])(O[6]C[5,5,6])	O[6](C[5,5,6]C[5,5,6]C[5,6a]2)(C[5,5,6]C[5,5,6]C[5]2)	C[5,5,6](C[5,5,6]C[5,6a]2O[6])(C[5]C[5,6a]HH)2(O[6]C[5,5,6]){1|C<4>,6|C<3>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])2(C[5,5,6]C[5]2O[6])(O[6]C[5,5,6]){3|C<4>,4|C<3>,6|H<1>}	O[6](C[5,5,6]C[5,5,6]C[5,6a]2)(C[5,5,6]C[5,5,6]C[5]2){1|O<2>,2|C<4>,4|H<1>,8|C<3>}	112.5425	0.428	2	112.5425	0.183	2	112.5425	0.183	2	112.5425	0.183	2	113.6428	1.222	5	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,5,6]	C[5,6]	O[6]	4:4:4:2:	4:3:2:1:	4:4:	C[5,6]-4:C[5,5]-4:C[5]-4:O[6]-2:	C[5,5,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[5,5,6]-4:C[6]-4:	C[5,5,6](C[5,6]C[6,6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(O[6]C[6])	C[5,6](C[5,5,6]C[5,5]C[5]O[6])(C[6,6a]C[6,6a]C[6a])(O[5]C[5])(H)	O[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6,6a]CC)	C[5,5,6](C[5,6]C[6,6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(O[6]C[6]){2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5]O[6])(C[6,6a]C[6,6a]C[6a])(O[5]C[5])(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	O[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6,6a]CC){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	112.8325	2.845	2	112.8325	8.092	2	112.8325	8.092	2	112.8325	8.092	2	112.4177	2.927	4	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,5,6]	C[5,6]	O[6]	4:4:4:2:	4:4:4:1:	4:4:	C[5,5]-4:C[5,6]-4:C[5]-4:O[6]-2:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5,6]-4:C[6]-4:	C[5,5,6](C[5,5]C[5]O[5]O)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(O[6]C[6])	C[5,6](C[5,5,6]C[5,5]C[5]O[6])(C[5]O[5]CH)(C[6]C[6]HH)(H)	O[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)	C[5,5,6](C[5,5]C[5]O[5]O)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(O[6]C[6]){1|C<3>,1|C<4>,9|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5]O[6])(C[5]O[5]CH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,4|H<1>}	O[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH){2|O<2>,4|C<4>,5|H<1>}	112.0030	0.000	2	112.0030	0.000	2	112.0030	0.000	2	112.0030	0.000	2	112.4177	2.927	4	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6,6]	C[5,3x6]	O[6,6]	4:2:2:4:	4:4:4:1:	4:4:	C[5,3x6]-4:O[6,6]-2:O[5]-2:C-4:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4: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[5,3x6](C[5,6,6]O[6,6]C[6a]O[5])(C[5,6,6]O[6,6]O[5]C)(C[6,6]C[6,6]HH)(H)	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[5,3x6](C[5,6,6]O[6,6]C[6a]O[5])(C[5,6,6]O[6,6]O[5]C)(C[6,6]C[6,6]HH)(H){1|C<4>,2|C<3>,2|H<1>}	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>}	109.1010	0.000	1	109.1010	0.000	1	109.1010	0.000	1	109.1010	0.000	1	108.7373	0.960	12	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6,6]	C[5,3x6]	O[6,6]	4:2:2:4:	4:4:4:4:	4:4:	C[5,3x6]-4:O[6,6]-2:O[5]-2:C-4:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:C-4:	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[5,3x6](C[5,6,6]O[6,6]O[5]C)2(C[6,6]C[6,6]HH)(CH3)	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[5,3x6](C[5,6,6]O[6,6]O[5]C)2(C[6,6]C[6,6]HH)(CH3){1|C<4>,2|H<1>}	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>}	109.2020	0.129	2	109.2020	0.017	2	109.2020	0.017	2	109.2020	0.017	2	108.7373	0.960	12	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6,6]	C[5,3x6]	O[6,6]	4:2:3:2:	4:4:4:1:	4:4:	C[5,3x6]-4:O[6,6]-2:C[6a]-3:O[5]-2:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4: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[6a]C[6a]2)(O[5]O[5])	C[5,3x6](C[5,6,6]O[6,6]C[6a]O[5])(C[5,6,6]O[6,6]O[5]C)(C[6,6]C[6,6]HH)(H)	O[6,6](C[5,6,6]C[5,3x6]C[6a]O[5])(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])(C[6a]C[6a]2)(O[5]O[5]){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,3x6](C[5,6,6]O[6,6]C[6a]O[5])(C[5,6,6]O[6,6]O[5]C)(C[6,6]C[6,6]HH)(H){1|C<4>,2|C<3>,2|H<1>}	O[6,6](C[5,6,6]C[5,3x6]C[6a]O[5])(C[3x6]C[6,6]O[6,6]C){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	109.0530	0.000	1	109.0530	0.000	1	109.0530	0.000	1	109.0530	0.000	1	108.7373	0.960	12	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6,6]	C[5,3x6]	O[6,6]	4:2:3:4:	4:4:4:4:	4:4:	C[5,3x6]-4:O[6,6]-2:C[5]-3:C-4:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:C-4:	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[5,3x6](C[5,6,6]C[6,6]C[5]C)(C[5,6,6]O[6,6]C[5]C)(C[6,6]O[6,6]CH)(CH3)	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[5,3x6](C[5,6,6]C[6,6]C[5]C)(C[5,6,6]O[6,6]C[5]C)(C[6,6]O[6,6]CH)(CH3){1|C<3>,1|H<1>,1|P<4>,2|C<4>}	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>}	109.0740	0.000	1	109.0740	0.000	1	109.5287	0.168	3	109.5287	0.168	3	108.7373	0.960	12	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6,6]	C[5,3x6]	O[6,6]	4:2:3:4:	4:4:4:4:	4:4:	C[5,3x6]-4:O[6,6]-2:C[5]-3:C-4:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:C-4:	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[5,3x6](C[5,6,6]C[6,6]C[5]C)(C[5,6,6]O[6,6]C[5]C)(C[6,6]O[6,6]CH)(CH3)	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[5,3x6](C[5,6,6]C[6,6]C[5]C)(C[5,6,6]O[6,6]C[5]C)(C[6,6]O[6,6]CH)(CH3){1|C<3>,1|H<1>,1|P<4>,2|C<4>}	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>}	109.8710	0.000	1	109.8710	0.000	1	109.5287	0.168	3	109.5287	0.168	3	108.7373	0.960	12	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6,6]	C[5,3x6]	O[6,6]	4:2:3:4:	4:4:4:4:	4:4:	C[5,3x6]-4:O[6,6]-2:C[5]-3:C-4:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:C-4:	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[5,3x6](C[5,6,6]C[6,6]C[5]C)(C[5,6,6]O[6,6]C[5]C)(C[6,6]O[6,6]CH)(CH3)	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[5,3x6](C[5,6,6]C[6,6]C[5]C)(C[5,6,6]O[6,6]C[5]C)(C[6,6]O[6,6]CH)(CH3){1|C<3>,1|H<1>,1|P<4>,2|C<4>}	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>}	109.6410	0.000	1	109.6410	0.000	1	109.5287	0.168	3	109.5287	0.168	3	108.7373	0.960	12	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6,6]	C[5,3x6]	O[6,6]	4:2:4:4:	4:4:3:1:	4:4:	C[5,3x6]-4:O[6,6]-2:C[5]-4:C-4:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3: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[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]O[6,6]C[5]C)(C[6,6]C[3x6]H)(H)	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[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]O[6,6]C[5]C)(C[6,6]C[3x6]H)(H){2|C<3>,2|C<4>,4|H<1>}	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>}	107.2065	0.012	2	107.2065	0.000	2	107.2065	0.000	2	107.2065	0.000	2	108.7373	0.960	12	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6,6]	C[5,3x6]	O[6,6]	4:2:4:4:	4:4:4:1:	4:4:	C[5,3x6]-4:O[6,6]-2:C[5]-4:C-4:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4: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[5,3x6](C[5,6,6]C[6,6]C[5]O)(C[5,6,6]O[6,6]C[5]C)(C[6,6]O[6,6]HO)(H)	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[5,3x6](C[5,6,6]C[6,6]C[5]O)(C[5,6,6]O[6,6]C[5]C)(C[6,6]O[6,6]HO)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	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>}	107.4500	0.000	1	107.4500	0.000	1	107.4500	0.000	1	107.4500	0.000	1	108.7373	0.960	12	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6,6]	C[5,3x6]	O[6,6]	4:3:2:3:	4:4:3:1:	4:4:	C[5,3x6]-4:C[5]-3:O[6,6]-2:C[6a]-3:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3: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)(C[5]C[6a]C[5])(O[6,6]C[3x6])(C[6a]C[6a]2)	C[5,3x6](C[5,6,6]C[6,6]C[6a]C[5])(C[5,6,6]O[6,6]C[6a]C[5])(C[6,6]C[6,6]C[6a])(H)	O[6,6](C[5,6,6]C[5,3x6]C[6a]C[5])(C[3x6]C[6,6]2C[6a])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5]C[6a]C[5])(O[6,6]C[3x6])(C[6a]C[6a]2){1|C<4>,2|H<1>,9|C<3>}	C[5,3x6](C[5,6,6]C[6,6]C[6a]C[5])(C[5,6,6]O[6,6]C[6a]C[5])(C[6,6]C[6,6]C[6a])(H){10|C<3>,1|C<4>,1|H<1>}	O[6,6](C[5,6,6]C[5,3x6]C[6a]C[5])(C[3x6]C[6,6]2C[6a]){1|C<4>,2|H<1>,9|C<3>}	108.1270	0.000	1	108.1270	0.000	1	108.1270	0.000	1	108.1270	0.000	1	108.7373	0.960	12	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6,6]	C[5,3x6]	O[6,6]	4:4:2:1:	4:4:2:2:	4:4:	C[5,3x6]-4:C[5]-4:O[6,6]-2:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:O[6,6]-2:O-2:	C[3x6]-4:C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,5,6,6]O[6,6]O)(C[5]C[5,5]HH)(O[6,6]C[3x6])(H)	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[5,6,6]O[6,6]C[5]H)(O[6,6]C[6,6])(OH)	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)	C[5,6,6](C[5,3x6]C[5,5,6,6]O[6,6]O)(C[5]C[5,5]HH)(O[6,6]C[3x6])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[5,6,6]O[6,6]C[5]H)(O[6,6]C[6,6])(OH){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H){2|C<4>,3|O<2>,5|H<1>}	109.7130	0.000	1	109.7130	0.000	1	109.7130	0.000	1	109.7130	0.000	1	108.7373	0.960	12	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6,6]	C[5,3x6]	O[6]	4:4:2:1:	4:4:4:3:	4:4:	C[5,3x6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:C[5]-3:	C[5,6,6]-4:Si[6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6]C[5,6]O[5]H)(O[6]Si[6])(H)	C[5,3x6](C[5,6,6]C[5,6]2O[5])(C[5,6,6]C[5,6]O[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]O)	O[6](C[5,6,6]C[5,3x6]C[5,6]H)(Si[6]O[6]CC)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6]C[5,6]O[5]H)(O[6]Si[6])(H){1|O<1>,2|H<1>,3|O<2>,5|C<4>}	C[5,3x6](C[5,6,6]C[5,6]2O[5])(C[5,6,6]C[5,6]O[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]O){1|Si<4>,2|O<2>,4|C<4>,4|H<1>}	O[6](C[5,6,6]C[5,3x6]C[5,6]H)(Si[6]O[6]CC){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	112.2480	0.397	2	112.2480	0.158	2	112.2480	0.158	2	112.2480	0.158	2	109.9704	4.532	5	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6,6]	C[5,3x6]	O[6]	4:4:2:1:	4:4:4:4:	4:4:	C[5,3x6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:C[5]-4:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6]C[6]O[5]H)(O[6]C[5,6])(H)	C[5,3x6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6,6]C[5,6]O[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH)	O[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[5,6]C[5]2O[6])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6]C[6]O[5]H)(O[6]C[5,6])(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[5,3x6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6,6]C[5,6]O[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH){2|O<2>,4|H<1>,5|C<4>}	O[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[5,6]C[5]2O[6]){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	107.7820	0.000	1	108.2560	0.449	2	108.2560	0.449	2	108.4520	0.340	3	109.9704	4.532	5	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6,6]	C[5,3x6]	O[6]	4:4:2:1:	4:4:4:4:	4:4:	C[5,3x6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:C[5]-4:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6]C[6]O[5]H)(O[6]C[5,6])(H)	C[5,3x6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6,6]C[5,6]O[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH)	O[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[5,6]C[5]2O[6])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6]C[6]O[5]H)(O[6]C[5,6])(H){2|O<2>,5|C<4>,5|H<1>}	C[5,3x6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6,6]C[5,6]O[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH){2|O<2>,4|H<1>,5|C<4>}	O[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[5,6]C[5]2O[6]){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	108.7300	0.000	1	108.2560	0.449	2	108.2560	0.449	2	108.4520	0.340	3	109.9704	4.532	5	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6,6]	C[5,3x6]	O[6]	4:4:2:1:	4:4:4:4:	4:4:	C[5,3x6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:C[5]-4:	C[5,6,6]-4:C[6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	C[5,3x6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6,6]C[5,6]O[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH)	O[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]O[6]CC)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6]C[6]O[5]H)(O[6]C[6])(H){2|O<2>,5|C<4>,5|H<1>}	C[5,3x6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6,6]C[5,6]O[6]H)(C[6,6]C[6]O[6]H)(C[5]O[5]HH){2|O<2>,4|H<1>,5|C<4>}	O[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]O[6]CC){1|H<1>,1|O<2>,4|C<4>}	108.8440	0.000	1	108.8440	0.000	1	108.8440	0.000	1	108.4520	0.340	3	109.9704	4.532	5	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6,6]	C[5,4x6]	O[6,6]	4:4:2:1:	4:4:3:3:	4:4:	C[5,4x6]-4:C[5]-4:O[6,6]-2:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[6,6a]-3:C[6,6]-3:	C[5,6,6]-4:C[3x6]-4:	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6a]C[6,6])(C[5]N[5,6]HH)(O[6,6]C[3x6])(H)	C[5,4x6](C[5,3x6]C[6,6]N[5,6]H)(C[5,6,6]O[6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]H)	O[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2H)	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6a]C[6,6])(C[5]N[5,6]HH)(O[6,6]C[3x6])(H){2|C<4>,3|C<3>,3|H<1>}	C[5,4x6](C[5,3x6]C[6,6]N[5,6]H)(C[5,6,6]O[6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]H){2|C<3>,2|C<4>,6|H<1>}	O[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	110.3020	0.000	1	110.3020	0.000	1	110.3020	0.000	1	110.3020	0.000	1	110.3020	0.000	1	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6,6]	C[5,4x6]	O[6]	4:4:2:1:	4:4:4:3:	4:4:	C[5,4x6]-4:C[5,6]-4:O[6]-2:H-1:	C[4x6]-4:C[5,6,6]-4:C[3x6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:	C[5,6,6](C[5,4x6]C[3x6]C[4x6]C[5])(C[5,6]C[5]C[6]H)(O[6]C[6])(H)	C[5,4x6](C[4x6]C[6,6]O[6,6]O[6])(C[5,6,6]C[5,6]O[6]H)(C[3x6]C[4x6]C[6]H)(C[5]C[5]O)	O[6](C[5,6,6]C[5,4x6]C[5,6]H)(C[6]O[6]CC)	C[5,6,6](C[5,4x6]C[3x6]C[4x6]C[5])(C[5,6]C[5]C[6]H)(O[6]C[6])(H){1|C<3>,1|O<1>,2|O<2>,3|H<1>,5|C<4>}	C[5,4x6](C[4x6]C[6,6]O[6,6]O[6])(C[5,6,6]C[5,6]O[6]H)(C[3x6]C[4x6]C[6]H)(C[5]C[5]O){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	O[6](C[5,6,6]C[5,4x6]C[5,6]H)(C[6]O[6]CC){1|H<1>,2|C<3>,3|C<4>}	106.5660	0.899	2	106.5660	0.809	2	106.5660	0.809	2	106.5660	0.809	2	106.5660	0.809	2	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6,6]	C[5,5,6,6]	O[6]	4:4:2:1:	4:4:2:1:	4:4:	C[5,5,6,6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:O[5,5]-2:H-1:	C[5,6,6]-4:C[6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,6,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(O[6]C[6,6])(H)	C[5,5,6,6](C[5,6,6]C[6,6]O[5,6]H)(C[5,6,6]C[5,6]O[6]H)(O[5,5]C[5,5,6])(H)	O[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]H)	C[5,6,6](C[5,5,6,6]C[5,6,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(O[6]C[6,6])(H){1|O<2>,2|H<1>,3|C<4>}	C[5,5,6,6](C[5,6,6]C[6,6]O[5,6]H)(C[5,6,6]C[5,6]O[6]H)(O[5,5]C[5,5,6])(H){2|C<4>,2|H<1>,2|O<2>}	O[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]H){3|C<4>,3|O<2>,5|H<1>}	115.2570	0.157	2	115.2570	0.025	2	115.2570	0.025	2	115.2570	0.025	2	112.8678	8.701	4	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6,6]	C[5,5,6,6]	O[6]	4:4:2:1:	4:4:4:1:	4:4:	C[5,5,6,6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,5,6]HH)(O[6]C[5,6])(H)	C[5,5,6,6](C[5,5,6]C[5,5,6]O[6]H)(C[5,6,6]C[5,6]O[6]H)(C[5,6]C[5,6]HH)(H)	O[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[5,6]O[5]2O[6])	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,5,6]HH)(O[6]C[5,6])(H){1|C<4>,3|O<2>,4|H<1>}	C[5,5,6,6](C[5,5,6]C[5,5,6]O[6]H)(C[5,6,6]C[5,6]O[6]H)(C[5,6]C[5,6]HH)(H){1|C<4>,5|H<1>}	O[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[5,6]O[5]2O[6]){2|C<3>,3|C<4>,3|H<1>}	109.2050	0.000	1	109.2050	0.000	1	109.2050	0.000	1	109.2050	0.000	1	112.8678	8.701	4	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6,6]	C[5,5,6,6]	O[6]	4:4:2:1:	4:4:4:4:	4:4:	C[5,5,6,6]-4:C[5,5,6]-4:O[6]-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[5,6]-4:C[5]-4:	C[5,6,6]-4:C[6]-4:	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,5]C[5,6]C)(O[6]C[6])(H)	C[5,5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(C[5,6]C[5]O[6]H)(C[5]C[5]HH)	O[6](C[5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]O[6]CC)	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,5]C[5,6]C)(O[6]C[6])(H){1|C<3>,1|O<2>,5|C<4>,7|H<1>}	C[5,5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(C[5,6]C[5]O[6]H)(C[5]C[5]HH){1|C<2>,1|C<3>,3|C<4>,6|H<1>}	O[6](C[5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]O[6]CC){6|C<4>}	111.7520	0.000	1	111.7520	0.000	1	111.7520	0.000	1	111.7520	0.000	1	112.8678	8.701	4	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6,6]	C[5,6,6]	O[6,6]	4:2:2:1:	4:4:3:1:	4:4:	C[5,6,6]-4:O[5,6]-2:O[6,6]-2:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:C[6]-3:Br-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]Br)(O[5,6]C[5,5,6])(O[6,6]C[5,6,6])(H)	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6,6]O[5,6]O[6,6]H)(C[6]C[6]H)(Br)	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]Br)(O[5,6]C[5,5,6])(O[6,6]C[5,6,6])(H){1|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6,6]O[5,6]O[6,6]H)(C[6]C[6]H)(Br){1|C<3>,2|C<4>,3|H<1>}	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>}	108.2090	0.000	1	108.2090	0.000	1	108.2090	0.000	1	108.2090	0.000	1	108.3910	0.066	2	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6,6]	C[5,6,6]	O[6,6]	4:4:2:4:	4:4:3:1:	4:4:	C[5,6,6]-4:C[5,6]-4:O[6,6]-2:C-4:	C[5,5,6,6]-4:C[5,6,6]-4:C[6]-3: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[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6,6]C[5,6]O[6,6]C)(C[6]C[6]O)(H)	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[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6,6]C[5,6]O[6,6]C)(C[6]C[6]O)(H){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,4|H<1>}	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>}	108.5730	0.000	1	108.5730	0.000	1	108.5730	0.000	1	108.5730	0.000	1	108.3910	0.066	2	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6,6]	C[5,6,6]	O[6]	4:3:2:2:	4:3:2:3:	4:4:	C[5,6,6]-4:C[6]-3:O[5]-2:O[6]-2:	C[5,6,6]-4:C[5,6a]-3:O[6]-2:C[6]-3:	C[5,6,6]-4:C[6]-4:	C[5,6,6](C[5,6,6]C[5,6a]C[6]O[6])(C[6]C[6,6a]O)(O[5]C[5,6a])(O[6]C[6])	C[5,6,6](C[5,6,6]C[6]O[5]O[6])(C[5,6a]C[5,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]C)	O[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]HH)	C[5,6,6](C[5,6,6]C[5,6a]C[6]O[6])(C[6]C[6,6a]O)(O[5]C[5,6a])(O[6]C[6]){1|C<4>,2|H<1>,5|C<3>}	C[5,6,6](C[5,6,6]C[6]O[5]O[6])(C[5,6a]C[5,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]C){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	O[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]HH){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	116.2900	0.000	1	116.2900	0.000	1	116.2900	0.000	1	116.2900	0.000	1	112.3496	5.437	15	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6,6]	C[5,6,6]	O[6]	4:3:3:2:	4:3:3:2:	4:4:	C[5,6,6]-4:C[6]-3:N[5]-3:O[6]-2:	C[5,6,6]-4:N[5]-3:N[6]-3:O[6]-2:	C[5,6,6]-4:C[6]-4:	C[5,6,6](C[5,6,6]N[5]N[6]O[6])(C[6]N[6]O)(N[5]C[5]H)(O[6]C[6])	C[5,6,6](C[5,6,6]C[6]N[5]O[6])(N[5]C[5]H)(N[6]C[6]C)(O[6]C[6])	O[6](C[5,6,6]C[5,6,6]C[6]N[5])(C[6]C[6]HH)	C[5,6,6](C[5,6,6]N[5]N[6]O[6])(C[6]N[6]O)(N[5]C[5]H)(O[6]C[6]){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[6]N[5]O[6])(N[5]C[5]H)(N[6]C[6]C)(O[6]C[6]){1|C<4>,1|N<3>,3|H<1>,3|O<1>}	O[6](C[5,6,6]C[5,6,6]C[6]N[5])(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,3|H<1>,3|N<3>}	114.6115	0.151	2	114.6115	0.023	2	114.6115	0.023	2	113.4235	1.900	4	112.3496	5.437	15	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6,6]	C[5,6,6]	O[6]	4:3:3:2:	4:3:3:2:	4:4:	C[5,6,6]-4:N[5]-3:N[6]-3:O[6]-2:	C[5,6,6]-4:C[6]-3:N[5]-3:O[6]-2:	C[5,6,6]-4:C[6]-4:	C[5,6,6](C[5,6,6]C[6]N[5]O[6])(N[5]C[5]H)(N[6]C[6]C)(O[6]C[6])	C[5,6,6](C[5,6,6]N[5]N[6]O[6])(C[6]N[6]O)(N[5]C[5]H)(O[6]C[6])	O[6](C[5,6,6]C[5,6,6]N[5]N[6])(C[6]C[6]HH)	C[5,6,6](C[5,6,6]C[6]N[5]O[6])(N[5]C[5]H)(N[6]C[6]C)(O[6]C[6]){1|C<4>,1|N<3>,3|H<1>,3|O<1>}	C[5,6,6](C[5,6,6]N[5]N[6]O[6])(C[6]N[6]O)(N[5]C[5]H)(O[6]C[6]){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	O[6](C[5,6,6]C[5,6,6]N[5]N[6])(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	112.2355	0.176	2	112.2355	0.031	2	112.2355	0.031	2	113.4235	1.900	4	112.3496	5.437	15	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6,6]	C[5,6,6]	O[6]	4:3:4:2:	4:4:4:4:	4:4:	C[5,6,6]-4:C[6,6]-3:C[5]-4:O[6]-2:	C[5,6,6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6,6]C[4x6]C[6])(C[5]C[5]HH)(O[6]C[6])	C[5,6,6](C[5,6,6]C[6,6]C[5]O[6])(C[5]C[5]CH)(C[6]C[6]HH)(C[6]O[6]CH)	O[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]O[6]CC)	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6,6]C[4x6]C[6])(C[5]C[5]HH)(O[6]C[6]){2|O<2>,7|C<4>,7|H<1>}	C[5,6,6](C[5,6,6]C[6,6]C[5]O[6])(C[5]C[5]CH)(C[6]C[6]HH)(C[6]O[6]CH){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	O[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]O[6]CC){1|C<3>,2|H<1>,5|C<4>}	110.4050	0.000	1	110.4050	0.000	1	110.4050	0.000	1	110.4050	0.000	1	112.3496	5.437	15	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6,6]	C[5,6,6]	O[6]	4:4:2:1:	4:4:3:1:	4:4:	C[5,5,6]-4:C[5,6,6]-4:O[6]-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:P[6]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]P[6]H)(O[6]C[5,6,6])(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(P[6]C[5,6,6]C[6a])(H)	O[6](C[5,6,6]C[5,5,6]C[5,6,6]H)2	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]P[6]H)(O[6]C[5,6,6])(H){1|C<3>,4|H<1>,5|C<4>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(P[6]C[5,6,6]C[6a])(H){2|C<3>,3|H<1>,6|C<4>}	O[6](C[5,6,6]C[5,5,6]C[5,6,6]H)2{1|P<3>,2|H<1>,8|C<4>}	113.7060	0.588	2	113.7060	0.346	2	113.7060	0.346	2	113.5543	0.242	3	112.3496	5.437	15	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6,6]	C[5,6,6]	O[6]	4:4:2:1:	4:4:3:1:	4:4:	C[5,6,6]-4:C[5,5,6]-4:O[6]-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[6]-4:	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,5,6]C[5,5]C[5,6]C)(O[6]C[6])(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(N[5,6]C[5,6]C[5])(H)	O[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[5,6]HH)	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,5,6]C[5,5]C[5,6]C)(O[6]C[6])(H){2|C<3>,3|C<4>,5|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(N[5,6]C[5,6]C[5])(H){1|N<2>,1|N<3>,3|H<1>,5|C<4>}	O[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[5,6]HH){1|H<1>,1|N<2>,1|N<3>,4|C<4>}	113.2510	0.000	1	113.2510	0.000	1	113.2510	0.000	1	113.5543	0.242	3	112.3496	5.437	15	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6,6]	C[5,6,6]	O[6]	4:4:2:1:	4:4:4:1:	4:4:	C[5,5,6]-4:C[5,6,6]-4:O[6]-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(O[6]C[6,6])(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(C[6]N[6,6]HH)(H)	O[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6]N[6,6]C[6a]O[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(O[6]C[6,6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,7|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(C[6]N[6,6]HH)(H){1|C<3>,2|C<4>,5|H<1>}	O[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6]N[6,6]C[6a]O[6]){2|H<1>,4|C<3>,4|C<4>}	110.1300	0.000	1	110.1300	0.000	1	110.1300	0.000	1	112.3803	4.119	3	112.3496	5.437	15	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6,6]	C[5,6,6]	O[6]	4:4:2:1:	4:4:4:1:	4:4:	C[5,5,6]-4:C[5,6,6]-4:O[6]-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:P[6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]P[6]H)(O[6]C[5,6,6])(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(P[6]C[5,6,6]C[6a]O)(H)	O[6](C[5,6,6]C[5,5,6]C[5,6,6]H)2	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]P[6]H)(O[6]C[5,6,6])(H){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(P[6]C[5,6,6]C[6a]O)(H){2|C<3>,3|H<1>,6|C<4>}	O[6](C[5,6,6]C[5,5,6]C[5,6,6]H)2{1|P<4>,2|H<1>,8|C<4>}	113.5055	0.801	2	113.5055	0.642	2	113.5055	0.642	2	112.3803	4.119	3	112.3496	5.437	15	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6,6]	C[5,6,6]	O[6]	4:4:3:2:	4:3:4:4:	4:4:	C[5,6,6]-4:C[5]-4:C[6]-3:O[6]-2:	C[5,6,6]-4:N[5,6]-3:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:	C[5,6,6](C[5,6,6]N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]H)(O[6]C[6])	C[5,6,6](C[5,6,6]C[5]C[6]O[6])(N[5,6]C[5,5a]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)	O[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[5,6]HH)	C[5,6,6](C[5,6,6]N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]H)(O[6]C[6]){3|C<3>,9|H<1>}	C[5,6,6](C[5,6,6]C[5]C[6]O[6])(N[5,6]C[5,5a]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|C<3>,5|H<1>}	O[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[5,6]HH){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	108.9350	0.000	1	108.9350	0.000	1	108.9350	0.000	1	108.9350	0.000	1	112.3496	5.437	15	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6,6]	C[5,6,6]	O[6]	4:4:4:2:	4:4:2:1:	4:4:	C[5,6,6]-4:C[5]-4:C[6]-4:O[6]-2:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[6]-4:	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(O[6]C[6])	C[5,6,6](C[5,6,6]C[5]C[6]O[6])(C[6,6]C[6]N[6]H)(O[5]C[5])(H)	O[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(O[6]C[6]){1|C<4>,1|N<3>,1|S<2>,6|H<1>}	C[5,6,6](C[5,6,6]C[5]C[6]O[6])(C[6,6]C[6]N[6]H)(O[5]C[5])(H){1|S<2>,1|S<4>,2|C<4>,2|O<2>,5|H<1>}	O[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH){3|C<4>,3|O<2>,5|H<1>}	108.8390	0.000	1	109.0580	0.096	2	109.0580	0.096	2	109.0580	0.096	2	112.3496	5.437	15	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6,6]	C[5,6,6]	O[6]	4:4:4:2:	4:4:2:1:	4:4:	C[5,6,6]-4:C[5]-4:C[6]-4:O[6]-2:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[6]-4:	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(O[6]C[6])	C[5,6,6](C[5,6,6]C[5]C[6]O[6])(C[6,6]C[6]N[6]H)(O[5]C[5])(H)	O[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(O[6]C[6]){1|C<4>,2|N<3>,6|H<1>}	C[5,6,6](C[5,6,6]C[5]C[6]O[6])(C[6,6]C[6]N[6]H)(O[5]C[5])(H){1|N<3>,1|S<4>,2|C<4>,2|O<2>,5|H<1>}	O[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH){3|C<4>,3|O<2>,5|H<1>}	109.2770	0.000	1	109.0580	0.096	2	109.0580	0.096	2	109.0580	0.096	2	112.3496	5.437	15	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6,6]	C[5,6]	O[6,6]	4:2:2:4:	4:4:2:3:	4:4:	C[5,6]-4:O[5,6]-2:O[6,6]-2:C-4:	C[5,6,6]-4:C[6]-4:O[5]-2:C-3:	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[5,6](C[5,6,6]O[5,6]O[6,6]C)(C[6]O[6]CO)(O[5]C[5,6])(COO)	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[5,6](C[5,6,6]O[5,6]O[6,6]C)(C[6]O[6]CO)(O[5]C[5,6])(COO){3|C<4>}	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>}	109.1310	0.000	1	109.1310	0.000	1	108.9780	0.047	2	108.9780	0.047	2	109.6813	1.669	8	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6,6]	C[5,6]	O[6,6]	4:2:2:4:	4:4:2:3:	4:4:	C[5,6]-4:O[5,6]-2:O[6,6]-2:C-4:	C[5,6,6]-4:C[6]-4:O[5]-2:C-3:	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[5,6](C[5,6,6]O[5,6]O[6,6]C)(C[6]O[6]ClC)(O[5]C[5,6])(COO)	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[5,6](C[5,6,6]O[5,6]O[6,6]C)(C[6]O[6]ClC)(O[5]C[5,6])(COO){3|C<4>}	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>}	108.8250	0.000	1	108.8250	0.000	1	108.9780	0.047	2	108.9780	0.047	2	109.6813	1.669	8	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6,6]	C[5,6]	O[6,6]	4:2:2:4:	4:4:2:4:	4:4:	C[5,6]-4:O[5,6]-2:O[6,6]-2:C-4:	C[5,6,6]-4:C[6]-4:O[5]-2:C-4:	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[5,6](C[5,6,6]O[5,6]O[6,6]C)(C[6]O[6]CH)(O[5]C[5,6])(CCHO)	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[5,6](C[5,6,6]O[5,6]O[6,6]C)(C[6]O[6]CH)(O[5]C[5,6])(CCHO){3|C<4>}	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>}	109.5880	0.000	1	109.5880	0.000	1	109.4797	0.214	3	109.4797	0.214	3	109.6813	1.669	8	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6,6]	C[5,6]	O[6,6]	4:2:2:4:	4:4:2:4:	4:4:	C[5,6]-4:O[5,6]-2:O[6,6]-2:C-4:	C[5,6,6]-4:C[6]-4:O[5]-2:C-4:	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[5,6](C[5,6,6]O[5,6]O[6,6]C)(C[6]O[6]CH)(O[5]C[5,6])(CHHO)	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[5,6](C[5,6,6]O[5,6]O[6,6]C)(C[6]O[6]CH)(O[5]C[5,6])(CHHO){3|C<4>}	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>}	109.4255	0.640	2	109.4255	0.410	2	109.4797	0.214	3	109.4797	0.214	3	109.6813	1.669	8	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6,6]	C[5,6]	O[6,6]	4:2:4:2:	4:4:4:1:	4:4:	C[5,6]-4:O[6,6]-2:C[5]-4:O[6]-2:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:	C[5,6,6](C[5,6]C[5]C[6]H)(O[6,6]C[3x6])(C[5]C[5]HH)(O[6]C[6])	C[5,6](C[5,6,6]O[6,6]C[5]O[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	O[6,6](C[5,6,6]C[5,6]C[5]O[6])(C[3x6]C[6,6]2C[6])	C[5,6,6](C[5,6]C[5]C[6]H)(O[6,6]C[3x6])(C[5]C[5]HH)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[5,6](C[5,6,6]O[6,6]C[5]O[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	O[6,6](C[5,6,6]C[5,6]C[5]O[6])(C[3x6]C[6,6]2C[6]){1|O<1>,2|C<3>,3|H<1>,6|C<4>}	112.6980	0.000	1	112.6980	0.000	1	112.6980	0.000	1	112.6980	0.000	1	109.6813	1.669	8	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6,6]	C[5,6]	O[6,6]	4:2:4:3:	4:3:3:4:	4:4:	C[5,6]-4:O[6,6]-2:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-3:C[5]-3:C-4:	C[5,6,6]-4:C[5,6,6]-4:	C[5,6,6](C[5,6]C[5]C[6]C)(O[6,6]C[5,6,6])(C[6]C[6]HH)(C[5]C[5]C)	C[5,6](C[5,6,6]O[6,6]C[5]C[6])(C[6]C[5,6]O)(C[5]C[5]O)(CH3)	O[6,6](C[5,6,6]C[5,6]C[5]C[6])2	C[5,6,6](C[5,6]C[5]C[6]C)(O[6,6]C[5,6,6])(C[6]C[6]HH)(C[5]C[5]C){1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	C[5,6](C[5,6,6]O[6,6]C[5]C[6])(C[6]C[5,6]O)(C[5]C[5]O)(CH3){1|C<3>,3|C<4>,3|H<1>}	O[6,6](C[5,6,6]C[5,6]C[5]C[6])2{4|C<3>,5|C<4>,5|H<1>}	109.6730	0.000	1	109.6730	0.000	1	109.6730	0.000	1	109.6730	0.000	1	109.6813	1.669	8	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6,6]	C[5,6]	O[6,6]	4:4:2:4:	4:4:1:1:	4:4:	C[5,6,6]-4:C[5,6]-4:O[6,6]-2:C-4:	C[5,5,6]-4:C[5,6,6]-4: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[5,6](C[5,5,6]C[5,5,6,6]O[5,6]H)(C[5,6,6]C[5,6,6]O[6,6]C)(H)2	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[5,6](C[5,5,6]C[5,5,6,6]O[5,6]H)(C[5,6,6]C[5,6,6]O[6,6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	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>}	108.6840	0.000	1	108.6840	0.000	1	108.6840	0.000	1	108.6840	0.000	1	109.6813	1.669	8	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,3x6]	O[6]	4:4:2:1:	4:4:3:3:	4:4:	C[5,3x6]-4:C[5]-4:O[6]-2:H-1:	C[5,3x6]-4:C[5,6]-4:N[5,6]-3:C[6]-3:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,3x6]C[5,3x6]N[5,6]C[6])(C[5]C[5]HH)(O[6]C[5,6])(H)	C[5,3x6](C[5,3x6]C[5,6]2C[6])(C[5,6]C[5]O[6]H)(N[5,6]C[5]C[6])(C[6]C[6]H)	O[6](C[5,6]C[5,3x6]C[5]H)(C[5,6]C[5,6]C[5]O)	C[5,6](C[5,3x6]C[5,3x6]N[5,6]C[6])(C[5]C[5]HH)(O[6]C[5,6])(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[5,3x6](C[5,3x6]C[5,6]2C[6])(C[5,6]C[5]O[6]H)(N[5,6]C[5]C[6])(C[6]C[6]H){10|H<1>,1|O<1>,2|C<3>,2|C<4>}	O[6](C[5,6]C[5,3x6]C[5]H)(C[5,6]C[5,6]C[5]O){1|C<3>,1|N<3>,3|C<4>,6|H<1>}	112.6130	0.000	1	112.6130	0.000	1	112.6130	0.000	1	112.6130	0.000	1	112.6130	0.000	1	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,5,6,6]	O[6]	4:4:2:1:	4:4:4:4:	4:4:	C[5,5,6,6]-4:C[5]-4:O[6]-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[5])(C[5]C[5]CH)(O[6]C[6])(H)	C[5,5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(C[5,6]C[5]O[6]H)(C[5]C[5]HH)	O[6](C[5,6]C[5,5,6,6]C[5]H)(C[6]O[6]CC)	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[5])(C[5]C[5]CH)(O[6]C[6])(H){1|O<2>,5|C<4>,6|H<1>}	C[5,5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(C[5,6]C[5]O[6]H)(C[5]C[5]HH){1|C<2>,1|C<3>,3|C<4>,6|H<1>}	O[6](C[5,6]C[5,5,6,6]C[5]H)(C[6]O[6]CC){1|C<2>,1|H<1>,4|C<4>}	105.8470	0.000	1	105.8470	0.000	1	105.8470	0.000	1	105.8470	0.000	1	109.0450	20.454	2	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,5,6,6]	O[6]	4:4:2:4:	4:4:4:2:	4:4:	C[5,5,6,6]-4:C[5]-4:O[6]-2:C-4:	C[5,5,6]-4:C[5,6,6]-4:C[5,6]-4:O-2:	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[5,5,6,6](C[5,5,6]C[5]C[6]O[5])(C[5,6,6]C[5,6]C[6]H)(C[5,6]C[5]O[6]C)(OH)	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[5,5,6,6](C[5,5,6]C[5]C[6]O[5])(C[5,6,6]C[5,6]C[6]H)(C[5,6]C[5]O[6]C)(OH){3|C<4>,8|H<1>}	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>}	112.2430	0.000	1	112.2430	0.000	1	112.2430	0.000	1	112.2430	0.000	1	109.0450	20.454	2	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O[6]	4:2:2:1:	4:4:4:1:	4:4:	C[5,5,6]-4:O[6]-2:N[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,6]-4:C[6,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(O[6]C[6,6])(N[5]C[5])(H)	C[5,5,6](C[5,6]C[6,6]O[5]H)(C[5,6]N[5]O[6]H)(C[5,5]C[5]2H)(H)	O[6](C[5,6]C[5,5,6]N[5]H)(C[6,6]C[6,6]C[6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(O[6]C[6,6])(N[5]C[5])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,6]C[6,6]O[5]H)(C[5,6]N[5]O[6]H)(C[5,5]C[5]2H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O[6](C[5,6]C[5,5,6]N[5]H)(C[6,6]C[6,6]C[6]H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	113.1530	0.000	1	113.1530	0.000	1	113.1530	0.000	1	113.1530	0.000	1	112.2775	4.344	11	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O[6]	4:2:2:1:	4:4:4:2:	4:4:	C[5,5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:O[5]-2:	C[5,6]-4:C[6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(O[5]C[5])(O[6]C[6])(H)	C[5,5,6](C[5,6]C[6]O[5]H)(C[5,6]O[5]O[6]H)(C[5]C[5]HH)(O[5]C[5])	O[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]CH)	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(O[5]C[5])(O[6]C[6])(H){1|C<2>,2|C<4>,2|O<2>,5|H<1>}	C[5,5,6](C[5,6]C[6]O[5]H)(C[5,6]O[5]O[6]H)(C[5]C[5]HH)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	O[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]CH){1|O<2>,2|H<1>,3|C<4>}	111.6570	0.000	1	111.6570	0.000	1	111.6570	0.000	1	111.6570	0.000	1	112.2775	4.344	11	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O[6]	4:2:2:4:	4:4:4:1:	4:4:	C[5,5,6]-4:O[5]-2:O[6]-2:C-4:	C[5,6]-4:C[5,6]-4:C[5,5]-4: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[5,5,6](C[5,6]O[5]O[6]C)(C[5,6]C[5,6]CH)(C[5,5]C[5]2H)(H)	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[5,5,6](C[5,6]O[5]O[6]C)(C[5,6]C[5,6]CH)(C[5,5]C[5]2H)(H){1|C<4>,1|O<2>,4|H<1>}	O[6](C[5,6]C[5,5,6]O[5]C)(C[6]C[5,6]HO){2|H<1>,4|C<4>}	111.7800	0.000	1	111.7800	0.000	1	111.7800	0.000	1	111.7800	0.000	1	112.2775	4.344	11	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O[6]	4:2:2:4:	4:4:4:3:	4:4:	C[5,5,6]-4:O[6]-2:O[5]-2:C-4:	C[5,5,6,6]-4:C[5,6]-4:C[5]-4:C[5]-3:	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[5,5,6](C[5,5,6,6]C[5,5,6]C[6,6]C[5])(C[5,6]O[5]O[6]C)(C[5]C[5]HH)(C[5]C[5]O)	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[5,5,6](C[5,5,6,6]C[5,5,6]C[6,6]C[5])(C[5,6]O[5]O[6]C)(C[5]C[5]HH)(C[5]C[5]O){1|N<3>,3|C<4>,8|H<1>}	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>}	115.0870	0.352	2	115.0870	0.124	2	115.0870	0.124	2	115.0870	0.124	2	112.2775	4.344	11	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O[6]	4:3:2:1:	3:4:3:4:	4:4:	C[5,5,6]-4:N[5]-3:O[6]-2:H-1:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,6]-4:C[6]-4:	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]H)(O[6]C[6])(H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]O[6]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)	O[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]HH)	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]H)(O[6]C[6])(H){2|C<4>,3|C<3>,4|H<1>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]O[6]H)(C[5,6]C[5]C[6])(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	O[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	110.3950	0.000	1	110.3950	0.000	1	110.3950	0.000	1	110.3950	0.000	1	112.2775	4.344	11	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O[6]	4:3:2:1:	4:4:4:1:	4:4:	C[5,5,6]-4:N[5]-3:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(N[5]C[5]S)(O[6]C[6])(H)	C[5,5,6](C[5,6]N[5]O[6]H)(C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(H)	O[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[5,6]HH)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(N[5]C[5]S)(O[6]C[6])(H){2|C<4>,7|H<1>}	C[5,5,6](C[5,6]N[5]O[6]H)(C[5,6]C[5,6]HH)(C[5,5]C[5]2H)(H){1|C<4>,1|S<4>,5|H<1>}	O[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[5,6]HH){1|S<4>,2|H<1>,4|C<4>}	113.0640	0.000	1	113.0640	0.000	1	113.0640	0.000	1	113.0640	0.000	1	112.2775	4.344	11	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O[6]	4:4:2:1:	3:4:3:2:	4:4:	C[5,5,6]-4:C[5]-4:O[6]-2:H-1:	N[5,6]-3:C[5,6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[6]-4:	C[5,6](C[5,5,6]N[5,6]C[5]O[5])(C[5]C[5]HH)(O[6]C[6])(H)	C[5,5,6](N[5,6]C[5,6a]C[6])(C[5,6]C[5]O[6]H)(C[5]C[5,6a]O)(O[5]C[5])	O[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)	C[5,6](C[5,5,6]N[5,6]C[5]O[5])(C[5]C[5]HH)(O[6]C[6])(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,5,6](N[5,6]C[5,6a]C[6])(C[5,6]C[5]O[6]H)(C[5]C[5,6a]O)(O[5]C[5]){1|C<4>,2|C<3>,6|H<1>}	O[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	111.7280	0.000	1	111.7280	0.000	1	111.7280	0.000	1	111.7280	0.000	1	112.2775	4.344	11	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O[6]	4:4:2:1:	4:4:4:4:	4:4:	C[5,5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5,5]-4:C[6]-4:C[5]-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(O[6]C[5,6])(H)	C[5,5,6](C[5,6]C[5]O[6]H)(C[5,5]C[5]2C)(C[6]N[5,6]HO)(C[5]O[5]HH)	O[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]N[5,6]C[5]H)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(O[6]C[5,6])(H){1|C<3>,1|N<3>,2|C<4>,2|O<2>,6|H<1>}	C[5,5,6](C[5,6]C[5]O[6]H)(C[5,5]C[5]2C)(C[6]N[5,6]HO)(C[5]O[5]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	O[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]N[5,6]C[5]H){1|C<3>,4|H<1>,5|C<4>}	112.7075	0.470	2	112.7075	0.221	2	112.7075	0.221	2	112.7075	0.221	2	112.2775	4.344	11	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,5,6]	O[6]	4:4:2:2:	4:4:3:3:	4:2:	C[5,5,6]-4:C[5]-4:O[6]-2:O-2:	C[5,6]-4:C[5,6]-4:C[5]-3:C[5]-3:	C[5,6]-4:O[6]-2:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]N[5]CH)(O[6]O[6])(OH)	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]O[6]O)(C[5]C[5,6]O)(C[5]N[5]O)	O[6](C[5,6]C[5,5,6]C[5]O)(O[6]C[6])	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]N[5]CH)(O[6]O[6])(OH){1|H<1>,2|O<1>,4|C<4>}	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]O[6]O)(C[5]C[5,6]O)(C[5]N[5]O){1|C<3>,1|O<2>,2|H<1>,6|C<4>}	O[6](C[5,6]C[5,5,6]C[5]O)(O[6]C[6]){1|H<1>,1|N<3>,2|C<3>,4|C<4>}	107.6870	0.000	1	107.6870	0.000	1	107.6870	0.000	1	107.6870	0.000	1	112.2775	4.344	11	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6,6]	O[6]	4:3:2:2:	4:3:4:1:	4:4:	C[5,6,6]-4:C[6a]-3:O[5]-2:O[6]-2:	C[5,6]-4:C[5,6]-3:C[6,6]-4:H-1:	C[5,6]-4:B[6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(O[5]C[5])(O[6]B[6])	C[5,6,6](C[5,6]C[6a]O[5]O[6])(C[5,6]C[5]P[6])(C[6,6]C[6]2H)(H)	O[6](C[5,6]C[5,6,6]C[6a]O[5])(B[6]C[6a]2C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(O[5]C[5])(O[6]B[6]){1|P<4>,2|C<4>,3|H<1>,5|C<3>}	C[5,6,6](C[5,6]C[6a]O[5]O[6])(C[5,6]C[5]P[6])(C[6,6]C[6]2H)(H){1|B<4>,1|C<4>,4|H<1>,5|C<3>}	O[6](C[5,6]C[5,6,6]C[6a]O[5])(B[6]C[6a]2C[6]){1|C<4>,3|H<1>,8|C<3>}	115.4860	0.000	1	115.4860	0.000	1	115.4860	0.000	1	115.4860	0.000	1	111.9590	10.518	6	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6,6]	O[6]	4:3:4:2:	4:4:4:1:	4:4:	C[5,6,6]-4:C[6a]-3:C[5]-4:O[6]-2:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(C[5]O[5]HH)(O[6]C[6])	C[5,6,6](C[5,6]C[6a]C[5]O[6])(C[6,6]C[6,6a]C[6]H)(C[5,6]N[6]O[5]H)(H)	O[6](C[5,6]C[5,6,6]C[6a]C[5])(C[6]C[6a]C[6]H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(C[5]O[5]HH)(O[6]C[6]){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[5,6,6](C[5,6]C[6a]C[5]O[6])(C[6,6]C[6,6a]C[6]H)(C[5,6]N[6]O[5]H)(H){1|C<4>,4|C<3>,5|H<1>}	O[6](C[5,6]C[5,6,6]C[6a]C[5])(C[6]C[6a]C[6]H){1|O<2>,2|C<4>,4|C<3>,5|H<1>}	113.7460	0.000	1	113.7460	0.000	1	113.7460	0.000	1	113.7460	0.000	1	111.9590	10.518	6	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6,6]	O[6]	4:4:2:2:	3:4:4:3:	4:4:	C[5,6,6]-4:C[5]-4:O[6]-2:O-2:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:C[6]-3:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5]N[5]HH)(O[6]C[6])(OH)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]O)(C[5,6]C[6]N[5]H)(C[6]C[6]H)	O[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6,6a]HH)	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5]N[5]HH)(O[6]C[6])(OH){2|C<4>,3|C<3>,4|H<1>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]O)(C[5,6]C[6]N[5]H)(C[6]C[6]H){2|C<3>,3|C<4>,6|H<1>}	O[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6,6a]HH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	108.9215	1.689	2	109.1370	1.566	3	109.1370	1.566	3	109.1370	1.566	3	111.9590	10.518	6	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6,6]	O[6]	4:4:2:2:	3:4:4:3:	4:4:	C[5,6,6]-4:C[5]-4:O[6]-2:O-2:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:C[6]-3:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5]N[5]HH)(O[6]C[6])(OH)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]O)(C[5,6]C[6]N[5]H)(C[6]C[6]H)	O[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6,6a]HH)	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5]N[5]HH)(O[6]C[6])(OH){2|C<4>,3|C<3>,5|H<1>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]O)(C[5,6]C[6]N[5]H)(C[6]C[6]H){2|C<3>,3|C<4>,7|H<1>}	O[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6,6a]HH){1|C<4>,1|N<4>,2|H<1>,3|C<3>}	109.5680	0.000	1	109.1370	1.566	3	109.1370	1.566	3	109.1370	1.566	3	111.9590	10.518	6	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6,6]	O[6]	4:4:2:4:	4:4:4:3:	4:4:	C[5,6,6]-4:C[5]-4:O[6]-2:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:C[5]-3:	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[5,6,6](C[5,6]C[5]O[6]C)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[5]O[5]O)	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[5,6,6](C[5,6]C[5]O[6]C)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[5]O[5]O){1|O<2>,2|C<4>,4|H<1>}	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>}	115.1110	0.000	1	115.1110	0.000	1	115.1110	0.000	1	115.1110	0.000	1	111.9590	10.518	6	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	3:4:2:1:	3:4:4:3:	4:4:	C[5,6a]-3:C[5,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:C-3:	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]C)(O[6]C[6])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]O[6]H)(C[5]C[5,6a]CH)(CHO)	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]HO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]C)(O[6]C[6])(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]O[6]H)(C[5]C[5,6a]CH)(CHO){1|C<4>,1|H<1>,4|C<3>}	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]HO){1|C<4>,5|C<3>}	109.7980	0.000	1	109.7980	0.000	1	109.7980	0.000	1	109.7980	0.000	1	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	3:4:2:1:	4:2:4:4:	4:4:	C[5,6a]-3:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:O[5]-2:C[6]-4:C-4:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]C)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,6a]O[6]H)(O[5]C[5,6a])(C[6]C[6]HH)(CH3)	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]CH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]C)(O[6]C[6])(H){1|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6a]O[6]H)(O[5]C[5,6a])(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,2|H<1>}	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]CH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	114.7130	0.000	1	114.7130	0.000	1	114.7130	0.000	1	114.7130	0.000	1	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	3:4:2:1:	4:4:4:1:	4:4:	C[5,6a]-3:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,6a]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(H)	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]CO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(O[6]C[6])(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6a]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(H){1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]CO){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	113.3210	0.235	2	113.3210	0.055	2	113.7700	0.632	3	113.7700	0.632	3	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	3:4:2:1:	4:4:4:1:	4:4:	C[5,6a]-3:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,6a]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(H)	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(O[6]C[6])(H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6a]O[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(H){1|H<1>,2|C<4>,4|C<3>}	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HO){2|C<3>,2|H<1>,3|C<4>}	114.6680	0.000	1	114.6680	0.000	1	113.7700	0.632	3	113.7700	0.632	3	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	3:4:2:4:	4:3:2:1:	4:4:	C[5,6a]-3:C[5,6]-4:O[6]-2:C-4:	C[5,6]-4:N[5]-3:O[6]-2: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[5,6](C[5,6]C[5,6a]O[6]C)(N[5]C[5,6a]C)(O[6]C[6])(H)	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[5,6](C[5,6]C[5,6a]O[6]C)(N[5]C[5,6a]C)(O[6]C[6])(H){1|C<4>,2|C<3>,2|H<1>}	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>}	113.6150	0.000	1	113.6150	0.000	1	113.6150	0.000	1	113.6150	0.000	1	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	3:4:2:4:	4:3:3:1:	4:4:	C[5,6a]-3:C[5,6]-4:O[6]-2:C-4:	C[5,6]-4:N[5]-3:N[6]-3: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[5,6](C[5,6]C[5,6a]O[6]C)(N[5]C[5,6a]C)(N[6]N[6,6]S)(H)	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[5,6](C[5,6]C[5,6a]O[6]C)(N[5]C[5,6a]C)(N[6]N[6,6]S)(H){2|C<3>,2|C<4>}	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>}	110.5090	0.949	4	110.5090	0.901	4	110.5090	0.901	4	110.5090	0.901	4	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	3:4:2:4:	4:4:1:1:	4:4:	N[5,5]-3:C[5,6]-4:O[6]-2:C-4:	C[5,6,6]-4:C[5,6]-4: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[5,6](C[5,6,6]C[5,5,6]C[6,6]C)(C[5,6]N[5,5]O[6]C)(H)2	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[5,6](C[5,6,6]C[5,5,6]C[6,6]C)(C[5,6]N[5,5]O[6]C)(H)2{1|O<2>,2|H<1>,3|C<4>}	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>}	109.3585	0.153	2	109.3585	0.024	2	109.3585	0.024	2	109.3585	0.024	2	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	3:4:3:2:	4:3:4:1:	4:4:	C[5,6a]-3:C[5,6]-4:C[5]-3:O[6]-2:	C[5,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]N[5]O)(O[6]C[6])	C[5,6](C[5,6]C[5,6a]C[5]O[6])(C[5,6]C[5]C[6])(C[5]C[5]HH)(H)	O[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]CH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]N[5]O)(O[6]C[6]){1|Br<1>,3|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6a]C[5]O[6])(C[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	O[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]CH){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	111.0550	0.000	1	111.0550	0.000	1	111.0550	0.000	1	111.0550	0.000	1	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:2:2:1:	3:4:4:1:	4:4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(O[6]C[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]O[5]O[6]H)(C[6]C[6]HH)(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(O[6]C[6])(H){1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]O[5]O[6]H)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,2|O<1>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	113.3615	2.091	2	113.3615	4.372	2	113.3615	4.372	2	113.3615	4.372	2	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:2:2:1:	4:4:1:1:	4:4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,3x6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5,3x6]HH)(O[5]C[5,6,6])(O[6]C[6])(H)	C[5,6](C[5,3x6]C[5,6,6]C[6,6]C[6])(C[5,6]O[5]O[6]H)(H)2	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)	C[5,6](C[5,6]C[5,3x6]HH)(O[5]C[5,6,6])(O[6]C[6])(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,3x6]C[5,6,6]C[6,6]C[6])(C[5,6]O[5]O[6]H)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	110.0860	0.000	1	110.0860	0.000	1	110.0860	0.000	1	110.0860	0.000	1	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:2:2:1:	4:4:2:1:	4:4:	C[5,6]-4:N[5]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[6]O[5]H)(N[5]C[5])(O[6]C[6])(H)	C[5,6](C[5,6]N[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H)	O[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]CH)	C[5,6](C[5,6]C[6]O[5]H)(N[5]C[5])(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]N[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]CH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	110.7470	0.000	1	110.7470	0.000	1	110.7470	0.000	1	113.9399	3.106	41	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:2:2:1:	4:4:2:1:	4:4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5,5,6]HO)(O[5]C[5,5])(O[6]C[6])(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]O[5]O[6]H)(OH)(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)	C[5,6](C[5,6]C[5,5,6]HO)(O[5]C[5,5])(O[6]C[6])(H){1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]O[5]O[6]H)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH){2|C<4>,2|H<1>,2|O<2>}	111.1190	0.000	1	111.1190	0.000	1	111.1190	0.000	1	113.9399	3.106	41	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:2:2:1:	4:4:2:1:	4:4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-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])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(O[5]C[5])(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH)	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH){2|C<4>,2|H<1>,2|O<2>}	114.5610	0.000	1	114.3953	0.192	26	114.4652	0.269	32	113.9399	3.106	41	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:2:2:1:	4:4:2:1:	4:4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-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])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(O[5]C[5])(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH)	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(H){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(O[5]C[5])(H){1|O<2>,2|C<4>,3|H<1>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH){2|C<4>,2|H<1>,2|O<2>}	115.3280	0.000	1	114.3953	0.192	26	114.4652	0.269	32	113.9399	3.106	41	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:2:2:1:	4:4:2:1:	4:4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-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])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(O[5]C[5])(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH)	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(H){1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH){2|C<4>,2|H<1>,2|O<2>}	114.3496	0.409	24	114.3953	0.192	26	114.4652	0.269	32	113.9399	3.106	41	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:2:2:1:	4:4:2:1:	4:4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-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])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(O[5]C[5])(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C[5]H)	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(H){1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C[5]H){3|C<4>,3|H<1>,3|O<2>}	115.0990	0.000	1	115.0990	0.000	1	114.4652	0.269	32	113.9399	3.106	41	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:2:2:1:	4:4:2:1:	4:4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-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])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(O[5]C[5])(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C[5a]H)	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C[5a]H){1|C<3>,1|S<2>,2|C<4>,2|H<1>,2|O<2>}	113.9480	0.000	1	113.9480	0.000	1	114.4652	0.269	32	113.9399	3.106	41	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:2:2:1:	4:4:2:1:	4:4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-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])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(O[5]C[5])(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C[6]H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	114.6690	0.000	1	115.1417	0.622	3	114.4652	0.269	32	113.9399	3.106	41	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:2:2:1:	4:4:2:1:	4:4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-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])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(O[5]C[5])(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(H){1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C[6]H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	114.7040	0.000	1	115.1417	0.622	3	114.4652	0.269	32	113.9399	3.106	41	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:2:2:1:	4:4:2:1:	4:4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-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])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(O[5]C[5])(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(H){1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C[6]H){3|C<4>,3|H<1>,3|O<2>}	116.0520	0.000	1	115.1417	0.622	3	114.4652	0.269	32	113.9399	3.106	41	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:2:2:1:	4:4:2:1:	4:4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-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])(H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(O[5]C[5])(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C[6a]H)	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C[6a]H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	114.1350	0.000	1	114.1350	0.000	1	114.4652	0.269	32	113.9399	3.106	41	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:2:2:1:	4:4:2:1:	4:4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[6]O[5]H)(O[5]C[5])(O[6]C[6])(H)	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)	C[5,6](C[5,6]C[6]O[5]H)(O[5]C[5])(O[6]C[6])(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH){2|C<4>,2|H<1>,2|O<2>}	112.7560	0.000	1	112.6500	0.022	2	112.6500	0.022	2	113.9399	3.106	41	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:2:2:1:	4:4:2:1:	4:4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[6]O[5]H)(O[5]C[5])(O[6]C[6])(H)	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)	C[5,6](C[5,6]C[6]O[5]H)(O[5]C[5])(O[6]C[6])(H){1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH){2|C<4>,2|H<1>,2|O<2>}	112.5440	0.000	1	112.6500	0.022	2	112.6500	0.022	2	113.9399	3.106	41	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:2:2:1:	4:4:2:1:	4:4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:P[6]-4:	C[5,6](C[5,6]C[6]O[5]H)(O[5]C[5])(O[6]P[6])(H)	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H)	O[6](C[5,6]C[5,6]O[5]H)(P[6]C[6a]C[6]O)	C[5,6](C[5,6]C[6]O[5]H)(O[5]C[5])(O[6]P[6])(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H){1|P<4>,2|C<4>,2|H<1>}	O[6](C[5,6]C[5,6]O[5]H)(P[6]C[6a]C[6]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	113.5360	0.000	1	113.5360	0.000	1	113.5360	0.000	1	113.9399	3.106	41	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:2:2:1:	4:4:2:1:	4:4:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(O[6]C[5,6])(O[5]C[5])(H)	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[5]CO)(O[6]C[5,6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)	C[5,6](C[5,6]C[5]O[6]H)(O[6]C[5,6])(O[5]C[5])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[5]CO)(O[6]C[5,6])(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H){1|C<3>,2|H<1>,3|C<4>,3|O<2>}	109.3825	0.011	2	109.3825	0.000	2	109.3825	0.000	2	113.9399	3.106	41	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:2:2:1:	4:4:2:1:	4:4:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[5,6]-4:C[6]-4:N[5]-2:H-1:	C[5,6]-4:C[6,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(O[6]C[6,6])(O[5]C[5])(H)	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6,6]HO)(N[5]C[5])(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)	C[5,6](C[5,6]C[6]N[5]H)(O[6]C[6,6])(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6,6]HO)(N[5]C[5])(H){1|H<1>,1|O<2>,2|C<4>}	O[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H){1|C<3>,1|C<4>,1|N<2>,2|O<2>,4|H<1>}	119.2300	0.000	1	119.2300	0.000	1	119.2300	0.000	1	113.9399	3.106	41	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:2:2:1:	4:4:2:1:	4:4:	C[5,6]-4:O[6]-2:S[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[6]O[5]H)(O[6]C[6])(S[5]C[5])(H)	C[5,6](C[5,6]O[6]S[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	O[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]CH)	C[5,6](C[5,6]C[6]O[5]H)(O[6]C[6])(S[5]C[5])(H){1|N<2>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]O[6]S[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	O[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]CH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	109.9520	0.000	1	109.9520	0.000	1	109.9520	0.000	1	113.9399	3.106	41	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:2:2:1:	4:4:3:1:	4:4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H)	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6]HH)(C[5]C[5]C)(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6]HH)(C[5]C[5]C)(H){1|O<1>,2|C<4>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	114.2970	0.000	1	114.2970	0.000	1	116.6210	10.802	2	116.6210	10.802	2	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:2:2:1:	4:4:3:1:	4:4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5]C[6]H)(O[5]N[5])(O[6]C[6])(H)	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6]HO)(C[5]N[5]C)(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)	C[5,6](C[5,6]C[5]C[6]H)(O[5]N[5])(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6]HO)(C[5]N[5]C)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	118.9450	0.000	1	118.9450	0.000	1	116.6210	10.802	2	116.6210	10.802	2	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:2:2:1:	4:4:4:1:	4:4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5,5]C[6]H)(O[5]C[5,5])(O[6]C[6])(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]O[5]O[6]H)(C[6]C[6]HH)(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)	C[5,6](C[5,6]C[5,5]C[6]H)(O[5]C[5,5])(O[6]C[6])(H){1|O<2>,2|C<4>,6|H<1>}	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]O[5]O[6]H)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH){3|C<4>,3|H<1>}	118.3720	0.000	1	118.3720	0.000	1	118.3720	0.000	1	113.9990	13.061	7	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:2:2:1:	4:4:4:1:	4:4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5,6]2H)(O[5]C[5,6])(O[6]C[6])(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH)	C[5,6](C[5,6]C[5,6]2H)(O[5]C[5,6])(O[6]C[6])(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]H)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH){1|O<2>,2|H<1>,3|C<4>}	110.9860	0.000	1	110.9860	0.000	1	110.9860	0.000	1	113.9990	13.061	7	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:2:2:1:	4:4:4:1:	4:4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(O[6]C[6])(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5]O[6]H)(C[6]C[6]HH)(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)	C[5,6](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(O[6]C[6])(H){3|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5]O[6]H)(C[6]C[6]HH)(H){3|C<4>,5|H<1>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH){3|C<4>,3|H<1>}	117.4490	0.000	1	117.4490	0.000	1	117.4490	0.000	1	113.9990	13.061	7	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:2:2:1:	4:4:4:1:	4:4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H)	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H){1|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,3|H<1>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH){3|C<4>,3|H<1>}	117.5830	0.000	1	113.6990	11.351	3	113.6990	11.351	3	113.9990	13.061	7	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:2:2:1:	4:4:4:1:	4:4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H)	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H){1|C<4>,2|C<3>,6|H<1>}	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,2|C<4>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH){1|H<1>,1|O<1>,3|C<4>}	111.9480	0.000	1	113.6990	11.351	3	113.6990	11.351	3	113.9990	13.061	7	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:2:2:1:	4:4:4:1:	4:4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H)	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H){3|C<3>,6|H<1>}	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH){1|H<1>,1|O<1>,3|C<4>}	111.5660	0.000	1	113.6990	11.351	3	113.6990	11.351	3	113.9990	13.061	7	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:2:2:1:	4:4:4:1:	4:4:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H)	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[5,6]HH)(C[5]C[5]2H)(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])(H){1|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[5,6]HH)(C[5]C[5]2H)(H){1|C<3>,1|C<4>,2|H<1>,4|O<2>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH){1|H<1>,2|O<2>,3|C<4>}	110.0890	0.000	1	110.0890	0.000	1	110.0890	0.000	1	113.9990	13.061	7	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:2:2:4:	4:4:2:1:	4:4:	C[5,6]-4:O[5]-2:O[6]-2:C-4:	C[5,6]-4:C[5,6]-4:O[5]-2: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[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]C)(O[5]B[5])(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]B[5])(O[6]C[6])(CHHO){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]C)(O[5]B[5])(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|O<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>}	113.4820	0.000	1	113.4820	0.000	1	113.7294	1.223	5	113.7294	1.223	5	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:2:2:4:	4:4:2:1:	4:4:	C[5,6]-4:O[5]-2:O[6]-2:C-4:	C[5,6]-4:C[5,6]-4:O[5]-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[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]C)(O[5]C[5])(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[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]C)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	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>}	112.1190	0.000	1	112.1190	0.000	1	113.7294	1.223	5	113.7294	1.223	5	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:2:2:4:	4:4:2:1:	4:4:	C[5,6]-4:O[5]-2:O[6]-2:C-4:	C[5,6]-4:C[5,6]-4:O[5]-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])(CHHO)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]C)(O[5]C[5])(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])(CHHO){1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5]O[6]C)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	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>}	114.3487	0.737	3	114.3487	0.542	3	113.7294	1.223	5	113.7294	1.223	5	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:2:2:4:	4:4:4:1:	4:4:	C[5,6]-4:O[5]-2:O[6]-2:C-4:	C[5,6]-4:C[5,6]-4:C-4: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[5,6](C[5,6]C[5]C[6]C)(C[5,6]O[5]O[6]C)(CH3)(H)	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[5,6](C[5,6]C[5]C[6]C)(C[5,6]O[5]O[6]C)(CH3)(H){1|C<4>,1|N<2>,2|C<2>}	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>}	109.0480	0.000	1	109.0480	0.000	1	109.0480	0.000	1	109.0480	0.000	1	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:2:2:4:	4:4:4:2:	4:4:	C[5,6]-4:O[5]-2:O[6]-2:C-4:	C[5,6]-4:C[5,6]-4:C-4:O-2:	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[5,6](C[5,6]C[5]C[6]H)(C[5,6]O[5]O[6]C)(CC[5]HH)(OH)	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[5,6](C[5,6]C[5]C[6]H)(C[5,6]O[5]O[6]C)(CC[5]HH)(OH){2|H<1>,3|C<4>}	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>}	110.8410	0.000	1	110.8410	0.000	1	110.8410	0.000	1	110.8410	0.000	1	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:2:3:2:	4:4:4:1:	4:4:	C[5,6]-4:O[6]-2:C[5]-3:O[5]-2:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(O[6]C[5,6])(C[5]C[5]O)(O[5]C[5])	C[5,6](C[5,6]C[5]O[5]O[6])(C[5,6]C[5,6]C[5]H)(C[5]C[5]CC)(H)	O[6](C[5,6]C[5,6]C[5]O[5])(C[5,6]C[5,6]C[5]H)	C[5,6](C[5,6]C[5,6]C[5]H)(O[6]C[5,6])(C[5]C[5]O)(O[5]C[5]){1|C<3>,3|H<1>,8|C<4>}	C[5,6](C[5,6]C[5]O[5]O[6])(C[5,6]C[5,6]C[5]H)(C[5]C[5]CC)(H){1|O<2>,2|H<1>,2|O<1>,4|C<4>}	O[6](C[5,6]C[5,6]C[5]O[5])(C[5,6]C[5,6]C[5]H){1|C<3>,1|O<1>,1|O<2>,3|H<1>,5|C<4>}	111.6533	1.011	3	111.5018	0.773	4	111.5018	0.773	4	111.5018	0.773	4	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:2:3:2:	4:4:4:1:	4:4:	C[5,6]-4:O[6]-2:C[5]-3:O[5]-2:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(O[6]C[5,6])(C[5]C[5]O)(O[5]C[5])	C[5,6](C[5,6]C[5]O[5]O[6])(C[5,6]C[5,6]C[5]H)(C[5]C[5]CC)(H)	O[6](C[5,6]C[5,6]C[5]O[5])(C[5,6]C[5,6]C[5]H)	C[5,6](C[5,6]C[5,6]C[5]H)(O[6]C[5,6])(C[5]C[5]O)(O[5]C[5]){2|C<3>,2|H<1>,7|C<4>}	C[5,6](C[5,6]C[5]O[5]O[6])(C[5,6]C[5,6]C[5]H)(C[5]C[5]CC)(H){1|C<3>,1|O<2>,2|H<1>,2|O<1>,3|C<4>}	O[6](C[5,6]C[5,6]C[5]O[5])(C[5,6]C[5,6]C[5]H){1|O<1>,1|O<2>,2|C<3>,3|H<1>,4|C<4>}	111.0470	0.000	1	111.5018	0.773	4	111.5018	0.773	4	111.5018	0.773	4	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:2:4:2:	3:4:4:1:	4:4:	C[5,6]-4:O[5]-2:C[4]-4:O[6]-2:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[4]C[4]2O)(O[6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[4]O[5]O[6])(C[6]C[6]HH)(H)	O[6](C[5,6]C[5,6]C[4]O[5])(C[6]C[6]HH)	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[4]C[4]2O)(O[6]C[6]){2|C<3>,2|C<4>,8|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[4]O[5]O[6])(C[6]C[6]HH)(H){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	O[6](C[5,6]C[5,6]C[4]O[5])(C[6]C[6]HH){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	113.8620	0.000	1	113.8620	0.000	1	113.8620	0.000	1	113.8620	0.000	1	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:3:2:1:	3:4:2:4:	4:4:	C[5,6]-4:N[5]-3:O[6]-2:H-1:	C[5,6a]-3:C[5,6]-4:O[6]-2:C-4:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5,6a]O[6]C)(N[5]C[5,6a]C)(O[6]C[6])(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)	O[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)	C[5,6](C[5,6]C[5,6a]O[6]C)(N[5]C[5,6a]C)(O[6]C[6])(H){1|C<4>,2|C<3>,2|H<1>}	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>}	O[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	113.6230	0.000	1	113.6230	0.000	1	113.6230	0.000	1	113.6230	0.000	1	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:3:2:1:	3:4:4:2:	4:3:	C[5,6]-4:N[5]-3:O[6]-2:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:N[6]-3:	C[5,6](C[5,6]C[6,6a]C[5]O)(N[5]C[5]C)(O[6]N[6])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5]O[6]H)(C[5]C[5]HH)(OC)	O[6](C[5,6]C[5,6]N[5]H)(N[6]C[6,6a]C)	C[5,6](C[5,6]C[6,6a]C[5]O)(N[5]C[5]C)(O[6]N[6])(H){1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5]O[6]H)(C[5]C[5]HH)(OC){1|N<3>,2|H<1>,4|C<3>}	O[6](C[5,6]C[5,6]N[5]H)(N[6]C[6,6a]C){1|O<2>,2|C<4>,3|C<3>}	107.1590	0.000	1	107.1590	0.000	1	107.1590	0.000	1	107.1590	0.000	1	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:3:2:1:	4:3:2:1:	4:4:	C[5,6]-4:N[5]-3:O[6]-2:H-1:	C[5,6]-4:N[5]-3:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]N[5]O[6]H)(N[5]C[5]H)(O[6]C[6])(H)	C[5,6](C[5,6]N[5]O[6]H)(N[5]C[5]H)(O[6]C[6])(H)	O[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)	C[5,6](C[5,6]N[5]O[6]H)(N[5]C[5]H)(O[6]C[6])(H){1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,6]N[5]O[6]H)(N[5]C[5]H)(O[6]C[6])(H){1|C<3>,1|C<4>,3|H<1>}	O[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	114.2845	2.463	2	114.2845	6.066	2	114.2845	6.066	2	114.2845	6.066	2	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:3:2:1:	4:4:1:1:	4:3:	C[5,6]-4:C[5]-3:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:N[6]-3:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]H)(O[6]N[6])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]O[6]H)(H)2	O[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]H)(O[6]N[6])(H){2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]O[6]H)(H)2{1|C<3>,1|N<3>,3|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C){1|C<4>,2|C<3>,4|H<1>}	107.4220	0.000	1	107.4220	0.000	1	107.4220	0.000	1	107.4220	0.000	1	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:3:2:1:	4:4:2:1:	4:4:	C[5,6]-4:N[5]-3:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[6]O[5]H)(N[5]S[5]C)(O[6]C[6])(H)	C[5,6](C[5,6]N[5]O[6]H)(C[6]C[6]HH)(O[5]S[5])(H)	O[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)	C[5,6](C[5,6]C[6]O[5]H)(N[5]S[5]C)(O[6]C[6])(H){1|C<4>,2|O<1>,4|H<1>}	C[5,6](C[5,6]N[5]O[6]H)(C[6]C[6]HH)(O[5]S[5])(H){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	O[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,1|S<4>,3|H<1>}	113.9395	0.101	2	113.9395	0.010	2	113.9395	0.010	2	113.9395	0.010	2	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:3:2:1:	4:4:4:1:	4:4:	C[5,6]-4:C[5]-3:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]N)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]C[6]CH)(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]N)(O[6]C[6])(H){2|H<1>,7|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]C[6]CH)(H){1|N<2>,4|C<4>,4|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH){1|N<2>,3|C<4>,3|H<1>}	111.1410	0.000	1	111.1410	0.000	1	111.1410	0.000	1	111.1410	0.000	1	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:3:2:1:	4:4:4:4:	4:4:	C[5,6]-4:C[5]-3:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]H)(O[6]C[5,6])(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]C[6]CH)(CH3)	O[6](C[5,6]C[5]C[6]O[5])(C[5,6]C[5,6]C[5]H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]H)(O[6]C[5,6])(H){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]C[6]CH)(CH3){3|C<4>,5|H<1>}	O[6](C[5,6]C[5]C[6]O[5])(C[5,6]C[5,6]C[5]H){3|C<3>,3|C<4>,4|H<1>}	115.2340	0.267	2	115.2340	0.071	2	115.2340	0.071	2	115.2340	0.071	2	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:3:2:4:	4:4:4:1:	4:4:	C[5,6]-4:C[5]-3:O[6]-2:C-4:	C[5,6]-4:C[5]-4:C[6]-4: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[5,6](C[5,6]C[5]O[6]C)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	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[5,6](C[5,6]C[5]O[6]C)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	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>}	111.0370	0.083	2	111.0370	0.007	2	111.0370	0.007	2	111.0370	0.007	2	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:3:3:2:	4:3:4:4:	4:4:	C[5,6]-4:N[5]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[5,6a]-3:C[6]-4:C-4:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(C[6a]C[6a]2)(O[6]C[6])	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)	O[6](C[5,6]C[5,6]C[6a]N[5])(C[6]C[6]HH)	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,4|C<3>,6|H<1>}	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>}	O[6](C[5,6]C[5,6]C[6a]N[5])(C[6]C[6]HH){2|H<1>,3|C<4>,4|C<3>}	110.9920	0.000	1	110.9920	0.000	1	110.9920	0.000	1	110.9920	0.000	1	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:3:4:2:	4:3:4:1:	4:4:	C[5,6]-4:C[6a]-3:C[5]-4:O[6]-2:	C[5,6]-4:C[5a,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6a]C[6a]2)(C[5]S[5]HH)(O[6]C[6])	C[5,6](C[5,6]C[6a]C[5]O[6])(C[5a,6]C[5a,6]C[5a])(C[5]S[5]HH)(H)	O[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[5a,6]HH)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6a]C[6a]2)(C[5]S[5]HH)(O[6]C[6]){4|C<3>,6|H<1>}	C[5,6](C[5,6]C[6a]C[5]O[6])(C[5a,6]C[5a,6]C[5a])(C[5]S[5]HH)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	O[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[5a,6]HH){1|C<4>,1|O<2>,1|S<2>,3|C<3>,3|H<1>}	108.2200	0.000	1	108.2200	0.000	1	108.2200	0.000	1	108.2200	0.000	1	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	3:3:4:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6a]-3:N[5,6]-3:C[5,6]-4:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5,6a]N[5,6]H)(C[5]C[5,6a]HH)(O[6]C[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5,6]C[5]O[6]H)(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)	C[5,6](C[5,6]C[5,6a]N[5,6]H)(C[5]C[5,6a]HH)(O[6]C[6])(H){2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5,6]C[5]O[6]H)(H){1|C<4>,1|N<2>,1|N<3>,3|C<3>,3|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	110.2523	1.345	3	110.0045	1.451	4	110.0045	1.451	4	110.0045	1.451	4	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	3:3:4:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6a]-3:N[5,6]-3:C[5,6]-4:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5,6a]N[5,6]H)(C[5]C[5,6a]HH)(O[6]C[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5,6]C[5]O[6]H)(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)	C[5,6](C[5,6]C[5,6a]N[5,6]H)(C[5]C[5,6a]HH)(O[6]C[6])(H){2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5,6]C[5]O[6]H)(H){1|Se<1>,1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	109.2610	0.000	1	110.0045	1.451	4	110.0045	1.451	4	110.0045	1.451	4	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	3:4:2:1:	4:4:	C[5,6]-4:C[5,5]-4:O[6]-2:H-1:	C[5a,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5a,6]O[5]H)(C[5,5]C[5,5]O[5]H)(O[6]C[6])(H)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,5]O[6]H)(O[5]C[5,5])(H)	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[5a,6]HH)	C[5,6](C[5,6]C[5a,6]O[5]H)(C[5,5]C[5,5]O[5]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,5]O[6]H)(O[5]C[5,5])(H){1|C<3>,1|C<4>,2|H<1>,3|O<2>}	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[5a,6]HH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	111.9890	0.000	1	111.9890	0.000	1	111.9890	0.000	1	111.9890	0.000	1	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	3:4:4:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]H)(C[5]C[5]CH)(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HO)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]H)(C[5]C[5]CH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HO){2|C<3>,2|C<4>,3|H<1>}	111.1905	0.767	2	111.1905	0.589	2	111.1905	0.589	2	110.9337	0.492	3	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	3:4:4:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	N[5,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]N[5,6]C[5]H)(C[5]N[5]HH)(O[6]C[6])(H)	C[5,6](N[5,6]C[5,6]N[5])(C[5,6]C[5]O[6]H)(C[5]N[5]HH)(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)	C[5,6](C[5,6]N[5,6]C[5]H)(C[5]N[5]HH)(O[6]C[6])(H){1|C<3>,1|N<2>,6|H<1>}	C[5,6](N[5,6]C[5,6]N[5])(C[5,6]C[5]O[6]H)(C[5]N[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH){1|C<3>,1|C<4>,1|N<3>,1|N<4>,3|H<1>}	110.4200	0.000	1	110.4200	0.000	1	110.4200	0.000	1	110.9337	0.492	3	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:2:2:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[5]CO)(O[6]C[5,6])(H)	C[5,6](C[5,6]C[5]O[6]H)(O[6]C[5,6])(O[5]C[5])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[5]CO)(O[6]C[5,6])(H){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(O[6]C[5,6])(O[5]C[5])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H){1|C<3>,2|H<1>,3|C<4>,3|O<2>}	110.1695	0.202	2	110.1695	0.041	2	110.1695	0.041	2	110.1695	0.041	2	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:3:2:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-3:O[5]-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]HH)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]H)(O[5]C[5])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]H)(O[5]C[5])(H){2|C<4>,4|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	110.1410	0.000	1	110.1410	0.000	1	110.1410	0.000	1	110.1410	0.000	1	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:3:3:4:	4:4:	C[5,6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]2O[5])(O[6]C[6])(H)	C[5,6](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(C[6]C[6]O)(CH3)	O[6](C[5,6]C[5,6]2H)(C[6]C[6]CH)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]2O[5])(O[6]C[6])(H){2|O<1>,4|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(C[6]C[6]O)(CH3){1|H<1>,4|C<4>}	O[6](C[5,6]C[5,6]2H)(C[6]C[6]CH){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	114.5780	0.000	2	114.5780	0.000	2	114.5780	0.000	2	114.5780	0.000	2	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:3:4:1:	4:4:	C[5,6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5,6]O[6]H)(C[5,6]C[6]N[5]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,6]O[6]H)(N[5]C[5,6]C)(C[6]O[6]HH)(H)	O[6](C[5,6]C[5,6]2H)(C[6]C[6a]O[6]H)	C[5,6](C[5,6]C[5,6]O[6]H)(C[5,6]C[6]N[5]H)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]O[6]H)(N[5]C[5,6]C)(C[6]O[6]HH)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[5,6]C[5,6]2H)(C[6]C[6a]O[6]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	112.0840	0.397	2	112.0840	0.158	2	112.0840	0.158	2	112.0840	0.158	2	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:1:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]C[6]C)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]O[6]H)(H)2	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]C[6]C)(O[6]C[6])(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]O[6]H)(H)2{1|O<2>,2|H<1>,4|C<4>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO){1|O<2>,3|H<1>,4|C<4>}	109.9145	0.033	2	109.9145	0.001	2	109.9145	0.001	2	109.9145	0.001	2	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:N[6]-3:	C[5,6](C[5,6]C[5,6]HO)(C[5]N[6a]O[5]H)(O[6]N[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]O[5]C)(OH)(H)	O[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)	C[5,6](C[5,6]C[5,6]HO)(C[5]N[6a]O[5]H)(O[6]N[6])(H){2|C<3>,3|C<4>}	C[5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]O[5]C)(OH)(H){2|N<3>,3|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C){1|C<4>,1|N<3>,2|O<2>,4|H<1>}	109.3800	0.000	2	109.3800	0.000	2	109.3800	0.000	2	109.3800	0.000	2	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6,6])(H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6,6]HO)(O[5]C[5,5])(H)	O[6](C[5,6]C[5,5]C[5,6]H)(C[6,6]C[6,6]C[6]H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6,6])(H){1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6,6]HO)(O[5]C[5,5])(H){2|C<4>,2|O<2>,3|H<1>}	O[6](C[5,6]C[5,5]C[5,6]H)(C[6,6]C[6,6]C[6]H){3|C<4>,3|O<2>,5|H<1>}	116.0360	0.000	1	116.0360	0.000	1	116.0360	0.000	1	111.1879	2.225	74	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H)	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HO)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H){2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H){1|C<4>,2|O<2>,4|H<1>}	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HO){2|C<4>,2|O<2>,4|H<1>}	112.7081	0.260	7	112.7081	0.068	7	111.7235	0.981	19	111.1879	2.225	74	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]CH)(O[5]C[5,5])(H)	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]CC)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H){2|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]CH)(O[5]C[5,5])(H){1|C<4>,2|H<1>,2|O<2>}	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]CC){2|C<4>,2|H<1>,2|O<2>}	109.4490	0.000	1	109.4490	0.000	1	111.7235	0.981	19	111.1879	2.225	74	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H)	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]CC)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]CC){2|C<4>,2|H<1>,2|O<2>}	111.2060	0.000	1	111.3215	0.369	10	111.7235	0.981	19	111.1879	2.225	74	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H)	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]CC)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]CC){2|C<4>,2|H<1>,2|O<2>}	111.4423	0.455	6	111.3215	0.369	10	111.7235	0.981	19	111.1879	2.225	74	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H)	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]CC)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H){2|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H){1|H<1>,2|C<4>,2|O<2>}	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]CC){2|C<4>,2|H<1>,2|O<2>}	111.1183	1.016	3	111.3215	0.369	10	111.7235	0.981	19	111.1879	2.225	74	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H)	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]HH)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]C[6])(H){1|C<4>,2|O<2>,5|H<1>}	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]O[6]HH)(O[5]C[5,5])(H){1|C<4>,2|H<1>,2|O<2>}	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]HH){2|C<4>,2|H<1>,2|O<2>}	111.1250	0.000	1	111.1250	0.000	1	111.7235	0.981	19	111.1879	2.225	74	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:P[6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]P[6])(H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6a]O[6]H)(O[5]C[5,5])(H)	O[6](C[5,6]C[5,5]C[5,6]H)(P[6]O[6]CO)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]P[6])(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6a]O[6]H)(O[5]C[5,5])(H){1|P<4>,2|C<3>,2|H<1>,2|O<2>}	O[6](C[5,6]C[5,5]C[5,6]H)(P[6]O[6]CO){2|C<4>,2|H<1>,2|O<2>}	110.5420	0.000	1	110.5420	0.000	1	110.6362	0.975	4	111.1879	2.225	74	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:P[6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]P[6])(H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6a]O[6]H)(O[5]C[5,5])(H)	O[6](C[5,6]C[5,5]C[5,6]H)(P[6]O[6]NO)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]P[6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6a]O[6]H)(O[5]C[5,5])(H){1|P<4>,2|C<3>,2|H<1>,2|O<2>}	O[6](C[5,6]C[5,5]C[5,6]H)(P[6]O[6]NO){2|C<4>,2|H<1>,2|O<2>}	111.7070	0.000	1	111.7070	0.000	1	110.6362	0.975	4	111.1879	2.225	74	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:P[6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]P[6])(H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6a]O[6]H)(O[5]C[5,5])(H)	O[6](C[5,6]C[5,5]C[5,6]H)(P[6]O[6]OO)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(O[6]P[6])(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>,3|O<2>}	C[5,6](C[5,6]C[5,5]O[6]H)(C[6]C[6a]O[6]H)(O[5]C[5,5])(H){1|P<4>,2|C<3>,2|H<1>,2|O<2>}	O[6](C[5,6]C[5,5]C[5,6]H)(P[6]O[6]OO){2|C<4>,2|H<1>,2|O<2>}	110.1480	1.137	2	110.1480	1.293	2	110.6362	0.975	4	111.1879	2.225	74	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5,6]O[6]H)(C[5,6]C[6]S[5]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,6]O[6]H)(C[6]O[6]HH)(S[5]C[5,6])(H)	O[6](C[5,6]C[5,6]2H)(C[6]C[6a]O[6]H)	C[5,6](C[5,6]C[5,6]O[6]H)(C[5,6]C[6]S[5]H)(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]O[6]H)(C[6]O[6]HH)(S[5]C[5,6])(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[5,6]C[5,6]2H)(C[6]C[6a]O[6]H){1|O<2>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	111.3820	0.075	2	111.3820	0.006	2	111.3820	0.006	2	111.1879	2.225	74	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5,5,6]HO)(C[5]C[5,5]HO)(O[6]C[6])(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]O[6]H)(OH)(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)	C[5,6](C[5,6]C[5,5,6]HO)(C[5]C[5,5]HO)(O[6]C[6])(H){1|C<4>,1|N<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]O[6]H)(OH)(H){1|C<4>,1|N<3>,2|O<2>,3|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH){2|C<4>,3|H<1>,3|O<2>}	111.5770	0.000	1	111.5770	0.000	1	112.0200	0.345	5	111.1879	2.225	74	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5,5,6]HO)(C[5]N[5,5]HH)(O[6]C[6])(H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5]O[6]H)(OC)(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)	C[5,6](C[5,6]C[5,5,6]HO)(C[5]N[5,5]HH)(O[6]C[6])(H){1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5]O[6]H)(OC)(H){1|O<2>,2|C<4>,3|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	112.1308	0.615	4	112.1308	0.378	4	112.0200	0.345	5	111.1879	2.225	74	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5,6,6]HO)(C[5]N[5,6]HH)(O[6]C[6])(H)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5]O[6]H)(OC)(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)	C[5,6](C[5,6]C[5,6,6]HO)(C[5]N[5,6]HH)(O[6]C[6])(H){2|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5]O[6]H)(OC)(H){1|C<3>,2|C<4>,3|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	107.7110	0.000	1	107.7110	0.000	1	107.7110	0.000	1	111.1879	2.225	74	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]C[6]O)(C[5,6]C[5]O[6]H)(OH)(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(O[6]C[6])(H){1|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[5,6]C[5]O[6]H)(OH)(H){1|C<4>,1|O<2>,5|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH){1|O<2>,2|C<4>,5|H<1>}	108.4530	0.000	1	108.4530	0.000	1	109.2929	1.298	9	111.1879	2.225	74	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[5]N[5]HH)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]N[5]H)(OC)(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)	C[5,6](C[5,6]C[5,6]HO)(C[5]N[5]HH)(O[6]C[6])(H){2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]N[5]H)(OC)(H){1|C<3>,2|C<4>,3|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	108.9700	0.914	4	108.9700	0.836	4	109.2929	1.298	9	111.1879	2.225	74	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]HH)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]O[5]H)(OC)(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]HH)(O[6]C[6])(H){1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]O[5]H)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO){1|C<4>,3|O<2>,4|H<1>}	109.8257	1.369	4	109.8257	1.874	4	109.2929	1.298	9	111.1879	2.225	74	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)(O[6]C[5,6])(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]O[6]H)(O[5]C[5])(H)	O[6](C[5,6]C[5,6]C[5]O[5])(C[5,6]C[5,6]C[5]H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)(O[6]C[5,6])(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]O[6]H)(O[5]C[5])(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	O[6](C[5,6]C[5,6]C[5]O[5])(C[5,6]C[5,6]C[5]H){1|C<3>,1|O<1>,1|O<2>,3|H<1>,5|C<4>}	110.1610	0.419	3	110.1077	0.129	4	110.1077	0.129	4	111.1879	2.225	74	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)(O[6]C[5,6])(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]O[6]H)(O[5]C[5])(H)	O[6](C[5,6]C[5,6]C[5]O[5])(C[5,6]C[5,6]C[5]H)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)(O[6]C[5,6])(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]O[6]H)(O[5]C[5])(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	O[6](C[5,6]C[5,6]C[5]O[5])(C[5,6]C[5,6]C[5]H){1|O<1>,1|O<2>,2|C<3>,3|H<1>,4|C<4>}	109.9480	0.000	1	110.1077	0.129	4	110.1077	0.129	4	111.1879	2.225	74	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[6a]O[5]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[5]O[5]CC)(O[6]C[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[6a]O[5]H)(O[6]C[6])(H){1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]O[6]H)(C[5]O[5]CC)(O[6]C[6])(H){1|C<3>,1|C<4>,3|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	111.8640	0.000	1	111.8640	0.000	1	113.6040	6.055	2	111.1879	2.225	74	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[5]O[5]CC)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[6a]O[5]H)(O[6]C[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)	C[5,6](C[5,6]C[5]O[6]H)(C[5]O[5]CC)(O[6]C[6])(H){1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[6a]O[5]H)(O[6]C[6])(H){1|C<4>,2|H<1>,4|C<3>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	115.3440	0.000	1	115.3440	0.000	1	113.6040	6.055	2	111.1879	2.225	74	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(O[6]C[6,6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(O[6]C[6,6])(H){1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H){1|C<3>,2|C<4>,3|O<2>,5|H<1>}	111.8767	0.750	3	111.8767	0.562	3	112.7190	3.213	4	111.1879	2.225	74	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]C[6,6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6]HO)(O[5]C[5])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]C[6,6])(H){1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6]HO)(O[5]C[5])(H){2|C<4>,2|O<2>,3|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H){3|C<4>,3|O<2>,5|H<1>}	115.2460	0.000	1	115.2460	0.000	1	112.7190	3.213	4	111.1879	2.225	74	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]HH)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]HH)(O[6]C[6])(H){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H){1|O<2>,2|C<4>,4|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH){1|O<2>,2|C<4>,5|H<1>}	112.3490	0.000	1	112.3490	0.000	1	111.0962	0.442	17	111.1879	2.225	74	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]HH)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]CH)(O[5]C[5,5])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]HH)(O[6]C[6])(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]CH)(O[5]C[5,5])(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	111.3000	0.000	1	111.3000	0.000	1	111.0962	0.442	17	111.1879	2.225	74	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-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]CN)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]CH)(O[5]C[5])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CN)(O[6]C[6])(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]CH)(O[5]C[5])(H){1|N<3>,1|O<1>,2|C<4>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	110.4170	0.000	1	110.4170	0.000	1	111.0962	0.442	17	111.1879	2.225	74	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-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]CN)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CN)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|N<2>,1|O<1>,2|C<4>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H){1|H<1>,1|N<2>,1|O<2>,2|C<4>,3|C<3>}	110.9960	1.557	2	110.9960	2.424	2	111.0962	0.442	17	111.1879	2.225	74	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-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]CO)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CO)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	110.5350	0.000	1	110.5350	0.000	1	111.0962	0.442	17	111.1879	2.225	74	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-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]HH)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<2>,2|C<4>,4|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH){2|C<4>,2|O<2>,4|H<1>}	110.6150	0.000	1	110.6150	0.000	1	111.0962	0.442	17	111.1879	2.225	74	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-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]HN)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[5]O[6]H)(O[5]C[5])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HN)(O[6]C[6])(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[5]O[6]H)(O[5]C[5])(H){1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	110.8280	0.000	1	110.8280	0.000	1	111.0962	0.442	17	111.1879	2.225	74	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-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]HN)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HN)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|N<2>,2|C<4>,2|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H){1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	111.7810	0.000	1	111.7810	0.000	1	111.0962	0.442	17	111.1879	2.225	74	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-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]HO)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	111.1547	0.306	3	110.9678	0.132	5	111.0962	0.442	17	111.1879	2.225	74	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-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]HO)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]C[6])(H){1|C<3>,1|O<2>,1|S<2>,4|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	110.4910	0.000	1	110.9678	0.132	5	111.0962	0.442	17	111.1879	2.225	74	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-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]HO)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]C[6])(H){1|C<3>,1|O<2>,5|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,3|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	110.8840	0.000	1	110.9678	0.132	5	111.0962	0.442	17	111.1879	2.225	74	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-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]HO)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]C[6])(H){1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC){2|C<4>,2|H<1>,2|O<2>}	111.7480	0.000	1	111.7480	0.000	1	111.0962	0.442	17	111.1879	2.225	74	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]O)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]O)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>,3|O<2>}	111.1160	0.656	2	111.1160	0.431	2	111.0962	0.442	17	111.1879	2.225	74	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:P[6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]P[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	O[6](C[5,6]C[5,6]C[5]H)(P[6]O[6]NO)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]P[6])(H){1|O<1>,1|O<2>,2|N<3>,3|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|N<3>,1|O<2>,1|P<4>,2|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(P[6]O[6]NO){2|C<4>,2|H<1>,2|O<2>}	110.5655	0.139	2	110.5655	0.019	2	110.7880	0.536	5	111.1879	2.225	74	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:P[6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]P[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	O[6](C[5,6]C[5,6]C[5]H)(P[6]O[6]OO)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]P[6])(H){1|N<3>,1|O<2>,2|O<1>,3|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|N<3>,1|O<2>,1|P<4>,2|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(P[6]O[6]OO){2|C<4>,2|H<1>,2|O<2>}	110.9363	0.990	3	110.9363	0.980	3	110.7880	0.536	5	111.1879	2.225	74	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:Si[6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]Si[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H)	O[6](C[5,6]C[5,6]C[5]H)(Si[6]O[6]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(O[6]Si[6])(H){1|O<2>,1|S<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|Si<4>,1|O<2>,1|S<2>,2|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(Si[6]O[6]CC){2|C<4>,2|H<1>,2|O<2>}	111.2770	0.000	1	111.2770	0.000	1	111.2770	0.000	1	111.1879	2.225	74	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:2:2:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6,6]-4:	C[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]HH)(O[6]C[6,6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6]HH)(O[5]C[5])(OC)	O[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)	C[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]HH)(O[6]C[6,6])(H){1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6]HH)(O[5]C[5])(OC){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H){1|C<3>,2|C<4>,3|O<2>,5|H<1>}	111.1040	0.000	1	111.1040	0.000	1	111.1040	0.000	1	111.4175	0.197	2	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:2:2:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]HH)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HH)(O[5]C[5])(OC)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)	C[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]HH)(O[6]C[6])(H){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HH)(O[5]C[5])(OC){2|C<4>,5|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO){2|C<4>,2|O<2>,4|H<1>}	111.7310	0.000	1	111.7310	0.000	1	111.7310	0.000	1	111.4175	0.197	2	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:3:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|O<1>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,4|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	112.5060	0.000	1	112.5060	0.000	1	112.2612	0.767	9	112.2612	0.767	9	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:3:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HO)(N[5]C[5]H)(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HO)(N[5]C[5]H)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	114.3100	0.000	1	114.3100	0.000	1	112.2612	0.767	9	112.2612	0.767	9	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:3:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(N[5]C[5]C)(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(N[5]C[5]C)(H){1|C<4>,1|O<2>,3|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	112.2810	0.000	1	111.9336	0.188	7	112.2612	0.767	9	112.2612	0.767	9	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:3:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(N[5]C[5]C)(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(O[6]C[6])(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	111.9230	0.000	1	111.9336	0.188	7	112.2612	0.767	9	112.2612	0.767	9	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:3:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(N[5]C[5]C)(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(O[6]C[6])(H){1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(N[5]C[5]C)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	111.8662	0.496	5	111.9336	0.188	7	112.2612	0.767	9	112.2612	0.767	9	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:3:3:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:N[5]-3:C-3:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]CH)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(N[5]C[5]C)(CNO)	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC)	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]CH)(O[6]C[6])(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(N[5]C[5]C)(CNO){1|H<1>,1|O<1>,2|C<4>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	110.0150	0.000	1	110.0150	0.000	1	110.0150	0.000	1	110.0150	0.000	1	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:4:1:	4:4:	C[5,5,6]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6]C[5]C[6]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,5,6]O[6]H)(C[5]C[5]HH)(C[6]O[6]CC)(H)	O[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]O[6]CC)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6]C[5]C[6]H)(O[6]C[6])(H){2|O<2>,6|H<1>,7|C<4>}	C[5,6](C[5,6]C[5,5,6]O[6]H)(C[5]C[5]HH)(C[6]O[6]CC)(H){2|H<1>,3|C<4>}	O[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]O[6]CC){1|H<1>,5|C<4>}	108.1830	0.000	1	108.1830	0.000	1	108.1830	0.000	1	111.1242	1.176	26	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:4:1:	4:4:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[5]C[6]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,5]O[6]H)(C[5]C[5,5]CH)(C[6]C[6]HH)(H)	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[5]C[6]H)(O[6]C[6])(H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[5,6](C[5,6]C[5,5]O[6]H)(C[5]C[5,5]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH){1|C<3>,3|C<4>,4|H<1>}	112.8260	0.000	1	112.8260	0.000	1	112.8260	0.000	1	111.1242	1.176	26	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:4:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(O[6]C[5,6])(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]C[6]CH)(H)	O[6](C[5,6]C[5]C[6]O[5])(C[5,6]C[5,6]C[5]H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(O[6]C[5,6])(H){1|C<3>,1|H<1>,1|O<2>,6|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]C[6]CH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	O[6](C[5,6]C[5]C[6]O[5])(C[5,6]C[5,6]C[5]H){1|O<2>,5|C<4>,6|H<1>}	112.6160	0.000	1	111.8115	1.294	2	111.8115	1.294	2	111.1242	1.176	26	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:4:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(O[6]C[5,6])(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]C[6]CH)(H)	O[6](C[5,6]C[5]C[6]O[5])(C[5,6]C[5,6]C[5]H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(O[6]C[5,6])(H){1|H<1>,1|O<2>,2|C<3>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]C[6]CH)(H){2|C<3>,2|C<4>,6|H<1>}	O[6](C[5,6]C[5]C[6]O[5])(C[5,6]C[5,6]C[5]H){2|C<3>,3|C<4>,6|H<1>}	111.0070	0.000	1	111.8115	1.294	2	111.8115	1.294	2	111.1242	1.176	26	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:4:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(O[6]C[6])(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]O[6]CH)(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(O[6]C[6])(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]O[6]CH)(H){3|C<4>,5|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H){2|C<3>,3|C<4>,3|H<1>}	111.3077	0.802	6	111.3077	0.644	6	111.3077	0.644	6	111.1242	1.176	26	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:4:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(O[6]C[5,6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]CC)(C[6]C[6]CH)(H)	O[6](C[5,6]C[5]C[6]O[5])(C[5,6]C[5,6]C[5]H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(O[6]C[5,6])(H){1|H<1>,1|O<2>,7|C<4>}	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]CC)(C[6]C[6]CH)(H){3|C<4>,4|H<1>}	O[6](C[5,6]C[5]C[6]O[5])(C[5,6]C[5,6]C[5]H){1|C<3>,4|C<4>,7|H<1>}	111.4670	0.000	2	111.4670	0.000	2	111.4670	0.000	2	111.1242	1.176	26	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:4:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CC)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]HH)(C[6]O[6]CC)(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CC)(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]HH)(C[6]O[6]CC)(H){2|H<1>,3|C<4>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H){1|H<1>,2|C<3>,5|C<4>}	111.5410	0.000	1	111.5410	0.000	1	110.8556	0.714	13	111.1242	1.176	26	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:4:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC){1|H<1>,1|O<2>,4|C<4>}	111.5510	0.000	1	110.4423	1.049	3	110.8556	0.714	13	111.1242	1.176	26	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:4:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(O[6]C[6])(H){1|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(H){1|H<1>,1|O<2>,3|C<4>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC){1|H<1>,1|O<2>,4|C<4>}	109.8880	0.505	2	110.4423	1.049	3	110.8556	0.714	13	111.1242	1.176	26	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:4:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(O[6]C[6])(H){1|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC){1|O<2>,2|H<1>,3|C<4>}	110.7215	0.620	8	110.7215	0.385	8	110.8556	0.714	13	111.1242	1.176	26	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:4:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CC)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]HH)(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CC)(O[6]C[6])(H){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]HH)(H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	112.4830	0.000	1	112.4830	0.000	1	110.8556	0.714	13	111.1242	1.176	26	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:1:	4:4:4:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5]-4:S[6]-4:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5]S[6]H)(C[5]N[6a]O[5]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[5]O[5]CH)(S[6]C[6]OO)(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)	C[5,6](C[5,6]C[5]S[6]H)(C[5]N[6a]O[5]H)(O[6]C[6])(H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[5]O[5]CH)(S[6]C[6]OO)(H){1|C<4>,1|N<3>,3|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,1|S<4>,4|H<1>}	112.6930	0.000	1	112.6930	0.000	1	112.6930	0.000	1	111.1242	1.176	26	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:2:	3:4:4:3:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:O-2:	C[6,6a]-3:C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]CH)(O[6]C[6])(OH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]O)(C[5]C[5]HH)(COO)	O[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6a]HH)	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]CH)(O[6]C[6])(OH){2|C<3>,6|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]O)(C[5]C[5]HH)(COO){2|C<3>,2|C<4>,4|H<1>}	O[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6a]HH){1|H<1>,3|C<3>,3|C<4>}	108.9540	0.000	1	108.9540	0.000	1	108.9540	0.000	1	108.9540	0.000	1	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:2:	4:4:1:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:O-2:	C[5,3x6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,3x6]HH)(C[5]C[5,6]HH)(O[6]C[5,6])(OH)	C[5,6](C[5,3x6]C[5,3x6]C[5,6]C[6])(C[5,6]C[5]O[6]O)(H)2	O[6](C[5,6]C[5,3x6]C[5]H)(C[5,6]C[5,6]C[5]O)	C[5,6](C[5,6]C[5,3x6]HH)(C[5]C[5,6]HH)(O[6]C[5,6])(OH){1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,3x6]C[5,3x6]C[5,6]C[6])(C[5,6]C[5]O[6]O)(H)2{1|C<4>,1|N<3>,3|C<3>,5|H<1>}	O[6](C[5,6]C[5,3x6]C[5]H)(C[5,6]C[5,6]C[5]O){1|C<3>,1|N<3>,3|C<4>,6|H<1>}	106.7020	0.000	1	106.7020	0.000	1	106.7020	0.000	1	108.5250	6.647	2	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:2:	4:4:1:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:O-2:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]HO)(O[6]C[6,6])(OH)	C[5,6](C[5,6,6]C[3x6]C[5]C[6])(C[5,6]C[5]O[6]O)(H)2	O[6](C[5,6]C[5,6]C[5]O)(C[6,6]C[3x6]C[6]H)	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]HO)(O[6]C[6,6])(OH){1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6,6]C[3x6]C[5]C[6])(C[5,6]C[5]O[6]O)(H)2{2|O<2>,4|C<4>,4|H<1>}	O[6](C[5,6]C[5,6]C[5]O)(C[6,6]C[3x6]C[6]H){1|O<2>,4|C<4>,6|H<1>}	110.3480	0.000	1	110.3480	0.000	1	110.3480	0.000	1	108.5250	6.647	2	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:2:	4:4:3:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:O-2:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CC)(O[6]C[6])(OC)	C[5,6](C[5,6]C[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]H)(H)	O[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CC)(O[6]C[6])(OC){1|C<4>,6|H<1>}	C[5,6](C[5,6]C[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]H)(H){1|C<3>,2|C<4>,3|H<1>}	O[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH){2|C<4>,3|C<3>,3|H<1>}	113.3850	0.000	1	113.3850	0.000	1	113.1440	0.096	7	113.1440	0.096	7	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:2:	4:4:3:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:O-2:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(O[6]C[6])(OC)	C[5,6](C[5,6]C[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]H)(H)	O[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(O[6]C[6])(OC){1|C<4>,6|H<1>}	C[5,6](C[5,6]C[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]H)(H){1|C<2>,1|C<4>,4|H<1>}	O[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH){1|C<2>,1|C<4>,2|C<3>,4|H<1>}	113.1810	0.000	1	112.9765	0.024	4	113.1440	0.096	7	113.1440	0.096	7	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:2:	4:4:3:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:O-2:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(O[6]C[6])(OC)	C[5,6](C[5,6]C[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]H)(H)	O[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(O[6]C[6])(OC){1|C<4>,6|H<1>}	C[5,6](C[5,6]C[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]H)(H){1|C<3>,1|C<4>,4|H<1>}	O[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH){1|C<4>,3|C<3>,4|H<1>}	112.8595	0.033	2	112.9765	0.024	4	113.1440	0.096	7	113.1440	0.096	7	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:2:	4:4:3:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:O-2:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(O[6]C[6])(OC)	C[5,6](C[5,6]C[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]H)(H)	O[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(O[6]C[6])(OC){1|C<4>,6|H<1>}	C[5,6](C[5,6]C[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]H)(H){2|C<4>,4|H<1>}	O[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	113.0060	0.000	1	112.9765	0.024	4	113.1440	0.096	7	113.1440	0.096	7	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:2:	4:4:3:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:O-2:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HN)(O[6]C[6])(OC)	C[5,6](C[5,6]C[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]H)(H)	O[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HN)(O[6]C[6])(OC){1|C<4>,6|H<1>}	C[5,6](C[5,6]C[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]H)(H){1|C<4>,1|N<3>,4|H<1>}	O[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	113.7060	0.000	1	113.7060	0.000	1	113.1440	0.096	7	113.1440	0.096	7	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:2:	4:4:3:1:	4:4:	C[5,6]-4:C[5]-4:O[6]-2:O-2:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HS)(O[6]C[6])(OC)	C[5,6](C[5,6]C[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]H)(H)	O[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HS)(O[6]C[6])(OC){1|C<4>,6|H<1>}	C[5,6](C[5,6]C[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]H)(H){1|C<4>,1|S<4>,4|H<1>}	O[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	113.0110	0.000	1	113.0110	0.000	1	113.1440	0.096	7	113.1440	0.096	7	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:4:	3:4:3:4:	4:3:	C[5,6]-4:C[5]-4:O[6]-2:C-4:	C[6,6a]-3:C[5,6]-4:C[5]-3:C-4:	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[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]C)(C[5]C[5]H)(CH3)	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[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>}	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>}	108.4350	0.000	1	108.4350	0.000	1	108.4350	0.000	1	108.4350	0.000	1	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	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[5]-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[5,6](C[5,6]C[5]O[6]C)(C[6]C[6]ClH)(O[5]C[5])(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[5,6](C[5,6]C[5]O[6]C)(C[6]C[6]ClH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	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>}	109.7510	0.000	1	109.7510	0.000	1	109.7510	0.000	1	109.7510	0.000	1	111.9351	4.647	236	111.6597	6.309	344
474	474	622	6:SP3_SP3_SP3	C[5,6]	C[5,6]	O[6]	4:4:2:4:	4:4:4:3:	4:4:	C[5,5]-4:C[5,6]-4:O[6]-2:C-4:	C[5,6]-4:C[5]-4:C[6]-4:N-3:	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[5,6](C[5,6]C[5,5]O[6]C)(C[5]C[5]HH)(C[6]O[6]CH)(NCH)	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[5,6](C[5,6]C[5,5]O[6]C)(C[5]C[5]HH)(C[6]O[6]CH)(NCH){1|O<1>,1|O<2>,2|C<4>}	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>}	106.1860	0.000	1	106.1860	0.000	1	106.1860	0.000	1	106.1860	0.000	1	111.9351	4.647	236	111.6597	6.309	344
474	474	643	0:SP3_SP2_SP3	C[3x5,6]	C[5,5,6,6]	C[6a]	4:3:2:3:	4:4:4:1:	4:3:3:	C[5,5,6,6]-4:N[3x5,6]-3:O[5,6]-2:C[6a]-3:	C[3x5,6]-4:C[5,6,6]-4:C[5,6]-4:H-1:	C[3x5,6]-4:C[6a]-3:C[6a]-3:	C[3x5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(N[3x5,6]C[5,5,6,6]C[5,6])(O[5,6]C[5,6])(C[6a]C[6a]2)	C[5,5,6,6](C[3x5,6]N[3x5,6]O[5,6]C[6a])(C[5,6,6]C[5,5,6,6]HH)(C[5,6]C[5,6]HH)(H)	C[6a](C[3x5,6]C[5,5,6,6]N[3x5,6]O[5,6])(C[6a]C[6a]H)2	C[3x5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(N[3x5,6]C[5,5,6,6]C[5,6])(O[5,6]C[5,6])(C[6a]C[6a]2){1|C<4>,1|O<1>,2|C<3>,8|H<1>}	C[5,5,6,6](C[3x5,6]N[3x5,6]O[5,6]C[6a])(C[5,6,6]C[5,5,6,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[3x5,6]C[5,5,6,6]N[3x5,6]O[5,6])(C[6a]C[6a]H)2{2|C<3>,3|H<1>,4|C<4>}	119.4440	0.000	1	119.4440	0.000	1	119.4440	0.000	1	119.4440	0.000	1	117.3757	3.209	3	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[3x5,6]	C[5,5,6,6]	C[6a]	4:4:3:3:	4:4:3:1:	4:3:3:	C[4,5,5,6,6]-4:C[5,5,6,6]-4:C[5,5]-3:C[6a]-3:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-3:H-1:	C[3x5,6]-4:C[6a]-3:C[6a]-3:	C[3x5,6](C[4,5,5,6,6]C[4,5,5,6,6]C[4,5,6]C[6,6a])(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]O)(C[6a]C[6a]2)	C[5,5,6,6](C[3x5,6]C[4,5,5,6,6]C[5,5]C[6a])(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H)	C[6a](C[3x5,6]C[4,5,5,6,6]C[5,5,6,6]C[5,5])(C[6a]C[6a]H)2	C[3x5,6](C[4,5,5,6,6]C[4,5,5,6,6]C[4,5,6]C[6,6a])(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]O)(C[6a]C[6a]2){1|C<4>,1|O<1>,4|H<1>,7|C<3>}	C[5,5,6,6](C[3x5,6]C[4,5,5,6,6]C[5,5]C[6a])(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H){1|H<1>,2|C<4>,2|O<1>,4|C<3>}	C[6a](C[3x5,6]C[4,5,5,6,6]C[5,5,6,6]C[5,5])(C[6a]C[6a]H)2{1|O<1>,3|C<3>,3|H<1>,4|C<4>}	116.3415	0.006	2	116.3415	0.000	2	116.3415	0.000	2	116.3415	0.000	2	117.3757	3.209	3	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[3x5,6]	C[5,5,6]	C[6a]	4:4:4:3:	4:4:3:3:	4:3:3:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:	C[3x5,6]-4:C[3x5,6]-4:C[6]-3:C[6]-3:	C[3x5,6]-4:C[6a]-3:C[6a]-3:	C[3x5,6](C[5,5,6]C[3x5,6]C[6]2)(C[5,5,6]C[5,5,6]C[5]H)2(C[6a]C[6a]2)	C[5,5,6](C[3x5,6]C[5,5,6]2C[6a])(C[3x5,6]C[5,5,6]2Cl)(C[6]C[6]H)2	C[6a](C[3x5,6]C[5,5,6]3)(C[6a]C[6a]H)2	C[3x5,6](C[5,5,6]C[3x5,6]C[6]2)(C[5,5,6]C[5,5,6]C[5]H)2(C[6a]C[6a]2){10|H<1>,1|Cl<1>,2|C<4>,4|C<3>}	C[5,5,6](C[3x5,6]C[5,5,6]2C[6a])(C[3x5,6]C[5,5,6]2Cl)(C[6]C[6]H)2{3|C<3>,4|C<4>,6|H<1>}	C[6a](C[3x5,6]C[5,5,6]3)(C[6a]C[6a]H)2{3|C<3>,4|H<1>,5|C<4>}	113.5730	0.000	1	113.5730	0.000	1	113.5730	0.000	1	113.5730	0.000	1	116.4723	6.489	3	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[3x5,6]	C[5,5,6]	C[6a]	4:4:4:3:	4:4:4:1:	4:3:3:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:	C[3x5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[3x5,6]-4:C[6a]-3:C[6a]-3:	C[3x5,6](C[5,5,6]C[3x5,6]C[6]2)(C[5,5,6]C[5,5,6]C[5]H)2(C[6a]C[6a]2)	C[5,5,6](C[3x5,6]C[5,5,6]2C[6a])(C[5,5,6]C[3x5,6]C[5]H)(C[5]C[5]HH)(H)	C[6a](C[3x5,6]C[5,5,6]3)(C[6a]C[6a]H)2	C[3x5,6](C[5,5,6]C[3x5,6]C[6]2)(C[5,5,6]C[5,5,6]C[5]H)2(C[6a]C[6a]2){10|H<1>,1|Cl<1>,2|C<4>,4|C<3>}	C[5,5,6](C[3x5,6]C[5,5,6]2C[6a])(C[5,5,6]C[3x5,6]C[5]H)(C[5]C[5]HH)(H){1|Cl<1>,2|C<4>,4|C<3>,5|H<1>}	C[6a](C[3x5,6]C[5,5,6]3)(C[6a]C[6a]H)2{3|C<3>,4|H<1>,5|C<4>}	117.9220	0.607	2	117.9220	0.368	2	117.9220	0.368	2	117.9220	0.368	2	116.4723	6.489	3	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,3x6]	C[5,6,6]	C[6a]	3:4:4:3:	4:4:4:1:	4:3:3:	C[6,6,6a]-3:C[5,6,6]-4:C[5,6,6]-4:C[6a]-3:	C[5,3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,3x6]-4:C[6a]-3:C[6a]-3:	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6,6a])(C[5,6,6]C[5,6,6]C[5]H)2(C[6a]C[6a]2)	C[5,6,6](C[5,3x6]C[6,6,6a]C[5,6,6]C[6a])(C[5,6,6]C[5,3x6]C[5]H)(C[5]C[5]HH)(H)	C[6a](C[5,3x6]C[6,6,6a]C[5,6,6]2)(C[6a]C[6a]H)2	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6,6a])(C[5,6,6]C[5,6,6]C[5]H)2(C[6a]C[6a]2){1|N<3>,3|C<4>,4|C<3>,8|H<1>}	C[5,6,6](C[5,3x6]C[6,6,6a]C[5,6,6]C[6a])(C[5,6,6]C[5,3x6]C[5]H)(C[5]C[5]HH)(H){2|C<4>,5|C<3>,5|H<1>}	C[6a](C[5,3x6]C[6,6,6a]C[5,6,6]2)(C[6a]C[6a]H)2{3|C<3>,4|C<4>,4|H<1>}	112.2505	4.305	4	112.2505	18.530	4	111.8978	11.777	16	111.8978	11.777	16	111.8978	11.777	16	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,3x6]	C[5,6,6]	C[6a]	3:4:4:3:	4:4:4:1:	4:3:3:	C[6,6,6a]-3:C[5,6,6]-4:C[5,6,6]-4:C[6a]-3:	C[5,3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,3x6]-4:C[6a]-3:C[6a]-3:	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a,6a])(C[5,6,6]C[5,6,6]C[5]H)2(C[6a]C[6a]2)	C[5,6,6](C[5,3x6]C[6,6,6a]C[5,6,6]C[6a])(C[5,6,6]C[5,3x6]C[5]H)(C[5]C[5]HH)(H)	C[6a](C[5,3x6]C[6,6,6a]C[5,6,6]2)(C[6a]C[6a]H)2	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a,6a])(C[5,6,6]C[5,6,6]C[5]H)2(C[6a]C[6a]2){1|N<2>,3|C<4>,4|C<3>,8|H<1>}	C[5,6,6](C[5,3x6]C[6,6,6a]C[5,6,6]C[6a])(C[5,6,6]C[5,3x6]C[5]H)(C[5]C[5]HH)(H){2|C<4>,5|C<3>,5|H<1>}	C[6a](C[5,3x6]C[6,6,6a]C[5,6,6]2)(C[6a]C[6a]H)2{3|C<3>,4|C<4>,4|H<1>}	111.7803	3.308	12	111.7803	10.946	12	111.8978	11.777	16	111.8978	11.777	16	111.8978	11.777	16	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,3x6]	C[5,6]	C[6,6a]	3:4:4:2:	4:4:2:4:	4:3:3:	C[6,6a]-3:C[3x6]-4:C[5,6]-4:O[5,6]-2:	C[5,3x6]-4:C[6]-4:O[5]-2:C-4:	C[5,3x6]-4:C[6,6a]-3:C[6a]-3:	C[5,3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]O[6]H)(C[5,6]C[6]O[5]C)(O[5,6]C[5,6])	C[5,6](C[5,3x6]C[6,6a]C[3x6]O[5,6])(C[6]C[6]HH)(O[5]C[5,6])(CH3)	C[6,6a](C[5,3x6]C[3x6]C[5,6]O[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]O[6]H)(C[5,6]C[6]O[5]C)(O[5,6]C[5,6]){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,3x6]C[6,6a]C[3x6]O[5,6])(C[6]C[6]HH)(O[5]C[5,6])(CH3){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6a](C[5,3x6]C[3x6]C[5,6]O[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,4|C<4>,4|O<2>}	116.4800	0.000	1	116.4800	0.000	1	116.4800	0.000	1	116.4800	0.000	1	112.8300	4.825	5	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,3x6]	C[5,6]	C[6,6a]	4:3:4:4:	4:4:1:1:	4:3:3:	C[5,3x6]-4:C[6,6a]-3:C[5,6]-4:C[5,6]-4:	C[5,3x6]-4:C[4,5,6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6a]-3:C[6a]-3:	C[5,3x6](C[5,3x6]C[6,6a]C[5,6]2)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[4,5,6]HH)2	C[5,6](C[5,3x6]C[5,3x6]C[6,6a]C[5,6])(C[4,5,6]C[4,5,6]2C)(H)2	C[6,6a](C[5,3x6]C[5,3x6]C[5,6]2)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[5,3x6](C[5,3x6]C[6,6a]C[5,6]2)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[4,5,6]HH)2{4|C<3>,4|C<4>,5|H<1>}	C[5,6](C[5,3x6]C[5,3x6]C[6,6a]C[5,6])(C[4,5,6]C[4,5,6]2C)(H)2{2|H<1>,3|C<3>,5|C<4>}	C[6,6a](C[5,3x6]C[5,3x6]C[5,6]2)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){3|C<3>,4|C<4>,6|H<1>}	111.9175	0.939	4	111.9175	0.883	4	111.9175	0.883	4	111.9175	0.883	4	112.8300	4.825	5	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,3x6]	C[5]	C[6,6,6a]	3:3:3:4:	4:2:1:1:	4:3:3:	C[6,6,6a]-3:C[5,6,6]-3:C[3x6]-3:C[5]-4:	C[5,3x6]-4:O[5]-2:H-1:H-1:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[6,6]C[5])(C[3x6]C[3x6]C[6])(C[5]O[5]HH)	C[5](C[5,3x6]C[6,6,6a]C[5,6,6]C[3x6])(O[5]C[5])(H)2	C[6,6,6a](C[5,3x6]C[5,6,6]C[3x6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[6,6]C[5])(C[3x6]C[3x6]C[6])(C[5]O[5]HH){1|C<2>,1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,3x6]C[6,6,6a]C[5,6,6]C[3x6])(O[5]C[5])(H)2{1|O<1>,5|C<3>}	C[6,6,6a](C[5,3x6]C[5,6,6]C[3x6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|O<2>,5|C<3>,5|H<1>}	117.6260	0.000	1	117.6260	0.000	1	117.6260	0.000	1	116.8823	0.930	3	117.8297	2.453	11	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,3x6]	C[5]	C[6,6,6a]	3:3:3:4:	4:2:1:1:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:C[5]-4:	C[5,3x6]-4:S[5]-2:H-1:H-1:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(C[5]S[5]HH)	C[5](C[5,3x6]C[6,6,6a]2C[5,6,6])(S[5]C[5])(H)2	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(C[5]S[5]HH){1|C<4>,4|C<3>,5|H<1>}	C[5](C[5,3x6]C[6,6,6a]2C[5,6,6])(S[5]C[5])(H)2{2|H<1>,5|C<3>}	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|S<2>,4|H<1>,5|C<3>}	116.5105	1.015	2	116.5105	1.030	2	116.5105	1.030	2	116.8823	0.930	3	117.8297	2.453	11	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,3x6]	C[5]	C[6,6,6a]	3:3:3:4:	4:3:4:1:	4:3:3:	C[6,6,6a]-3:C[5,6,6]-3:C[6,6]-3:C[5]-4:	C[5,3x6]-4:C[5]-3:C-4:H-1:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]H)(C[5]C[5]CH)	C[5](C[5,3x6]C[6,6,6a]C[5,6,6]C[6,6])(C[5]C[5]O)(CCHH)(H)	C[6,6,6a](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]H)(C[5]C[5]CH){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5](C[5,3x6]C[6,6,6a]C[5,6,6]C[6,6])(C[5]C[5]O)(CCHH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6,6a](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,4|C<3>,5|H<1>}	117.6500	0.147	2	117.6500	0.022	2	117.6500	0.022	2	117.6500	0.022	2	117.8297	2.453	11	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,3x6]	C[5]	C[6,6,6a]	3:3:3:4:	4:4:1:1:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:N[5,6,6]-3:C[5]-4:	C[5,3x6]-4:C[5]-4:H-1:H-1:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[5,6,6]O[6,6]C[5])(C[5]C[5]HH)	C[5](C[5,3x6]C[6,6,6a]2N[5,6,6])(C[5]C[5]HH)(H)2	C[6,6,6a](C[5,3x6]C[6,6,6a]N[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[5,6,6]O[6,6]C[5])(C[5]C[5]HH){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[5](C[5,3x6]C[6,6,6a]2N[5,6,6])(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,4|C<3>}	C[6,6,6a](C[5,3x6]C[6,6,6a]N[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	119.0350	2.438	2	119.0350	5.944	2	119.0350	5.944	2	119.0350	5.944	2	117.8297	2.453	11	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,3x6]	C[5]	C[6,6,6a]	3:3:4:4:	4:3:3:1:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:C[5]-4:	C[5,3x6]-4:C[5]-3:C-3:H-1:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5]H)(C[5]C[5]CH)	C[5](C[5,3x6]C[6,6,6a]2C[5,6,6])(C[5]C[5]C)(CCH)(H)	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5]H)(C[5]C[5]CH){1|C<2>,1|C<4>,4|C<3>,6|H<1>}	C[5](C[5,3x6]C[6,6,6a]2C[5,6,6])(C[5]C[5]C)(CCH)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,5|C<3>,5|H<1>}	118.0605	1.650	2	118.0605	2.721	2	118.0605	2.721	2	118.0605	2.721	2	117.8297	2.453	11	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,3x6]	C[5]	C[6,6,6a]	3:3:4:4:	4:3:4:1:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:C[5]-4:	C[5,3x6]-4:C[5]-3:C-4:H-1:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5]H)(C[5]C[5]CH)	C[5](C[5,3x6]C[6,6,6a]2C[5,6,6])(C[5]C[5]C)(CCHH)(H)	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5]H)(C[5]C[5]CH){1|C<2>,1|C<4>,4|C<3>,6|H<1>}	C[5](C[5,3x6]C[6,6,6a]2C[5,6,6])(C[5]C[5]C)(CCHH)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|C<4>,4|C<3>,5|H<1>}	117.9945	2.857	2	117.9945	8.165	2	117.9945	8.165	2	117.9945	8.165	2	117.8297	2.453	11	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,4x6]	C[5,5x6]	C[6a]	4:4:3:3:	4:4:4:3:	4:3:3:	C[5,5x6]-4:P[5,5,3x6]-4:C[6,6]-3:C[6a]-3:	C[5,4x6]-4:P[5,5,3x6]-4:C[5x6]-4:C[6a]-3:	C[5,4x6]-4:C[6a]-3:C[6a]-3:	C[5,4x6](C[5,5x6]P[5,5,3x6]C[5x6]C[6a])(P[5,5,3x6]C[5,5x6]O[5,5]O)(C[6,6]C[6,6]H)(C[6a]C[6a]2)	C[5,5x6](C[5,4x6]P[5,5,3x6]C[6,6]C[6a])(P[5,5,3x6]C[5,4x6]O[5,5]O)(C[5x6]C[5x6]C[6,6]H)(C[6a]C[6a]2)	C[6a](C[5,4x6]P[5,5,3x6]C[5,5x6]C[6,6])(C[6a]C[6a]H)2	C[5,4x6](C[5,5x6]P[5,5,3x6]C[5x6]C[6a])(P[5,5,3x6]C[5,5x6]O[5,5]O)(C[6,6]C[6,6]H)(C[6a]C[6a]2){1|O<1>,2|C<4>,3|H<1>,7|C<3>}	C[5,5x6](C[5,4x6]P[5,5,3x6]C[6,6]C[6a])(P[5,5,3x6]C[5,4x6]O[5,5]O)(C[5x6]C[5x6]C[6,6]H)(C[6a]C[6a]2){1|C<4>,1|O<1>,4|H<1>,8|C<3>}	C[6a](C[5,4x6]P[5,5,3x6]C[5,5x6]C[6,6])(C[6a]C[6a]H)2{1|O<1>,1|O<2>,1|P<4>,2|C<4>,3|C<3>,3|H<1>}	114.9525	1.380	4	114.9525	1.904	4	114.9525	1.904	4	114.9525	1.904	4	114.9525	1.904	4	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,4x6]	C[5,6,6]	C[6,6a]	4:4:3:3:	4:4:2:1:	4:3:3:	C[5,3x6]-4:C[5,6,6]-4:C[6,6a]-3:C[6,6]-3:	C[5,4x6]-4:C[5]-4:O[6,6]-2:H-1:	C[5,4x6]-4:C[6,6a]-3:C[6a]-3:	C[5,4x6](C[5,3x6]C[6,6]N[5,6]H)(C[5,6,6]O[6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]H)	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6a]C[6,6])(C[5]N[5,6]HH)(O[6,6]C[3x6])(H)	C[6,6a](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[5,4x6](C[5,3x6]C[6,6]N[5,6]H)(C[5,6,6]O[6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]H){2|C<3>,2|C<4>,6|H<1>}	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6a]C[6,6])(C[5]N[5,6]HH)(O[6,6]C[3x6])(H){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|N<3>,2|C<3>,2|C<4>,2|O<2>,6|H<1>}	109.1550	0.000	1	109.1550	0.000	1	109.1550	0.000	1	109.1550	0.000	1	109.1550	0.000	1	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6,6]	C[3x5,5x6]	C[6a]	4:4:4:3:	4:4:4:4:	4:3:3:	C[3x5,5x6]-4:C[3x5,6,6]-4:C[6,6]-4:C[6a]-3:	C[3x5,4x6]-4:C[5,5,6,6]-4:C[3x5,3x6]-4:C[6,6]-4:	C[5,5,6,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6,6](C[3x5,5x6]C[3x5,3x6]C[3x5,4x6]C[6,6])(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)	C[3x5,5x6](C[3x5,4x6]C[3x5,3x6]C[5,5]C[6,6])(C[5,5,6,6]C[3x5,6,6]C[6,6]C[6a])(C[3x5,3x6]C[3x5,6,6]2H)(C[6,6]C[6,6]HH)	C[6a](C[5,5,6,6]C[3x5,5x6]C[3x5,6,6]C[6,6])(C[6a]C[6a]H)2	C[5,5,6,6](C[3x5,5x6]C[3x5,3x6]C[3x5,4x6]C[6,6])(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)(C[6,6]C[3x6]HH)(C[6a]C[6a]2){4|C<3>,5|C<4>,7|H<1>}	C[3x5,5x6](C[3x5,4x6]C[3x5,3x6]C[5,5]C[6,6])(C[5,5,6,6]C[3x5,6,6]C[6,6]C[6a])(C[3x5,3x6]C[3x5,6,6]2H)(C[6,6]C[6,6]HH){10|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[6a](C[5,5,6,6]C[3x5,5x6]C[3x5,6,6]C[6,6])(C[6a]C[6a]H)2{1|C<3>,5|H<1>,6|C<4>}	118.3450	0.000	1	118.3450	0.000	1	118.3450	0.000	1	118.3450	0.000	1	118.3450	0.000	1	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6,6]	C[3x5,6,6]	C[6a]	4:4:4:3:	4:4:4:1:	4:3:3:	C[3x5,5x6]-4:C[3x5,6,6]-4:C[6,6]-4:C[6a]-3:	C[3x5,3x6]-4:C[5,5,6,6]-4:C[3x5,6,6]-4:H-1:	C[5,5,6,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6,6](C[3x5,5x6]C[3x5,3x6]C[3x5,4x6]C[6,6])(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)	C[3x5,6,6](C[3x5,3x6]C[3x5,4x6]C[3x5,6,6]H)(C[5,5,6,6]C[3x5,5x6]C[6,6]C[6a])(C[3x5,6,6]C[3x5,3x6]C[5,5]H)(H)	C[6a](C[5,5,6,6]C[3x5,5x6]C[3x5,6,6]C[6,6])(C[6a]C[6a]H)2	C[5,5,6,6](C[3x5,5x6]C[3x5,3x6]C[3x5,4x6]C[6,6])(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)(C[6,6]C[3x6]HH)(C[6a]C[6a]2){4|C<3>,5|C<4>,7|H<1>}	C[3x5,6,6](C[3x5,3x6]C[3x5,4x6]C[3x5,6,6]H)(C[5,5,6,6]C[3x5,5x6]C[6,6]C[6a])(C[3x5,6,6]C[3x5,3x6]C[5,5]H)(H){3|C<3>,4|C<4>,6|H<1>}	C[6a](C[5,5,6,6]C[3x5,5x6]C[3x5,6,6]C[6,6])(C[6a]C[6a]H)2{1|C<3>,5|H<1>,6|C<4>}	110.6550	0.000	1	110.6550	0.000	1	110.6550	0.000	1	110.6550	0.000	1	110.6550	0.000	1	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6,6]	C[3x5,6]	C[6a]	4:4:4:3:	4:4:4:1:	4:3:3:	C[3x5,6]-4:C[5,3x6]-4:C[5,6]-4:C[6a]-3:	C[5,5,6,6]-4:C[3x5,6]-4:C[5,5,6]-4:H-1:	C[5,5,6,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6,6](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5,3x6]C[5,3x6]C[5,6]O)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)	C[3x5,6](C[5,5,6,6]C[5,3x6]C[5,6]C[6a])(C[3x5,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,6]2H)(H)	C[6a](C[5,5,6,6]C[3x5,6]C[5,3x6]C[5,6])(C[6a]C[6a]H)2	C[5,5,6,6](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5,3x6]C[5,3x6]C[5,6]O)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2){3|C<3>,3|C<4>,7|H<1>}	C[3x5,6](C[5,5,6,6]C[5,3x6]C[5,6]C[6a])(C[3x5,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,6]2H)(H){1|O<2>,2|C<4>,3|C<3>,7|H<1>}	C[6a](C[5,5,6,6]C[3x5,6]C[5,3x6]C[5,6])(C[6a]C[6a]H)2{1|C<3>,1|O<2>,5|C<4>,5|H<1>}	116.1022	0.407	4	116.1022	0.166	4	116.1022	0.166	4	116.1022	0.166	4	116.1022	0.166	4	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6,6]	C[5,3x6]	C[6a]	4:4:4:3:	4:4:4:2:	4:3:3:	C[3x5,6]-4:C[5,3x6]-4:C[5,6]-4:C[6a]-3:	C[5,5,6,6]-4:C[5,3x6]-4:C[5,6]-4:O-2:	C[5,5,6,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6,6](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5,3x6]C[5,3x6]C[5,6]O)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)	C[5,3x6](C[5,5,6,6]C[3x5,6]C[5,6]C[6a])(C[5,3x6]C[5,5,6,6]C[5,6]H)(C[5,6]C[5,5,6]HH)(OC)	C[6a](C[5,5,6,6]C[3x5,6]C[5,3x6]C[5,6])(C[6a]C[6a]H)2	C[5,5,6,6](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5,3x6]C[5,3x6]C[5,6]O)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2){3|C<3>,3|C<4>,7|H<1>}	C[5,3x6](C[5,5,6,6]C[3x5,6]C[5,6]C[6a])(C[5,3x6]C[5,5,6,6]C[5,6]H)(C[5,6]C[5,5,6]HH)(OC){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	C[6a](C[5,5,6,6]C[3x5,6]C[5,3x6]C[5,6])(C[6a]C[6a]H)2{1|C<3>,1|O<2>,5|C<4>,5|H<1>}	112.7883	0.957	4	112.7883	0.916	4	112.7883	0.916	4	112.7883	0.916	4	112.7883	0.916	4	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6,6]	C[5,5]	C[6,6a]	4:3:4:3:	4:4:1:1:	4:3:3:	C[5,6,6]-4:C[6,6a]-3:C[5,5]-4:C[5,6]-3:	C[5,5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)	C[5,5](C[5,5,6,6]C[5,6,6]C[6,6a]C[5,6])(C[5,5,6]C[5,6]2C)(H)2	C[6,6a](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[5,5](C[5,5,6,6]C[5,6,6]C[6,6a]C[5,6])(C[5,5,6]C[5,6]2C)(H)2{1|C<2>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,2|C<3>,3|C<4>,7|H<1>}	115.8240	0.000	1	115.8240	0.000	1	115.8240	0.000	1	115.8240	0.000	1	115.8240	0.000	1	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6,6]	C[5,5]	C[6a]	4:2:2:3:	4:4:1:1:	4:3:3:	C[5,5]-4:S[5,6,6]-2:S[5,6,6]-2:C[6a]-3:	C[4,5,5,6]-4:C[5,5,6,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6,6](C[5,5]C[4,5,5,6]HH)(S[5,6,6]P[4,5,6,6])2(C[6a]C[6a]2)	C[5,5](C[4,5,5,6]P[4,5,6,6]2C[6a])(C[5,5,6,6]S[5,6,6]2C[6a])(H)2	C[6a](C[5,5,6,6]S[5,6,6]2C[5,5])(C[6a]C[6a]H)2	C[5,5,6,6](C[5,5]C[4,5,5,6]HH)(S[5,6,6]P[4,5,6,6])2(C[6a]C[6a]2){1|S<2>,2|H<1>,2|S<1>,3|C<3>}	C[5,5](C[4,5,5,6]P[4,5,6,6]2C[6a])(C[5,5,6,6]S[5,6,6]2C[6a])(H)2{1|S<2>,2|S<1>,4|C<3>}	C[6a](C[5,5,6,6]S[5,6,6]2C[5,5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|P<4>,4|H<1>}	114.6550	0.000	1	114.6550	0.000	1	114.6550	0.000	1	114.6550	0.000	1	114.6550	0.000	1	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6,6]	C[5,6]	C[6a]	4:4:4:3:	4:4:1:1:	4:3:3:	C[3x5,6]-4:C[5,3x6]-4:C[5,6]-4:C[6a]-3:	C[5,5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6,6](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5,3x6]C[5,3x6]C[5,6]O)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)	C[5,6](C[5,5,6,6]C[3x5,6]C[5,3x6]C[6a])(C[5,5,6]C[3x5,6]C[5,6]C)(H)2	C[6a](C[5,5,6,6]C[3x5,6]C[5,3x6]C[5,6])(C[6a]C[6a]H)2	C[5,5,6,6](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5,3x6]C[5,3x6]C[5,6]O)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2){3|C<3>,3|C<4>,7|H<1>}	C[5,6](C[5,5,6,6]C[3x5,6]C[5,3x6]C[6a])(C[5,5,6]C[3x5,6]C[5,6]C)(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6a](C[5,5,6,6]C[3x5,6]C[5,3x6]C[5,6])(C[6a]C[6a]H)2{1|C<3>,1|O<2>,5|C<4>,5|H<1>}	112.9880	0.731	4	112.9880	0.534	4	112.9880	0.534	4	112.9880	0.534	4	112.9880	0.534	4	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[3x5,6]	C[6,6a]	4:3:4:4:	4:4:3:2:	4:3:3:	C[3x5,6]-4:C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5,5,6]-4:C[5,5,6]-4:N[5,6]-3:O[5]-2:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6](C[3x5,6]C[5,5,6]N[5,6]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)	C[3x5,6](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5,5,6]C[5]2C[6])(N[5,6]C[5]C[6])(O[5]C[5])	C[6,6a](C[5,5,6]C[3x5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,5,6](C[3x5,6]C[5,5,6]N[5,6]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]HH){1|N<3>,1|O<1>,2|C<4>,4|C<3>,5|H<1>}	C[3x5,6](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5,5,6]C[5]2C[6])(N[5,6]C[5]C[6])(O[5]C[5]){11|H<1>,1|C<4>,1|O<1>,4|C<3>}	C[6,6a](C[5,5,6]C[3x5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	118.2700	0.619	2	118.2700	0.384	2	118.2700	0.384	2	118.2700	0.384	2	118.2700	0.384	2	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[3x5,6]	C[6a]	4:3:3:4:	4:2:3:4:	4:3:3:	C[3x5,6]-4:C[5,6]-3:C[6a]-3:C[5]-4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C[5]-4:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]C)(C[6a]C[6a]2)(C[5]N[5]HH)	C[3x5,6](C[5,5,6]C[5,6]C[6a]C[5])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH)	C[6a](C[5,5,6]C[3x5,6]C[5,6]C[5])(C[6a]C[6a]H)2	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]C)(C[6a]C[6a]2)(C[5]N[5]HH){1|S<4>,3|C<3>,6|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[6a]C[5])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(C[5]N[5]HH){1|S<4>,3|C<3>,4|H<1>}	C[6a](C[5,5,6]C[3x5,6]C[5,6]C[5])(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	113.0170	0.772	2	113.0170	0.596	2	113.0170	0.596	2	113.0170	0.596	2	113.0170	0.596	2	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[3x5]	C[6a]	3:4:4:3:	4:4:4:1:	4:3:3:	C[5,5a,6]-3:C[3x5]-4:C[5,6]-4:C[6a]-3:	C[5,5,6]-4:C[3x5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[3x5]C[3x5,6]C[5]H)(C[5,6]C[5,6]C[6a]H)(C[6a]C[6a]2)	C[3x5](C[5,5,6]C[5,5a,6]C[5,6]C[6a])(C[3x5,6]C[5,5a,6]C[5,6]C[5])(C[5]C[5]HH)(H)	C[6a](C[5,5,6]C[5,5a,6]C[3x5]C[5,6])(C[6a]C[6a]H)2	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[3x5]C[3x5,6]C[5]H)(C[5,6]C[5,6]C[6a]H)(C[6a]C[6a]2){1|N<3>,2|C<4>,5|C<3>,7|H<1>}	C[3x5](C[5,5,6]C[5,5a,6]C[5,6]C[6a])(C[3x5,6]C[5,5a,6]C[5,6]C[5])(C[5]C[5]HH)(H){5|C<3>,7|H<1>}	C[6a](C[5,5,6]C[5,5a,6]C[3x5]C[5,6])(C[6a]C[6a]H)2{3|C<4>,4|C<3>,4|H<1>}	119.9135	0.200	2	119.9135	0.040	2	119.9135	0.040	2	119.9135	0.040	2	119.9135	0.040	2	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,5,6,6]	C[6a]	4:3:2:3:	4:4:4:1:	4:3:3:	C[5,5,6,6]-4:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[5,5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,6,6]C[5,5,6]2H)(H)	C[6a](C[5,5,6]C[5,5,6,6]C[5,6,6a]O[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|C<4>,1|O<2>,5|H<1>,6|C<3>}	C[5,5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,6,6]C[5,5,6]2H)(H){1|H<1>,7|C<3>}	C[6a](C[5,5,6]C[5,5,6,6]C[5,6,6a]O[5,5])(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	117.4511	0.929	8	117.4511	0.863	8	118.1372	1.993	14	118.1372	1.993	14	118.2073	1.936	16	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,5,6,6]	C[6a]	4:3:2:3:	4:4:4:1:	4:3:3:	C[5,5,6,6]-4:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[5,5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])2(C[5,5,6,6]C[5,5,6]2C)(H)	C[6a](C[5,5,6]C[5,5,6,6]C[5,6,6a]O[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|C<4>,1|O<2>,3|H<1>,8|C<3>}	C[5,5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])2(C[5,5,6,6]C[5,5,6]2C)(H){10|C<3>}	C[6a](C[5,5,6]C[5,5,6,6]C[5,6,6a]O[5,5])(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	120.0005	1.357	2	120.0005	1.841	2	118.1372	1.993	14	118.1372	1.993	14	118.2073	1.936	16	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,5,6,6]	C[6a]	4:3:2:3:	4:4:4:1:	4:3:3:	C[5,5,6,6]-4:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[5,5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])2(C[5,5,6,6]C[5,5,6]2H)(H)	C[6a](C[5,5,6]C[5,5,6,6]C[5,6,6a]O[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|C<4>,1|O<2>,4|H<1>,7|C<3>}	C[5,5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])2(C[5,5,6,6]C[5,5,6]2H)(H){10|C<3>}	C[6a](C[5,5,6]C[5,5,6,6]C[5,6,6a]O[5,5])(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	118.5778	1.477	4	118.5778	2.180	4	118.1372	1.993	14	118.1372	1.993	14	118.2073	1.936	16	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,5,6,6]	C[6a]	4:3:2:3:	4:4:4:3:	4:3:3:	C[5,5,6,6]-4:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6,6]-4:C-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	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]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[5,5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])2(C[5,5,6,6]C[5,5,6]2H)(COO)	C[6a](C[5,5,6]C[5,5,6,6]C[5,6,6a]O[5,5])(C[6a]C[6a]H)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]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|C<4>,1|O<2>,4|H<1>,7|C<3>}	C[5,5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])2(C[5,5,6,6]C[5,5,6]2H)(COO){10|C<3>}	C[6a](C[5,5,6]C[5,5,6,6]C[5,6,6a]O[5,5])(C[6a]C[6a]H)2{2|H<1>,3|C<4>,4|C<3>}	118.6975	1.609	2	118.6975	2.588	2	118.6975	2.588	2	118.6975	2.588	2	118.2073	1.936	16	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[6,6a]	4:3:3:3:	4:3:3:4:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[5,5,6]-4:C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O)	C[5,5,6](C[5,5,6]C[5,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)	C[6,6a](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[5,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O){1|C<4>,4|H<1>,8|C<3>}	C[5,5,6](C[5,5,6]C[5,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H){1|O<1>,5|H<1>,9|C<3>}	C[6,6a](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<4>,2|O<1>,5|C<3>}	110.9170	0.000	1	110.9170	0.000	1	110.9170	0.000	1	110.9170	0.000	1	115.4760	28.358	8	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[6,6a]	4:3:3:4:	4:3:3:3:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	C[5,5,6]-4:C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)	C[5,5,6](C[5,5,6]C[5,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O)	C[6,6a](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[5,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H){1|O<1>,5|H<1>,9|C<3>}	C[5,5,6](C[5,5,6]C[5,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O){1|C<4>,4|H<1>,8|C<3>}	C[6,6a](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,6|C<3>}	113.6440	0.000	1	113.6440	0.000	1	113.6440	0.000	1	113.6440	0.000	1	115.4760	28.358	8	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[6,6a]	4:3:4:3:	4:4:3:2:	4:3:3:	C[5,5,6]-4:C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,5,6]-4:C[5,6]-4:N[5,6]-3:O-2:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,6]N[5,6]O)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H)	C[5,5,6](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(OH)	C[6,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[5,6]N[5,6]O)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H){1|N<3>,2|C<3>,2|O<1>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(OH){1|C<4>,1|O<1>,3|C<3>,8|H<1>}	C[6,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,5|H<1>}	113.1605	0.457	2	113.1605	0.209	2	113.1605	0.209	2	113.1605	0.209	2	115.4760	28.358	8	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[6,6a]	4:3:4:4:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5,5,6]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)	C[5,5,6](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(H)	C[6,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(H){5|C<3>,9|H<1>}	C[6,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|C<4>,6|H<1>}	112.4655	0.063	2	112.4655	0.004	2	112.4655	0.004	2	112.4655	0.004	2	115.4760	28.358	8	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[6,6a]	4:3:4:4:	4:4:3:2:	4:3:3:	C[5,5,6]-4:C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5,5,6]-4:C[5,6]-4:N[5,6]-3:O-2:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,6]N[5,6]O)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)	C[5,5,6](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(OH)	C[6,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[5,6]N[5,6]O)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]HH){1|N<3>,2|C<3>,2|O<1>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(OH){1|C<4>,1|O<1>,3|C<3>,9|H<1>}	C[6,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,6|H<1>}	123.9975	0.265	2	123.9975	0.070	2	123.9975	0.070	2	123.9975	0.070	2	115.4760	28.358	8	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[6a]	3:4:2:3:	4:4:3:1:	4:3:3:	C[5,6,6a]-3:C[5,5,6]-4:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[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])(C[6a]C[6a]2)	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[6a](C[5,5,6]C[5,6,6a]C[5,5,6]O[5,5])(C[6a]C[6a]H)2	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])(C[6a]C[6a]2){1|N<3>,1|O<1>,4|H<1>,6|C<3>}	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,6|C<3>}	C[6a](C[5,5,6]C[5,6,6a]C[5,5,6]O[5,5])(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	117.7472	0.869	6	117.7472	0.755	6	117.7472	0.755	6	117.7472	0.755	6	117.0356	3.101	86	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[6a]	3:4:3:3:	4:4:3:1:	4:3:3:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[6a]-3:C[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)(C[6a]C[6a]2)	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[6a](C[5,5,6]C[5,6,6a]C[5,5,6]C[5,5])(C[6a]C[6a]H)2	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)(C[6a]C[6a]2){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){2|O<1>,6|C<3>}	C[6a](C[5,5,6]C[5,6,6a]C[5,5,6]C[5,5])(C[6a]C[6a]H)2{1|O<1>,2|C<4>,3|H<1>,4|C<3>}	117.9648	0.712	38	117.9648	0.507	38	117.9648	0.507	38	117.9648	0.507	38	117.0356	3.101	86	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[6a]	4:3:2:3:	4:3:4:3:	4:2:3:	C[5,5,6]-4:C[6a]-3:S[5,5]-2:N[5,6]-3:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-3:	C[5,5,6]-4:N[6a]-2:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6a]C[6a]N[6a])(S[5,5]C[5,5,6])(N[5,6]C[5,6]H)	C[5,5,6](C[5,5,6]N[5,6]S[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]CH)(C[5]N[5]O)	C[6a](C[5,5,6]C[5,5,6]N[5,6]S[5,5])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6a]C[6a]N[6a])(S[5,5]C[5,5,6])(N[5,6]C[5,6]H){1|C<4>,1|N<3>,2|H<1>,2|O<1>,5|C<3>}	C[5,5,6](C[5,5,6]N[5,6]S[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]CH)(C[5]N[5]O){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,5,6]C[5,5,6]N[5,6]S[5,5])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	115.9990	0.000	1	115.9990	0.000	1	115.9990	0.000	1	115.9990	0.000	1	117.0356	3.101	86	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[6a]	4:3:2:3:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[5,6]-3:S[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]N[5,5,6]O)(S[5,5]C[3x5,6])(C[6a]C[6a]2)	C[5,5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,5,6]C[3x5,6]C[5]H)(C[5]N[5]O)(H)	C[6a](C[5,5,6]C[5,5,6]C[5,6]S[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]N[5,5,6]O)(S[5,5]C[3x5,6])(C[6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,5,6]C[3x5,6]C[5]H)(C[5]N[5]O)(H){1|N<3>,1|S<2>,2|O<1>,3|C<3>}	C[6a](C[5,5,6]C[5,5,6]C[5,6]S[5,5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	118.1320	1.810	5	118.1393	2.621	6	118.1393	2.621	6	118.1393	2.621	6	117.0356	3.101	86	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[6a]	4:3:2:3:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[5,6]-3:S[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]N[5,5,6]O)(S[5,5]C[3x5,6])(C[6a]C[6a]2)	C[5,5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,5,6]C[3x5,6]C[5]H)(C[5]N[5]O)(H)	C[6a](C[5,5,6]C[5,5,6]C[5,6]S[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]N[5,5,6]O)(S[5,5]C[3x5,6])(C[6a]C[6a]2){1|C<4>,1|O<1>,2|N<3>,3|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,5,6]C[3x5,6]C[5]H)(C[5]N[5]O)(H){2|N<3>,2|O<1>,3|C<3>}	C[6a](C[5,5,6]C[5,5,6]C[5,6]S[5,5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	118.1760	0.000	1	118.1393	2.621	6	118.1393	2.621	6	118.1393	2.621	6	117.0356	3.101	86	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[6a]	4:3:3:3:	4:3:3:3:	4:3:3:	C[5,5,6]-4:N[5,6]-3:N[5,6]-3:C[6a]-3:	C[5,5,6]-4:N[5,6]-3:N[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]N[5,6]2C[6a])(N[5,6]C[5]C[6])2(C[6a]C[6a]2)	C[5,5,6](C[5,5,6]N[5,6]2C[6a])(N[5,6]C[5]C[6])2(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,5,6]N[5,6]2)(C[6a]C[6a]H)2	C[5,5,6](C[5,5,6]N[5,6]2C[6a])(N[5,6]C[5]C[6])2(C[6a]C[6a]2){1|N<3>,2|C<4>,2|O<1>,4|C<3>,6|H<1>}	C[5,5,6](C[5,5,6]N[5,6]2C[6a])(N[5,6]C[5]C[6])2(C[6a]C[6a]2){1|N<3>,2|C<4>,2|O<1>,4|C<3>,6|H<1>}	C[6a](C[5,5,6]C[5,5,6]N[5,6]2)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,2|N<3>,4|C<3>}	116.6380	0.782	8	116.4344	0.629	16	116.4344	0.629	16	116.4344	0.629	16	117.0356	3.101	86	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[6a]	4:3:3:3:	4:3:3:3:	4:3:3:	C[5,5,6]-4:N[5,6]-3:N[5,6]-3:C[6a]-3:	C[5,5,6]-4:N[5,6]-3:N[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]N[5,6]2C[6a])(N[5,6]C[5]C[6])2(C[6a]C[6a]2)	C[5,5,6](C[5,5,6]N[5,6]2C[6a])(N[5,6]C[5]C[6])2(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,5,6]N[5,6]2)(C[6a]C[6a]H)2	C[5,5,6](C[5,5,6]N[5,6]2C[6a])(N[5,6]C[5]C[6])2(C[6a]C[6a]2){1|N<3>,2|C<4>,2|S<1>,4|C<3>,6|H<1>}	C[5,5,6](C[5,5,6]N[5,6]2C[6a])(N[5,6]C[5]C[6])2(C[6a]C[6a]2){1|N<3>,2|C<4>,2|S<1>,4|C<3>,6|H<1>}	C[6a](C[5,5,6]C[5,5,6]N[5,6]2)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,2|N<3>,4|C<3>}	116.5373	0.532	4	116.4344	0.629	16	116.4344	0.629	16	116.4344	0.629	16	117.0356	3.101	86	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[6a]	4:3:3:3:	4:3:3:3:	4:3:3:	C[5,5,6]-4:N[5,6]-3:N[5,6]-3:C[6a]-3:	C[5,5,6]-4:N[5,6]-3:N[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]N[5,6]2C[6a])(N[5,6]C[5]C[6])2(C[6a]C[6a]2)	C[5,5,6](C[5,5,6]N[5,6]2C[6a])(N[5,6]C[5]C[6])2(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,5,6]N[5,6]2)(C[6a]C[6a]H)2	C[5,5,6](C[5,5,6]N[5,6]2C[6a])(N[5,6]C[5]C[6])2(C[6a]C[6a]2){1|O<2>,2|C<4>,2|O<1>,4|C<3>,6|H<1>}	C[5,5,6](C[5,5,6]N[5,6]2C[6a])(N[5,6]C[5]C[6])2(C[6a]C[6a]2){1|O<2>,2|C<4>,2|O<1>,4|C<3>,6|H<1>}	C[6a](C[5,5,6]C[5,5,6]N[5,6]2)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,2|N<3>,4|C<3>}	115.9245	0.981	4	116.4344	0.629	16	116.4344	0.629	16	116.4344	0.629	16	117.0356	3.101	86	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[6a]	4:3:3:3:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[5,5]-3:C[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(C[6a]C[6a]2)	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]C[5])(C[5,5,6]C[5,5]C[5,6]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,5,6]C[5,5,6]C[5,5]C[5,6])(C[6a]C[6a]H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(C[6a]C[6a]2){1|O<1>,3|H<1>,6|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]C[5])(C[5,5,6]C[5,5]C[5,6]C[6a])(C[5]C[5]O)(H){1|H<1>,1|O<1>,8|C<3>}	C[6a](C[5,5,6]C[5,5,6]C[5,5]C[5,6])(C[6a]C[6a]H)2{1|O<1>,2|C<4>,3|H<1>,4|C<3>}	118.1050	0.000	1	118.1050	0.000	1	118.1050	0.000	1	118.1050	0.000	1	117.0356	3.101	86	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[6a]	4:3:4:3:	4:4:3:1:	4:3:3:	C[5,5,6]-4:N[5,5]-3:C[5,6]-4:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(N[5,5]P[5,5,6]C[6a])(C[5,6]C[5,6]HH)(C[6a]C[6a]2)	C[5,5,6](C[5,5,6]C[5,6]N[5,5]C[6a])(C[5,5,6]P[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[6a](C[5,5,6]C[5,5,6]C[5,6]N[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(N[5,5]P[5,5,6]C[6a])(C[5,6]C[5,6]HH)(C[6a]C[6a]2){1|N<3>,1|O<1>,1|W<6>,5|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,6]N[5,5]C[6a])(C[5,5,6]P[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,1|W<6>,2|H<1>,4|C<3>}	C[6a](C[5,5,6]C[5,5,6]C[5,6]N[5,5])(C[6a]C[6a]H)2{1|P<4>,2|C<4>,3|C<3>,5|H<1>}	115.0115	1.621	2	115.0115	2.629	2	115.0115	2.629	2	115.0115	2.629	2	117.0356	3.101	86	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[6a]	4:4:2:3:	4:3:4:3:	4:3:3:	C[5,5,6]-4:C[5,5]-4:O[5,6]-2:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,5]C[5,5,6]C[5]H)(O[5,6]C[5,6])(C[6a]C[6a]2)	C[5,5,6](C[5,5,6]C[5,5]O[5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]CH)(C[5]N[5]O)	C[6a](C[5,5,6]C[5,5,6]C[5,5]O[5,6])(C[6a]C[6a]H)2	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,5]C[5,5,6]C[5]H)(O[5,6]C[5,6])(C[6a]C[6a]2){1|C<2>,1|N<2>,1|N<3>,1|O<1>,4|H<1>,7|C<3>}	C[5,5,6](C[5,5,6]C[5,5]O[5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]CH)(C[5]N[5]O){1|C<2>,2|C<4>,2|H<1>,5|C<3>}	C[6a](C[5,5,6]C[5,5,6]C[5,5]O[5,6])(C[6a]C[6a]H)2{3|C<4>,3|H<1>,4|C<3>}	116.2700	0.000	1	116.2700	0.000	1	116.2700	0.000	1	116.2700	0.000	1	117.0356	3.101	86	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[6a]	4:4:2:3:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[5,5,6](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[6a](C[5,5,6]C[5,5,6]C[5,6]O[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,5,6]C[5,5,6]C[5,6]O[5,5])(C[6a]C[6a]H)2{2|C<3>,3|C<4>,5|H<1>}	116.8790	1.113	2	116.8790	1.239	2	116.8790	1.239	2	116.8790	1.239	2	117.0356	3.101	86	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[6a]	4:4:2:3:	4:4:4:2:	4:3:3:	C[5,5,6]-4:C[5,6]-4:O[5,6]-2:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:C[6]-4:O[6]-2:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,5,6]C[6]O[6])(C[5,6]C[5,6]CC)(O[5,6]C[5,6])(C[6a]C[6a]2)	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C[6a])(C[5,5,6]C[5,6]2H)(C[6]C[6]HH)(O[6]C[6])	C[6a](C[5,5,6]C[5,5,6]C[5,6]O[5,6])(C[6a]C[6a]H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[6]O[6])(C[5,6]C[5,6]CC)(O[5,6]C[5,6])(C[6a]C[6a]2){2|C<3>,4|C<4>,7|H<1>}	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C[6a])(C[5,5,6]C[5,6]2H)(C[6]C[6]HH)(O[6]C[6]){2|C<3>,5|C<4>,6|H<1>}	C[6a](C[5,5,6]C[5,5,6]C[5,6]O[5,6])(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|H<1>,6|C<4>}	120.1480	0.000	1	120.1480	0.000	1	120.1480	0.000	1	120.1480	0.000	1	117.0356	3.101	86	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[6a]	4:4:3:2:	4:4:2:1:	4:3:3:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:S[5]-2:	C[5,5,6]-4:C[5,5,6]-4:S[5]-2:H-1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,5,6]S[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]2)(S[5]S[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]S[5])(C[5,5,6]C[5,5]C[5,6]H)(S[5]S[5])(H)	C[6a](C[5,5,6]C[5,5,6]2S[5])(C[6a]C[6a]H)2	C[5,5,6](C[5,5,6]C[5,5,6]S[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]2)(S[5]S[5]){1|C<4>,1|O<1>,2|C<3>,7|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]S[5])(C[5,5,6]C[5,5]C[5,6]H)(S[5]S[5])(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6a](C[5,5,6]C[5,5,6]2S[5])(C[6a]C[6a]H)2{1|C<3>,1|S<2>,1|S<3>,3|C<4>,4|H<1>}	116.1040	0.000	1	116.1040	0.000	1	116.1040	0.000	1	116.1040	0.000	1	117.0356	3.101	86	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[6a]	4:4:3:2:	4:4:4:1:	4:3:3:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:S[5]-2:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,5,6]S[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]2)(S[5]S[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]S[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[6a](C[5,5,6]C[5,5,6]2S[5])(C[6a]C[6a]H)2	C[5,5,6](C[5,5,6]C[5,5,6]S[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]2)(S[5]S[5]){1|C<4>,1|O<1>,2|C<3>,7|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]S[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|S<2>,1|S<3>,2|C<3>,4|H<1>}	C[6a](C[5,5,6]C[5,5,6]2S[5])(C[6a]C[6a]H)2{1|C<3>,1|S<2>,1|S<3>,3|C<4>,4|H<1>}	115.6850	0.000	1	115.6850	0.000	1	115.6850	0.000	1	115.6850	0.000	1	117.0356	3.101	86	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[6a]	4:4:3:3:	4:3:3:1:	4:3:3:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C[5,5]-3:H-1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]C[5])(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]C)(H)	C[6a](C[5,5,6]C[5,5,6]2C[5])(C[6a]C[6a]H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[6a]C[5])(C[6a]C[6a]2){4|H<1>,8|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]C[5])(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]C)(H){2|H<1>,8|C<3>}	C[6a](C[5,5,6]C[5,5,6]2C[5])(C[6a]C[6a]H)2{1|C<4>,4|H<1>,6|C<3>}	112.1600	0.000	1	112.1600	0.000	1	112.1085	0.005	2	112.6230	0.797	3	117.0356	3.101	86	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[6a]	4:4:3:3:	4:3:3:1:	4:3:3:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C[5,5]-3:H-1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]C[5])(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(H)	C[6a](C[5,5,6]C[5,5,6]2C[5])(C[6a]C[6a]H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|O<1>,4|H<1>,6|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]C[5])(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(H){2|H<1>,8|C<3>}	C[6a](C[5,5,6]C[5,5,6]2C[5])(C[6a]C[6a]H)2{1|C<4>,4|H<1>,6|C<3>}	112.0570	0.000	1	112.0570	0.000	1	112.1085	0.005	2	112.6230	0.797	3	117.0356	3.101	86	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[6a]	4:4:3:3:	4:3:3:1:	4:3:3:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:C[5]-3:	C[5,5,6]-4:C[5,6]-3:C[5,5]-3:H-1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]C[5])(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(H)	C[6a](C[5,5,6]C[5,5,6]2C[5])(C[6a]C[6a]H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]C){2|H<1>,2|O<1>,6|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]C[5])(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(H){1|H<1>,9|C<3>}	C[6a](C[5,5,6]C[5,5,6]2C[5])(C[6a]C[6a]H)2{1|C<4>,4|H<1>,6|C<3>}	113.6520	0.000	1	113.6520	0.000	1	113.6520	0.000	1	112.6230	0.797	3	117.0356	3.101	86	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[6a]	4:4:3:3:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]C[5])(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]C)(H)	C[6a](C[5,5,6]C[5,5,6]2C[5])(C[6a]C[6a]H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[6a]C[5])(C[6a]C[6a]2){4|H<1>,8|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]C[5])(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]C)(H){2|H<1>,6|C<3>}	C[6a](C[5,5,6]C[5,5,6]2C[5])(C[6a]C[6a]H)2{1|C<4>,4|H<1>,6|C<3>}	111.6480	0.000	1	111.6480	0.000	1	112.6890	2.167	2	113.1932	2.072	5	117.0356	3.101	86	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[6a]	4:4:3:3:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]C[5])(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]O)(H)	C[6a](C[5,5,6]C[5,5,6]2C[5])(C[6a]C[6a]H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|O<1>,4|H<1>,6|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]C[5])(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]O)(H){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5,5,6]C[5,5,6]2C[5])(C[6a]C[6a]H)2{1|C<4>,4|H<1>,6|C<3>}	113.7300	0.000	1	113.7300	0.000	1	112.6890	2.167	2	113.1932	2.072	5	117.0356	3.101	86	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[6a]	4:4:3:3:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:C[5]-3:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]C[5])(C[5,5,6]C[5,5]C[5,6]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,5,6]C[5,5,6]2C[5])(C[6a]C[6a]H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]C){2|H<1>,2|O<1>,6|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[6a]C[5])(C[5,5,6]C[5,5]C[5,6]C[6a])(C[5]C[5]O)(H){1|H<1>,1|O<1>,8|C<3>}	C[6a](C[5,5,6]C[5,5,6]2C[5])(C[6a]C[6a]H)2{1|C<4>,4|H<1>,6|C<3>}	111.6620	0.000	1	111.6620	0.000	1	111.6620	0.000	1	113.1932	2.072	5	117.0356	3.101	86	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[6a]	4:4:3:3:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(C[6a]C[6a]2)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5]O[5]O)(H)	C[6a](C[5,5,6]C[5,5,6]C[5,5]C[5,6])(C[6a]C[6a]H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(C[6a]C[6a]2){1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5]O[5]O)(H){1|O<1>,3|C<3>,4|H<1>}	C[6a](C[5,5,6]C[5,5,6]C[5,5]C[5,6])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,6|H<1>}	114.4630	0.211	2	114.4630	0.044	2	114.4630	0.044	2	113.1932	2.072	5	117.0356	3.101	86	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[6a]	4:4:4:3:	4:2:2:4:	4:3:3:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:C[6a]-3:	C[5,5,6]-4:O[5,6]-2:O[5,6]-2:C-4:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5]H)(C[5,5,6]O[5,6]2C)(C[5,6]C[5,6,6]HH)(C[6a]C[6a]2)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]C[6a])(O[5,6]C[5,5,6,6])(O[5,6]C[5,6,6])(CF3)	C[6a](C[5,5,6]C[5,5,6]2C[5,6])(C[6a]C[6a]H)2	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5]H)(C[5,5,6]O[5,6]2C)(C[5,6]C[5,6,6]HH)(C[6a]C[6a]2){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]C[6a])(O[5,6]C[5,5,6,6])(O[5,6]C[5,6,6])(CF3){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5,5,6]C[5,5,6]2C[5,6])(C[6a]C[6a]H)2{2|C<3>,2|O<2>,3|C<4>,5|H<1>}	117.3580	0.000	1	117.3580	0.000	1	117.3580	0.000	1	117.3580	0.000	1	117.0356	3.101	86	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[6a]	4:4:4:3:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:C[6a]-3:	C[5,5,6,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5]H)(C[5,5,6]O[5,6]2C)(C[5,6]C[5,6,6]HH)(C[6a]C[6a]2)	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6a]O[5,6])(C[5,5,6]C[5,5,6]C[5,6]C[6a])(C[5]C[5,6a]O)(H)	C[6a](C[5,5,6]C[5,5,6]2C[5,6])(C[6a]C[6a]H)2	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5]H)(C[5,5,6]O[5,6]2C)(C[5,6]C[5,6,6]HH)(C[6a]C[6a]2){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6a]O[5,6])(C[5,5,6]C[5,5,6]C[5,6]C[6a])(C[5]C[5,6a]O)(H){1|O<2>,2|C<4>,2|H<1>,6|C<3>}	C[6a](C[5,5,6]C[5,5,6]2C[5,6])(C[6a]C[6a]H)2{2|C<3>,2|O<2>,3|C<4>,5|H<1>}	116.8450	0.000	1	116.8450	0.000	1	116.8450	0.000	1	116.8450	0.000	1	117.0356	3.101	86	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[6,6a]	3:2:4:4:	4:4:4:1:	4:3:3:	C[6,6a]-3:O[5,6]-2:C[5,5]-4:C[5]-4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,5,6])(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](C[5,5,6]C[6,6a]O[5,6]C[5])(C[5]C[5,5,6]HH)(C[5]C[5]HH)(H)	C[6,6a](C[5,5,6]C[5,5]O[5,6]C[5])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,5,6])(C[5,5]C[5]2H)(C[5]C[5]HH){2|C<3>,2|C<4>,7|H<1>}	C[5,5](C[5,5,6]C[6,6a]O[5,6]C[5])(C[5]C[5,5,6]HH)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[5,5,6]C[5,5]O[5,6]C[5])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<3>,5|C<4>,6|H<1>}	111.4630	0.000	1	111.4630	0.000	1	111.2035	0.135	2	111.2035	0.135	2	114.6022	16.573	9	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[6,6a]	3:2:4:4:	4:4:4:1:	4:3:3:	C[6,6a]-3:O[5,6]-2:C[5,5]-4:C[5]-4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6,6])(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](C[5,5,6]C[6,6a]O[5,6]C[5])(C[5]C[5,6,6]HH)(C[5]C[5]HH)(H)	C[6,6a](C[5,5,6]C[5,5]O[5,6]C[5])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6,6])(C[5,5]C[5]2H)(C[5]C[5]HH){2|C<3>,2|C<4>,7|H<1>}	C[5,5](C[5,5,6]C[6,6a]O[5,6]C[5])(C[5]C[5,6,6]HH)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[5,5,6]C[5,5]O[5,6]C[5])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H){1|C<3>,5|C<4>,6|H<1>}	110.9440	0.000	1	110.9440	0.000	1	111.2035	0.135	2	111.2035	0.135	2	114.6022	16.573	9	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[6,6a]	3:3:4:4:	4:4:4:1:	4:3:3:	C[6,6a]-3:C[5,6]-3:C[5,5]-4:C[5]-4:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5]C[5,6]CC)(C[5]C[5]HH)(H)	C[6,6a](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O)(C[5,5]C[5]2H)(C[5]C[5]HH){1|Cl<1>,2|C<4>,3|H<1>,4|C<3>}	C[5,5](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5]C[5,6]CC)(C[5]C[5]HH)(H){1|Cl<1>,1|O<1>,2|H<1>,4|C<3>}	C[6,6a](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|O<1>,2|O<2>,3|C<4>,3|H<1>}	111.1390	0.000	1	111.1390	0.000	1	111.1390	0.000	1	111.1390	0.000	1	114.6022	16.573	9	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[6,6a]	3:4:3:3:	4:4:2:1:	4:3:3:	C[6,6a]-3:C[5,5]-4:N[5,6]-3:C[5]-3:	C[5,5,6]-4:C[5]-4:N[5]-2:H-1:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]N[5]H)(N[5,6]C[6]N[5])(C[5]C[5]O)	C[5,5](C[5,5,6]C[6,6a]N[5,6]C[5])(C[5]C[5]HH)(N[5]N[5])(H)	C[6,6a](C[5,5,6]C[5,5]N[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]N[5]H)(N[5,6]C[6]N[5])(C[5]C[5]O){1|C<4>,2|C<3>,7|H<1>}	C[5,5](C[5,5,6]C[6,6a]N[5,6]C[5])(C[5]C[5]HH)(N[5]N[5])(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[5,5,6]C[5,5]N[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<3>,1|O<1>,1|O<2>,2|N<2>,3|C<4>,4|H<1>}	117.3480	0.000	1	117.3480	0.000	1	117.3480	0.000	1	117.3480	0.000	1	114.6022	16.573	9	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[6,6a]	3:4:3:4:	4:3:3:1:	4:3:3:	C[6,6a]-3:C[5,5]-4:C[5,6]-3:C[5]-4:	C[5,5,6]-4:C[5]-3:N[5]-3:H-1:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)	C[5,5](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5]C[5]O)(N[5]C[5]C)(H)	C[6,6a](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6])(C[5]C[5]HH){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[5,5](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5]C[5]O)(N[5]C[5]C)(H){3|C<3>,5|H<1>}	C[6,6a](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<4>,1|N<3>,1|O<2>,4|C<3>,5|H<1>}	118.8390	0.000	1	118.8390	0.000	1	118.8390	0.000	1	118.8390	0.000	1	114.6022	16.573	9	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[6,6a]	3:4:4:2:	4:4:4:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5,5]-4:O[5]-2:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5,5]C[5]2H)(O[5]C[5])	C[5,5](C[5,5,6]C[6,6a]C[5,6]O[5])(C[5]C[5]CC)(C[5]C[5]HH)(H)	C[6,6a](C[5,5,6]C[5,5]C[5,6]O[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5,5]C[5]2H)(O[5]C[5]){1|N<3>,2|C<3>,2|C<4>,9|H<1>}	C[5,5](C[5,5,6]C[6,6a]C[5,6]O[5])(C[5]C[5]CC)(C[5]C[5]HH)(H){1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[5,5,6]C[5,5]C[5,6]O[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|C<3>,3|H<1>,5|C<4>}	122.5170	0.000	1	122.5170	0.000	1	122.5170	0.000	1	122.5170	0.000	1	114.6022	16.573	9	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[6,6a]	3:4:4:3:	4:3:3:1:	4:3:3:	C[6,6a]-3:C[5,5]-4:C[5,6]-4:C[5]-3:	C[5,5,6]-4:C[5]-3:N[5]-3:H-1:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,6]C[6]N[5]H)(C[5]C[5]C)	C[5,5](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5]N[5]O)(N[5]C[5]C)(H)	C[6,6a](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,6]C[6]N[5]H)(C[5]C[5]C){2|C<4>,2|O<1>,3|C<3>,3|H<1>}	C[5,5](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5]N[5]O)(N[5]C[5]C)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6,6a](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|N<3>,4|C<3>,4|H<1>}	112.7700	0.000	1	112.7700	0.000	1	112.7700	0.000	1	112.7700	0.000	1	114.6022	16.573	9	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[6,6a]	3:4:4:4:	4:4:3:1:	4:3:3:	C[6,6a]-3:C[5,5]-4:C[5,6]-4:C[5]-4:	C[5,5,6]-4:C[5]-4:N[5]-3:H-1:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)	C[5,5](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5]C[5]HO)(N[5]C[5]C)(H)	C[6,6a](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<2>,3|C<3>,7|H<1>}	C[5,5](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5]C[5]HO)(N[5]C[5]C)(H){1|C<4>,2|C<3>,7|H<1>}	C[6,6a](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,4|C<4>,6|H<1>}	112.2170	0.000	1	112.2170	0.000	1	112.2170	0.000	1	112.2170	0.000	1	114.6022	16.573	9	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[6,6a]	4:3:4:3:	4:3:4:2:	4:3:3:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,5,6]-4:C[6a]-3:C[5]-4:O[5]-2:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6](C[5,5]C[6a]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]C)	C[5,5](C[5,5,6]C[6,6a]C[5,6]C[5])(C[6a]C[6a]N[6a])(C[5]C[5]HH)(O[5]C[5])	C[6,6a](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,5,6](C[5,5]C[6a]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]C){1|N<2>,1|N<3>,1|O<2>,4|C<3>,6|H<1>}	C[5,5](C[5,5,6]C[6,6a]C[5,6]C[5])(C[6a]C[6a]N[6a])(C[5]C[5]HH)(O[5]C[5]){1|C<2>,1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6,6a](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<2>,1|O<2>,3|C<3>,3|C<4>,3|H<1>}	114.1830	0.000	1	114.1830	0.000	1	114.1830	0.000	1	114.1830	0.000	1	114.6022	16.573	9	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[6a]	3:4:4:3:	4:4:1:1:	4:3:3:	C[5,5a,6]-3:C[5,6]-4:C[5,5]-4:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[6a]C[6a]2)	C[5,5](C[5,5,6]C[5,5a,6]C[5,6]C[6a])(C[5,5,6]C[5,5a,6]C[5,6]H)(H)2	C[6a](C[5,5,6]C[5,5a,6]C[5,5]C[5,6])(C[6a]C[6a]H)2	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[6a]C[6a]2){1|N<3>,5|C<3>,6|H<1>}	C[5,5](C[5,5,6]C[5,5a,6]C[5,6]C[6a])(C[5,5,6]C[5,5a,6]C[5,6]H)(H)2{3|H<1>,5|C<3>}	C[6a](C[5,5,6]C[5,5a,6]C[5,5]C[5,6])(C[6a]C[6a]H)2{2|C<4>,4|C<3>,5|H<1>}	119.2100	0.000	1	119.2100	0.000	1	119.2100	0.000	1	119.2100	0.000	1	118.1688	2.379	17	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[6a]	4:3:3:3:	4:3:3:2:	4:3:3:	C[5,5]-4:N[5,6]-3:N[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[6a]-3:N[5]-3:N[5]-2:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](C[5,5]C[6a]N[5]2)(N[5,6]C[5]C[6])2(C[6a]C[6a]2)	C[5,5](C[5,5,6]N[5,6]2C[6a])(C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5])	C[6a](C[5,5,6]C[5,5]N[5,6]2)(C[6a]C[6a]H)2	C[5,5,6](C[5,5]C[6a]N[5]2)(N[5,6]C[5]C[6])2(C[6a]C[6a]2){1|N<3>,2|S<1>,4|C<3>,7|H<1>}	C[5,5](C[5,5,6]N[5,6]2C[6a])(C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5]){2|C<4>,2|H<1>,2|S<1>,4|C<3>}	C[6a](C[5,5,6]C[5,5]N[5,6]2)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<4>,2|H<1>,4|C<3>}	118.5820	0.000	1	118.5820	0.000	1	118.5820	0.000	1	118.5820	0.000	1	118.1688	2.379	17	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[6a]	4:3:3:3:	4:3:3:3:	4:3:3:	C[5,5]-4:N[5,6]-3:N[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[6a]-3:N[5]-3:N[5]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](C[5,5]C[6a]N[5]2)(N[5,6]C[5]C[6])2(C[6a]C[6a]2)	C[5,5](C[5,5,6]N[5,6]2C[6a])(C[6a]C[6a]2)(N[5]C[5]H)2	C[6a](C[5,5,6]C[5,5]N[5,6]2)(C[6a]C[6a]H)2	C[5,5,6](C[5,5]C[6a]N[5]2)(N[5,6]C[5]C[6])2(C[6a]C[6a]2){1|N<3>,2|O<1>,4|C<3>,8|H<1>}	C[5,5](C[5,5,6]N[5,6]2C[6a])(C[6a]C[6a]2)(N[5]C[5]H)2{2|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[5,5,6]C[5,5]N[5,6]2)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,2|N<3>,4|C<3>}	116.0600	0.000	1	116.6805	0.770	2	116.6805	0.770	2	116.6805	0.770	2	118.1688	2.379	17	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[6a]	4:3:3:3:	4:3:3:3:	4:3:3:	C[5,5]-4:N[5,6]-3:N[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[6a]-3:N[5]-3:N[5]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](C[5,5]C[6a]N[5]2)(N[5,6]C[5]C[6])2(C[6a]C[6a]2)	C[5,5](C[5,5,6]N[5,6]2C[6a])(C[6a]C[6a]2)(N[5]C[5]H)2	C[6a](C[5,5,6]C[5,5]N[5,6]2)(C[6a]C[6a]H)2	C[5,5,6](C[5,5]C[6a]N[5]2)(N[5,6]C[5]C[6])2(C[6a]C[6a]2){1|N<3>,2|S<1>,4|C<3>,8|H<1>}	C[5,5](C[5,5,6]N[5,6]2C[6a])(C[6a]C[6a]2)(N[5]C[5]H)2{2|C<4>,2|H<1>,2|S<1>,4|C<3>}	C[6a](C[5,5,6]C[5,5]N[5,6]2)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,2|N<3>,4|C<3>}	117.3010	0.000	1	116.6805	0.770	2	116.6805	0.770	2	116.6805	0.770	2	118.1688	2.379	17	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[6a]	4:3:4:3:	4:3:3:2:	4:3:3:	C[5,5]-4:N[5,6]-3:C[5,6]-4:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:N[5]-3:O-2:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](C[5,5]C[5,6a]N[5]O)(N[5,6]C[5,6a]C[6])(C[5,6]C[5]N[6]H)(C[6a]C[6a]2)	C[5,5](C[5,5,6]C[5,6]N[5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(OH)	C[6a](C[5,5,6]C[5,5]C[5,6]N[5,6])(C[6a]C[6a]H)2	C[5,5,6](C[5,5]C[5,6a]N[5]O)(N[5,6]C[5,6a]C[6])(C[5,6]C[5]N[6]H)(C[6a]C[6a]2){1|C<4>,2|O<1>,3|H<1>,5|C<3>}	C[5,5](C[5,5,6]C[5,6]N[5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(OH){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5,5,6]C[5,5]C[5,6]N[5,6])(C[6a]C[6a]H)2{1|O<2>,2|N<3>,3|H<1>,5|C<3>}	115.9065	0.757	2	115.9065	0.574	2	115.9065	0.574	2	115.9065	0.574	2	118.1688	2.379	17	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[6a]	4:4:2:3:	4:4:4:1:	4:3:3:	C[5,5,6]-4:C[5,5]-4:O[5,6]-2:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,5]C[5,5,6]C[5]H)(O[5,6]C[5,6])(C[6a]C[6a]2)	C[5,5](C[5,5,6]C[5,5,6]O[5,6]C[6a])(C[5,5,6]C[5,6]2C)(C[5]C[5,6a]C[5]H)(H)	C[6a](C[5,5,6]C[5,5,6]C[5,5]O[5,6])(C[6a]C[6a]H)2	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,5]C[5,5,6]C[5]H)(O[5,6]C[5,6])(C[6a]C[6a]2){1|C<2>,1|N<2>,1|N<3>,1|O<1>,4|H<1>,7|C<3>}	C[5,5](C[5,5,6]C[5,5,6]O[5,6]C[6a])(C[5,5,6]C[5,6]2C)(C[5]C[5,6a]C[5]H)(H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,7|C<3>}	C[6a](C[5,5,6]C[5,5,6]C[5,5]O[5,6])(C[6a]C[6a]H)2{3|C<4>,3|H<1>,4|C<3>}	119.9870	0.000	1	119.9870	0.000	1	119.9870	0.000	1	119.9870	0.000	1	118.1688	2.379	17	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[6a]	4:4:3:3:	4:4:1:1:	4:3:3:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(C[6a]C[6a]2)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C[6a])(C[5,5,6]C[5,5,6]C[5,6]H)(H)2	C[6a](C[5,5,6]C[5,5,6]C[5,5]C[5,6])(C[6a]C[6a]H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(C[6a]C[6a]2){1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C[6a])(C[5,5,6]C[5,5,6]C[5,6]H)(H)2{3|H<1>,5|C<3>}	C[6a](C[5,5,6]C[5,5,6]C[5,5]C[5,6])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,6|H<1>}	119.1530	1.206	2	119.1530	1.455	2	119.1530	1.455	2	119.7086	0.660	5	118.1688	2.379	17	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[6a]	4:4:3:3:	4:4:1:1:	4:3:3:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]C)(C[6a]C[6a]2)	C[5,5](C[5,5,6]C[5,6]2C[6a])(C[5,5,6]C[5,6]2H)(H)2	C[6a](C[5,5,6]C[5,5]C[5,6]2)(C[6a]C[6a]H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]C)(C[6a]C[6a]2){4|C<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]2C[6a])(C[5,5,6]C[5,6]2H)(H)2{1|C<2>,2|H<1>,5|C<3>}	C[6a](C[5,5,6]C[5,5]C[5,6]2)(C[6a]C[6a]H)2{1|C<2>,2|C<4>,3|C<3>,5|H<1>}	119.9830	0.000	1	119.9830	0.000	1	120.0790	0.078	3	119.7086	0.660	5	118.1688	2.379	17	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[6a]	4:4:3:3:	4:4:1:1:	4:3:3:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]O[5,6]O)(C[6a]C[6a]2)	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5,6]C[5,6]2C[6a])(H)2	C[6a](C[5,5,6]C[5,5]C[5,6]2)(C[6a]C[6a]H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]O[5,6]O)(C[6a]C[6a]2){1|I<1>,2|C<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5,6]C[5,6]2C[6a])(H)2{1|I<1>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5,5,6]C[5,5]C[5,6]2)(C[6a]C[6a]H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,6|H<1>}	120.1270	0.378	2	120.1270	0.143	2	120.0790	0.078	3	119.7086	0.660	5	118.1688	2.379	17	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[6a]	4:4:4:3:	4:4:1:1:	4:3:3:	C[3,5,6]-4:C[5,5]-4:C[5,6]-4:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](C[3,5,6]C[3,5,6]O[3]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[6a]C[6a]2)	C[5,5](C[5,5,6]C[3,5,6]C[5,6]C[6a])(C[5,5,6]C[3,5,6]C[5,6]H)(H)2	C[6a](C[5,5,6]C[3,5,6]C[5,5]C[5,6])(C[6a]C[6a]H)2	C[5,5,6](C[3,5,6]C[3,5,6]O[3]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[6a]C[6a]2){1|C<4>,2|C<3>,5|H<1>}	C[5,5](C[5,5,6]C[3,5,6]C[5,6]C[6a])(C[5,5,6]C[3,5,6]C[5,6]H)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,5,6]C[3,5,6]C[5,5]C[5,6])(C[6a]C[6a]H)2{1|C<3>,1|O<2>,4|C<4>,6|H<1>}	117.4748	0.387	5	117.4748	0.149	5	117.4748	0.149	5	117.4748	0.149	5	118.1688	2.379	17	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,6,6]	C[6a]	3:4:2:3:	4:3:4:2:	4:3:3:	C[5,6,6a]-3:C[5,6,6]-4:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[5,6,6]-3:C[6]-4:C-2:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]C)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6]C[5,5,6]C[6])(C[6]C[6]HH)(CN)	C[6a](C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]C)(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|C<4>,5|H<1>,6|C<3>}	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6]C[5,5,6]C[6])(C[6]C[6]HH)(CN){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])(C[6a]C[6a]H)2{1|C<2>,2|C<4>,2|H<1>,4|C<3>}	116.3863	1.416	3	116.3863	2.004	3	116.3863	2.004	3	116.3863	2.004	3	117.0500	4.068	14	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,6,6]	C[6a]	3:4:2:3:	4:3:4:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6]-4:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C[6]-4:C[6]-4:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6]C[6]2)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]C)(C[6]C[6]HH)2	C[6a](C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6]C[6]2)(O[5,5]C[5,5,6])(C[6a]C[6a]2){2|C<4>,6|C<3>,7|H<1>}	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]C)(C[6]C[6]HH)2{1|C<4>,4|H<1>,5|C<3>}	C[6a](C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])(C[6a]C[6a]H)2{2|H<1>,3|C<4>,4|C<3>}	120.0930	0.000	1	120.0930	0.000	1	120.0930	0.000	1	120.0930	0.000	1	117.0500	4.068	14	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,6,6]	C[6a]	3:4:2:3:	4:4:3:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6]-4:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6]C[5,5,6]C[3,6]H)(C[6]C[6]O)(H)	C[6a](C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|C<4>,1|O<1>,4|H<1>,6|C<3>}	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6]C[5,5,6]C[3,6]H)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	C[6a](C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	119.3610	0.000	1	119.3610	0.000	1	116.7225	13.923	2	116.7225	13.923	2	117.0500	4.068	14	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,6,6]	C[6a]	3:4:2:3:	4:4:3:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6]-4:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6]C[5,5,6]C[4,6]H)(C[6]C[6]O)(H)	C[6a](C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|C<4>,1|O<1>,4|H<1>,6|C<3>}	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6]C[5,5,6]C[4,6]H)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	C[6a](C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	114.0840	0.000	1	114.0840	0.000	1	116.7225	13.923	2	116.7225	13.923	2	117.0500	4.068	14	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,6,6]	C[6a]	3:4:3:3:	4:4:3:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]O)(C[6a]C[6a]2)	C[5,6,6](C[5,5,6]C[5,6,6a]C[5,5]C[6a])(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6a]O)(H)	C[6a](C[5,5,6]C[5,6,6a]C[5,6,6]C[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]O)(C[6a]C[6a]2){1|O<1>,3|H<1>,8|C<3>}	C[5,6,6](C[5,5,6]C[5,6,6a]C[5,5]C[6a])(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6a]O)(H){2|O<1>,7|C<3>}	C[6a](C[5,5,6]C[5,6,6a]C[5,6,6]C[5,5])(C[6a]C[6a]H)2{1|O<1>,2|C<4>,3|H<1>,4|C<3>}	119.7460	0.000	1	119.7460	0.000	1	119.7460	0.000	1	119.7460	0.000	1	117.0500	4.068	14	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,6,6]	C[6a]	4:3:2:3:	4:4:3:1:	4:3:3:	C[5,6,6]-4:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[5,6,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]P[5,5,6])(C[6a]C[6a]2)	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6]P[5,5,6]C[6]H)(C[5,6]C[5,6]C[5])(H)	C[6a](C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]P[5,5,6])(C[6a]C[6a]2){1|Mo<6>,1|C<4>,4|H<1>,6|C<3>}	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6]P[5,5,6]C[6]H)(C[5,6]C[5,6]C[5])(H){1|Mo<6>,1|O<2>,1|P<4>,2|H<1>,6|C<3>}	C[6a](C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])(C[6a]C[6a]H)2{1|C<4>,1|P<4>,3|H<1>,4|C<3>}	114.3830	0.000	1	114.3830	0.000	1	114.3830	0.000	1	114.3830	0.000	1	117.0500	4.068	14	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,6,6]	C[6a]	4:3:2:3:	4:4:4:1:	4:3:3:	C[5,6,6]-4:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[5,6,6]-4:C[3,6]-4:H-1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]C[5,6,6]C[3,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6]C[5,5,6]C[6]H)(C[3,6]C[3]C[6]O[3])(H)	C[6a](C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[5,6,6]C[5,6,6]C[3,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|C<4>,1|O<2>,4|H<1>,7|C<3>}	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6]C[5,5,6]C[6]H)(C[3,6]C[3]C[6]O[3])(H){1|O<1>,3|H<1>,6|C<3>}	C[6a](C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	118.9780	0.000	1	118.9780	0.000	1	118.9780	0.000	1	118.7675	0.089	2	117.0500	4.068	14	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,6,6]	C[6a]	4:3:2:3:	4:4:4:1:	4:3:3:	C[5,6,6]-4:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[5,6,6]-4:C[4,6]-4:H-1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]C[5,6,6]C[4,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6]C[5,5,6]C[6]H)(C[4,6]C[4]C[6]O[4])(H)	C[6a](C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[5,6,6]C[5,6,6]C[4,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|C<4>,1|O<2>,4|H<1>,7|C<3>}	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6]C[5,5,6]C[6]H)(C[4,6]C[4]C[6]O[4])(H){1|C<4>,1|O<1>,3|H<1>,6|C<3>}	C[6a](C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	118.5570	0.000	1	118.5570	0.000	1	118.5570	0.000	1	118.7675	0.089	2	117.0500	4.068	14	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,6,6]	C[6a]	4:4:2:3:	4:4:4:2:	4:3:3:	C[5,6,6]-4:C[5,6]-4:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:C[6]-4:O[6]-2:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]C[5,6]C[6]O[6])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[5,6,6](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(O[6]C[6])	C[6a](C[5,5,6]C[5,6,6]C[5,6]O[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[5,6,6]C[5,6]C[6]O[6])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[6a]C[6a]2){2|C<3>,3|C<4>,8|H<1>}	C[5,6,6](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(O[6]C[6]){2|C<3>,3|C<4>,6|H<1>}	C[6a](C[5,5,6]C[5,6,6]C[5,6]O[5,5])(C[6a]C[6a]H)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	116.0847	0.139	4	116.0847	0.019	4	116.0847	0.019	4	116.0847	0.019	4	117.0500	4.068	14	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[6a]	3:3:4:2:	4:4:3:1:	4:3:3:	C[5,6,6a]-3:C[6a]-3:C[5,6]-4:O[5,5]-2:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[6a]C[6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]C[3]H)(CCO)(H)	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[6a]C[6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6]){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]C[3]H)(CCO)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>,4|C<4>}	118.2010	0.000	1	118.2010	0.000	1	118.2010	0.000	1	118.2010	0.000	1	116.3877	4.705	63	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[6a]	3:3:4:3:	4:4:1:1:	4:3:3:	C[5,6]-3:C[5,5]-3:C[5,6]-4:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](C[5,6]C[5,6,6]C[6a])(C[5,5]C[5,5,6,6]O)(C[5,6]C[5,6]HH)(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6,6]HH)(H)2	C[6a](C[5,5,6]C[5,5]C[5,6]2)(C[6a]C[6a]H)2	C[5,5,6](C[5,6]C[5,6,6]C[6a])(C[5,5]C[5,5,6,6]O)(C[5,6]C[5,6]HH)(C[6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6,6]HH)(H)2{1|C<4>,1|O<1>,4|C<3>}	C[6a](C[5,5,6]C[5,5]C[5,6]2)(C[6a]C[6a]H)2{1|O<1>,2|C<4>,3|C<3>,4|H<1>}	118.8810	0.000	1	118.8810	0.000	1	117.6788	1.403	5	117.6788	1.403	5	116.3877	4.705	63	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[6a]	3:3:4:3:	4:4:1:1:	4:3:3:	C[5,6]-3:C[5,5]-3:C[5,6]-4:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]CH)(H)2	C[6a](C[5,5,6]C[5,5]C[5,6]2)(C[6a]C[6a]H)2	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]CH)(H)2{1|O<1>,5|C<3>}	C[6a](C[5,5,6]C[5,5]C[5,6]2)(C[6a]C[6a]H)2{1|O<1>,2|C<4>,3|C<3>,4|H<1>}	116.2520	0.000	1	116.2520	0.000	1	117.6788	1.403	5	117.6788	1.403	5	116.3877	4.705	63	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[6a]	3:3:4:3:	4:4:1:1:	4:3:3:	C[5,6]-3:C[5,5]-3:C[5,6]-4:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]C[6a]H)(H)2	C[6a](C[5,5,6]C[5,5]C[5,6]2)(C[6a]C[6a]H)2	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]C[6a]H)(H)2{1|O<1>,7|C<3>}	C[6a](C[5,5,6]C[5,5]C[5,6]2)(C[6a]C[6a]H)2{1|O<1>,2|C<4>,3|C<3>,4|H<1>}	117.7537	1.028	3	117.7537	1.056	3	117.6788	1.403	5	117.6788	1.403	5	116.3877	4.705	63	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[6a]	3:3:4:3:	4:4:3:1:	4:3:3:	C[5,6,6a]-3:C[5,5]-3:C[5,6]-4:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]CH)(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]C[6a])(C[5,6]C[5,5,6]C[6a]H)(COO)(H)	C[6a](C[5,5,6]C[5,6,6a]C[5,5]C[5,6])(C[6a]C[6a]H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]CH)(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]C[6a])(C[5,6]C[5,5,6]C[6a]H)(COO)(H){1|O<1>,7|C<3>}	C[6a](C[5,5,6]C[5,6,6a]C[5,5]C[5,6])(C[6a]C[6a]H)2{1|O<1>,2|C<4>,3|H<1>,4|C<3>}	119.8760	0.000	1	119.8760	0.000	1	119.8760	0.000	1	119.0800	1.267	2	116.3877	4.705	63	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[6a]	3:3:4:3:	4:4:3:1:	4:3:3:	C[5,6]-3:C[5,5]-3:C[5,6]-4:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]CH)(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]HH)(CNO)(H)	C[6a](C[5,5,6]C[5,5]C[5,6]2)(C[6a]C[6a]H)2	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]CH)(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]HH)(CNO)(H){1|O<1>,5|C<3>}	C[6a](C[5,5,6]C[5,5]C[5,6]2)(C[6a]C[6a]H)2{1|O<1>,2|C<4>,3|H<1>,4|C<3>}	118.2840	0.000	1	118.2840	0.000	1	118.2840	0.000	1	119.0800	1.267	2	116.3877	4.705	63	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[6a]	3:4:2:3:	4:3:3:1:	4:3:3:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C-3:H-1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]C)(COO)(H)	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]C)(COO)(H){5|C<3>}	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,5|C<3>}	117.9230	0.000	1	117.9230	0.000	1	117.9230	0.000	1	117.9230	0.000	1	116.3877	4.705	63	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[6a]	3:4:2:3:	4:3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:P[6]-4:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[6a]P[6])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]C)(C[6a]C[6a]2)(P[6]O[6]2O)	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[6a]P[6])(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|O<1>,2|O<2>,3|H<1>,8|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]C)(C[6a]C[6a]2)(P[6]O[6]2O){2|C<4>,2|H<1>,7|C<3>}	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6a]C[6a]H)2{1|C<4>,1|P<4>,2|H<1>,5|C<3>}	119.5357	2.680	3	119.5357	7.182	3	119.5357	7.182	3	119.5357	7.182	3	116.3877	4.705	63	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[6a]	3:4:2:3:	4:4:1:1:	4:3:3:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:P[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]P[5,6]HH)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(P[5,6]C[5,5,6]ClW)(H)2	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]P[5,6]HH)(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|Cl<1>,1|W<6>,3|H<1>,5|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(P[5,6]C[5,5,6]ClW)(H)2{5|C<3>}	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6a]C[6a]H)2{1|C<4>,1|P<4>,3|C<3>,4|H<1>}	116.0240	0.000	1	116.0240	0.000	1	116.0240	0.000	1	116.5380	0.568	3	116.3877	4.705	63	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[6a]	3:4:2:3:	4:4:1:1:	4:3:3:	C[5,6]-3:C[5,6]-4:S[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](C[5,6]N[5,5,6]O)(C[5,6]C[5,6]HH)(S[5,5]C[3x5,6])(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,6]C[3x5,6]CH)(H)2	C[6a](C[5,5,6]C[5,6]2S[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[5,6]N[5,5,6]O)(C[5,6]C[5,6]HH)(S[5,5]C[3x5,6])(C[6a]C[6a]2){1|C<2>,1|C<4>,1|S<2>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,6]C[3x5,6]CH)(H)2{1|N<3>,1|O<1>,1|S<2>,2|C<3>}	C[6a](C[5,5,6]C[5,6]2S[5,5])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	116.7950	0.860	2	116.7950	0.739	2	116.7950	0.739	2	116.5380	0.568	3	116.3877	4.705	63	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[6a]	3:4:2:3:	4:4:3:1:	4:2:3:	C[6a]-3:C[5,6]-4:S[5,5]-2:N[5,6]-3:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:N[6a]-2:C[6a]-3:	C[5,5,6](C[6a]C[6a]N[6a])(C[5,6]C[5,6]CH)(S[5,5]C[5,5,6])(N[5,6]C[5,6]H)	C[5,6](C[5,5,6]N[5,6]S[5,5]C[6a])(C[5,6]C[5,5,6]CH)(CC[6a]O)(H)	C[6a](C[5,5,6]C[5,6]N[5,6]S[5,5])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[5,5,6](C[6a]C[6a]N[6a])(C[5,6]C[5,6]CH)(S[5,5]C[5,5,6])(N[5,6]C[5,6]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5,5,6]N[5,6]S[5,5]C[6a])(C[5,6]C[5,5,6]CH)(CC[6a]O)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5,5,6]C[5,6]N[5,6]S[5,5])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	116.2610	0.586	3	116.2610	0.343	3	116.2610	0.343	3	116.2623	0.177	7	116.3877	4.705	63	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[6a]	3:4:2:3:	4:4:3:1:	4:2:3:	C[6a]-3:C[5,6]-4:S[5,5]-2:N[5,6]-3:	C[5,5,6]-4:C[5,6]-4:N-3:H-1:	C[5,5,6]-4:N[6a]-2:C[6a]-3:	C[5,5,6](C[6a]C[6a]N[6a])(C[5,6]C[5,6]HN)(S[5,5]C[5,5,6])(N[5,6]C[5,6]H)	C[5,6](C[5,5,6]N[5,6]S[5,5]C[6a])(C[5,6]C[5,5,6]C[6a]H)(NOO)(H)	C[6a](C[5,5,6]C[5,6]N[5,6]S[5,5])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[5,5,6](C[6a]C[6a]N[6a])(C[5,6]C[5,6]HN)(S[5,5]C[5,5,6])(N[5,6]C[5,6]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5,5,6]N[5,6]S[5,5]C[6a])(C[5,6]C[5,5,6]C[6a]H)(NOO)(H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5,5,6]C[5,6]N[5,6]S[5,5])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	116.2632	0.355	4	116.2632	0.126	4	116.2632	0.126	4	116.2623	0.177	7	116.3877	4.705	63	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[6a]	3:4:2:3:	4:4:3:1:	4:3:3:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]HH)(COO)(H)	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|Cl<1>,1|N<2>,1|S<2>,3|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]HH)(COO)(H){1|S<2>,4|C<3>}	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	120.6750	0.000	1	120.6750	0.000	1	120.6750	0.000	1	117.6205	18.660	2	116.3877	4.705	63	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[6a]	3:4:2:3:	4:4:3:1:	4:3:3:	C[5,6]-3:C[5,6]-4:S[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](C[5,6]N[5,5,6]O)(C[5,6]C[5,6]CH)(S[5,5]C[3x5,6])(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,6]C[3x5,6]CH)(COO)(H)	C[6a](C[5,5,6]C[5,6]2S[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[5,6]N[5,5,6]O)(C[5,6]C[5,6]CH)(S[5,5]C[3x5,6])(C[6a]C[6a]2){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,6]C[3x5,6]CH)(COO)(H){1|N<3>,1|O<1>,1|S<2>,2|C<3>}	C[6a](C[5,5,6]C[5,6]2S[5,5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	114.5660	0.000	1	114.5660	0.000	1	114.5660	0.000	1	117.6205	18.660	2	116.3877	4.705	63	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[6a]	3:4:3:2:	4:4:4:1:	4:3:3:	C[5,6,6a]-3:C[5,6]-4:C[6a]-3:O[5,5]-2:	C[5,5,6]-4:C[5,6]-4:C[3]-4:H-1:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[3]H)(C[6a]C[6,6a]C[6a])(O[5,5]C[5,5,6])	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]CH)(C[3]C[3]O[3]H)(H)	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6,6a]C[6,6a]O[6])(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]C[3]H)(C[6a]C[6,6a]C[6a])(O[5,5]C[5,5,6]){2|C<4>,2|O<2>,4|H<1>,5|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]CH)(C[3]C[3]O[3]H)(H){2|H<1>,5|C<3>}	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>,5|C<4>}	118.5850	0.000	1	118.5850	0.000	1	118.5850	0.000	1	118.5850	0.000	1	116.3877	4.705	63	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[6a]	3:4:3:3:	4:4:1:1:	4:3:3:	N[5,5]-3:C[5,6]-4:C[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(C[5,6]N[5,6]O)(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,6]N[5,5]C[6a])(C[5,6]C[5,5,6]HH)(H)2	C[6a](C[5,5,6]C[5,6]2N[5,5])(C[6a]C[6a]H)2	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(C[5,6]N[5,6]O)(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]C[6a])(C[5,6]C[5,5,6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[6a](C[5,5,6]C[5,6]2N[5,5])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	114.6890	0.000	1	114.6890	0.000	1	114.6890	0.000	1	114.6890	0.000	1	116.3877	4.705	63	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[6a]	3:4:3:3:	4:4:3:1:	4:3:3:	C[5,6,6a]-3:C[5,6]-4:C[5,5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]O)(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]C[6a])(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(H)	C[6a](C[5,5,6]C[5,6,6a]C[5,5]C[5,6])(C[6a]C[6a]H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]O)(C[6a]C[6a]2){3|H<1>,9|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]C[6a])(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,7|C<3>}	C[6a](C[5,5,6]C[5,6,6a]C[5,5]C[5,6])(C[6a]C[6a]H)2{1|O<1>,2|C<4>,3|H<1>,4|C<3>}	119.1490	0.000	1	119.1490	0.000	1	119.1490	0.000	1	119.1490	0.000	1	116.3877	4.705	63	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[6a]	3:4:3:4:	4:4:3:1:	4:3:3:	N[3x5,6]-3:C[5,6]-4:C[6a]-3:C[5]-4:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](N[3x5,6]C[5,5,6]O[5,5])(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,6](C[5,5,6]N[3x5,6]C[6a]C[5])(C[5,5,6]C[5,6]O[5,5]H)(COO)(H)	C[6a](C[5,5,6]N[3x5,6]C[5,6]C[5])(C[6a]C[6a]H)2	C[5,5,6](N[3x5,6]C[5,5,6]O[5,5])(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,2|C<3>,6|H<1>}	C[5,6](C[5,5,6]N[3x5,6]C[6a]C[5])(C[5,5,6]C[5,6]O[5,5]H)(COO)(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,5,6]N[3x5,6]C[5,6]C[5])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,3|C<4>,5|H<1>}	113.0470	0.000	1	113.0470	0.000	1	113.0470	0.000	1	113.0470	0.000	1	116.3877	4.705	63	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[6a]	3:4:4:3:	4:4:3:1:	4:3:3:	C[5,5a,6]-3:C[3x5]-4:C[5,6]-4:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[3x5]C[3x5,6]C[5]H)(C[5,6]C[5,6]C[6a]H)(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,5a,6]C[3x5]C[6a])(C[5,6]C[3x5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[5,5,6]C[5,5a,6]C[3x5]C[5,6])(C[6a]C[6a]H)2	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[3x5]C[3x5,6]C[5]H)(C[5,6]C[5,6]C[6a]H)(C[6a]C[6a]2){1|N<3>,2|C<4>,5|C<3>,7|H<1>}	C[5,6](C[5,5,6]C[5,5a,6]C[3x5]C[6a])(C[5,6]C[3x5,6]HH)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,6|C<3>}	C[6a](C[5,5,6]C[5,5a,6]C[3x5]C[5,6])(C[6a]C[6a]H)2{3|C<4>,4|C<3>,4|H<1>}	115.5250	1.672	2	115.5250	2.794	2	115.5250	2.794	2	115.3963	1.447	3	116.3877	4.705	63	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[6a]	3:4:4:3:	4:4:3:1:	4:3:3:	C[5,5a,6]-3:C[5,6]-4:C[5,5]-4:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,5a,6]C[5,5]C[6a])(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[5,5,6]C[5,5a,6]C[5,5]C[5,6])(C[6a]C[6a]H)2	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[6a]C[6a]2){1|N<3>,5|C<3>,6|H<1>}	C[5,6](C[5,5,6]C[5,5a,6]C[5,5]C[6a])(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H){5|H<1>,6|C<3>}	C[6a](C[5,5,6]C[5,5a,6]C[5,5]C[5,6])(C[6a]C[6a]H)2{2|C<4>,4|C<3>,5|H<1>}	115.1390	0.000	1	115.1390	0.000	1	115.1390	0.000	1	115.3963	1.447	3	116.3877	4.705	63	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[6a]	4:2:2:3:	4:2:3:1:	4:3:3:	C[5,6]-4:O[5,5]-2:O[5,6]-2:C[6a]-3:	C[5,5,6]-4:O[5,6]-2:C[6a]-3:H-1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](C[5,6]O[5,6]C[6a]H)(O[5,5]P[3x5,6])(O[5,6]C[5,6])(C[6a]C[6a]2)	C[5,6](C[5,5,6]O[5,5]O[5,6]C[6a])(O[5,6]P[3x5,6])(C[6a]C[6a]2)(H)	C[6a](C[5,5,6]C[5,6]O[5,5]O[5,6])(C[6a]C[6a]H)2	C[5,5,6](C[5,6]O[5,6]C[6a]H)(O[5,5]P[3x5,6])(O[5,6]C[5,6])(C[6a]C[6a]2){2|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[5,6](C[5,5,6]O[5,5]O[5,6]C[6a])(O[5,6]P[3x5,6])(C[6a]C[6a]2)(H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6a](C[5,5,6]C[5,6]O[5,5]O[5,6])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,1|P<5>,2|C<3>,3|H<1>}	117.6470	1.783	2	117.6470	3.180	2	117.6470	3.180	2	117.6470	3.180	2	116.3877	4.705	63	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[6a]	4:2:3:3:	4:4:3:1:	4:3:3:	C[5,6]-4:S[5,5]-2:C[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](C[5,6]C[5,6]CH)(S[5,5]C[5,5,6])(C[5,6]N[5,6]O)(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,6]C[5,5,6]HH)(CCO)(H)	C[6a](C[5,5,6]C[5,6]2S[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[5,6]C[5,6]CH)(S[5,5]C[5,5,6])(C[5,6]N[5,6]O)(C[6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,6]C[5,5,6]HH)(CCO)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[5,5,6]C[5,6]2S[5,5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	117.9230	0.000	1	117.9230	0.000	1	117.9230	0.000	1	117.9230	0.000	1	116.3877	4.705	63	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[6a]	4:2:4:3:	4:4:1:1:	4:3:3:	C[5,6]-4:O[5,5]-2:C[5,6]-4:C[6a]-3:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]HS)(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6]C[5,5,6,6]C[6]H)(H)2	C[6a](C[5,5,6]C[5,6]2O[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]HS)(C[6a]C[6a]2){2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6]C[5,5,6,6]C[6]H)(H)2{1|S<4>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,5,6]C[5,6]2O[5,5])(C[6a]C[6a]H)2{1|C<3>,1|S<4>,3|C<4>,5|H<1>}	115.2800	0.000	1	115.2800	0.000	1	115.2800	0.000	1	115.2800	0.000	1	116.3877	4.705	63	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[6a]	4:2:4:3:	4:4:4:1:	4:3:3:	C[5,6]-4:O[5,5]-2:C[5,6]-4:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:S-4:H-1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]HS)(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6]C[5,5,6,6]HH)(SC[6a]OO)(H)	C[6a](C[5,5,6]C[5,6]2O[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]HS)(C[6a]C[6a]2){2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6]C[5,5,6,6]HH)(SC[6a]OO)(H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,5,6]C[5,6]2O[5,5])(C[6a]C[6a]H)2{1|C<3>,1|S<4>,3|C<4>,5|H<1>}	116.6110	0.000	1	116.6110	0.000	1	116.6110	0.000	1	116.6110	0.000	1	116.3877	4.705	63	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[6a]	4:3:2:3:	4:4:3:1:	4:3:3:	C[5,6]-4:C[5,6]-3:S[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,6]N[5,5,6]O)(S[5,5]C[3x5,6])(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,6]C[3x5,6]HN)(C[6a]C[6a]2)(H)	C[6a](C[5,5,6]C[5,6]2S[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,6]N[5,5,6]O)(S[5,5]C[3x5,6])(C[6a]C[6a]2){1|C<4>,1|N<3>,1|S<2>,3|H<1>,4|C<3>}	C[5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,6]C[3x5,6]HN)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|S<2>,2|H<1>,4|C<3>}	C[6a](C[5,5,6]C[5,6]2S[5,5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	117.6860	0.000	1	117.6860	0.000	1	117.6860	0.000	1	117.6860	0.000	1	116.3877	4.705	63	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[6a]	4:3:3:3:	4:4:3:1:	4:3:3:	C[5,6]-4:C[5,6]-3:C[5,5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[5,5,6]C[5,5]C[5,6]2)(C[6a]C[6a]H)2	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(C[6a]C[6a]2){4|H<1>,8|C<3>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,7|C<3>}	C[6a](C[5,5,6]C[5,5]C[5,6]2)(C[6a]C[6a]H)2{1|O<1>,2|C<4>,3|H<1>,4|C<3>}	118.4730	1.673	3	118.4730	2.799	3	118.4730	2.799	3	118.4730	2.799	3	116.3877	4.705	63	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[6a]	4:3:4:3:	4:3:3:1:	4:3:3:	C[5,5]-4:N[5,6]-3:C[5,6]-4:C[6a]-3:	C[5,5,6]-4:C[5]-3:N[6]-3:H-1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](C[5,5]C[5,6a]N[5]O)(N[5,6]C[5,6a]C[6])(C[5,6]C[5]N[6]H)(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,5]N[5,6]C[6a])(C[5]N[5]O)(N[6]C[6]C)(H)	C[6a](C[5,5,6]C[5,5]C[5,6]N[5,6])(C[6a]C[6a]H)2	C[5,5,6](C[5,5]C[5,6a]N[5]O)(N[5,6]C[5,6a]C[6])(C[5,6]C[5]N[6]H)(C[6a]C[6a]2){1|C<4>,2|O<1>,3|H<1>,5|C<3>}	C[5,6](C[5,5,6]C[5,5]N[5,6]C[6a])(C[5]N[5]O)(N[6]C[6]C)(H){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C[6a](C[5,5,6]C[5,5]C[5,6]N[5,6])(C[6a]C[6a]H)2{1|O<2>,2|N<3>,3|H<1>,5|C<3>}	114.5265	0.598	2	114.5265	0.357	2	114.5265	0.357	2	114.5265	0.357	2	116.3877	4.705	63	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[6a]	4:3:4:3:	4:4:1:1:	4:3:3:	C[5,5,6]-4:N[5,5]-3:C[5,6]-4:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(N[5,5]P[5,5,6]C[6a])(C[5,6]C[5,6]HH)(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,5,6]N[5,5]C[6a])(C[5,6]P[5,5,6]HH)(H)2	C[6a](C[5,5,6]C[5,5,6]C[5,6]N[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(N[5,5]P[5,5,6]C[6a])(C[5,6]C[5,6]HH)(C[6a]C[6a]2){1|N<3>,1|O<1>,1|W<6>,5|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,5,6]N[5,5]C[6a])(C[5,6]P[5,5,6]HH)(H)2{1|C<4>,1|H<1>,1|W<6>,4|C<3>}	C[6a](C[5,5,6]C[5,5,6]C[5,6]N[5,5])(C[6a]C[6a]H)2{1|P<4>,2|C<4>,3|C<3>,5|H<1>}	112.5745	1.875	2	112.5745	3.514	2	112.5745	3.514	2	112.5745	3.514	2	116.3877	4.705	63	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[6a]	4:4:2:3:	4:2:3:1:	4:3:3:	C[5,6]-4:C[5,6]-4:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:O[5,6]-2:C[6a]-3:H-1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](C[5,6]O[5,6]C[6a]H)(C[5,6]O[5,6]CC)(O[5,5]P[3x5,6])(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,6]O[5,5]C[6a])(O[5,6]P[3x5,6])(C[6a]C[6a]2)(H)	C[6a](C[5,5,6]C[5,6]2O[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[5,6]O[5,6]C[6a]H)(C[5,6]O[5,6]CC)(O[5,5]P[3x5,6])(C[6a]C[6a]2){2|H<1>,2|O<2>,4|C<3>}	C[5,6](C[5,5,6]C[5,6]O[5,5]C[6a])(O[5,6]P[3x5,6])(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,3|O<2>,4|C<3>}	C[6a](C[5,5,6]C[5,6]2O[5,5])(C[6a]C[6a]H)2{1|P<5>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	114.4420	0.000	1	114.4420	0.000	1	114.4420	0.000	1	114.4420	0.000	1	116.3877	4.705	63	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[6a]	4:4:2:3:	4:2:4:4:	4:3:3:	C[5,6]-4:C[5,6]-4:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:O[5,6]-2:C-4:C-4:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](C[5,6]O[5,6]C[6a]H)(C[5,6]O[5,6]CC)(O[5,5]P[3x5,6])(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,6]O[5,5]C[6a])(O[5,6]P[3x5,6])(CF3)2	C[6a](C[5,5,6]C[5,6]2O[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[5,6]O[5,6]C[6a]H)(C[5,6]O[5,6]CC)(O[5,5]P[3x5,6])(C[6a]C[6a]2){2|H<1>,2|O<2>,4|C<3>}	C[5,6](C[5,5,6]C[5,6]O[5,5]C[6a])(O[5,6]P[3x5,6])(CF3)2{1|H<1>,3|C<3>,3|O<2>}	C[6a](C[5,5,6]C[5,6]2O[5,5])(C[6a]C[6a]H)2{1|P<5>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	117.6150	0.000	1	117.6150	0.000	1	117.6150	0.000	1	117.6150	0.000	1	116.3877	4.705	63	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[6a]	4:4:2:3:	4:4:1:1:	4:3:3:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C[6a])(C[5,6]C[5,5,6]HH)(H)2	C[6a](C[5,5,6]C[5,5,6]C[5,6]O[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C[6a])(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5,5,6]C[5,5,6]C[5,6]O[5,5])(C[6a]C[6a]H)2{2|C<3>,3|C<4>,5|H<1>}	115.8225	0.087	2	115.8225	0.008	2	115.8225	0.008	2	115.4383	0.108	6	116.3877	4.705	63	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[6a]	4:4:2:3:	4:4:1:1:	4:3:3:	C[5,6,6]-4:C[5,6]-4:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]C[5,6]C[6]O[6])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,6,6]O[5,5]C[6a])(C[5,6]C[5,5,6]HH)(H)2	C[6a](C[5,5,6]C[5,6,6]C[5,6]O[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[5,6,6]C[5,6]C[6]O[6])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[6a]C[6a]2){2|C<3>,3|C<4>,8|H<1>}	C[5,6](C[5,5,6]C[5,6,6]O[5,5]C[6a])(C[5,6]C[5,5,6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>}	C[6a](C[5,5,6]C[5,6,6]C[5,6]O[5,5])(C[6a]C[6a]H)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	115.2463	0.175	4	115.2463	0.031	4	115.2463	0.031	4	115.4383	0.108	6	116.3877	4.705	63	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[6a]	4:4:2:3:	4:4:4:4:	4:3:3:	C[5,5,6]-4:C[5,6]-4:O[5,6]-2:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:C-4:C-4:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,5,6]C[6]O[6])(C[5,6]C[5,6]CC)(O[5,6]C[5,6])(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,5,6]O[5,6]C[6a])(C[5,6]C[5,5,6]HH)(CH3)2	C[6a](C[5,5,6]C[5,5,6]C[5,6]O[5,6])(C[6a]C[6a]H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[6]O[6])(C[5,6]C[5,6]CC)(O[5,6]C[5,6])(C[6a]C[6a]2){2|C<3>,4|C<4>,7|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5,6]C[6a])(C[5,6]C[5,5,6]HH)(CH3)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[5,5,6]C[5,5,6]C[5,6]O[5,6])(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|H<1>,6|C<4>}	115.5810	0.000	1	115.5810	0.000	1	115.5810	0.000	1	115.5810	0.000	1	116.3877	4.705	63	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[6a]	4:4:3:3:	4:4:1:1:	4:3:3:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]O[5,6]O)(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]HI)(H)2	C[6a](C[5,5,6]C[5,5]C[5,6]2)(C[6a]C[6a]H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]O[5,6]O)(C[6a]C[6a]2){1|I<1>,2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]HI)(H)2{1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,5,6]C[5,5]C[5,6]2)(C[6a]C[6a]H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,6|H<1>}	115.4480	0.361	2	115.4480	0.130	2	115.4480	0.130	2	115.4480	0.130	2	116.3877	4.705	63	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[6a]	4:4:3:3:	4:4:3:1:	4:3:3:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]C)(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]CH)(COO)(H)	C[6a](C[5,5,6]C[5,5]C[5,6]2)(C[6a]C[6a]H)2	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]C)(C[6a]C[6a]2){4|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]CH)(COO)(H){1|C<2>,3|C<3>,3|H<1>}	C[6a](C[5,5,6]C[5,5]C[5,6]2)(C[6a]C[6a]H)2{1|C<2>,2|C<4>,3|C<3>,5|H<1>}	113.5640	0.000	1	113.5640	0.000	1	113.5640	0.000	1	113.5640	0.000	1	116.3877	4.705	63	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[6a]	4:4:4:3:	4:4:1:1:	4:3:3:	B[3x5]-4:C[5,6]-4:C[5,6]-4:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](B[3x5]N[3x5,6]O[5]2)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,5,6]HS)(C[6a]C[6a]2)	C[5,6](C[5,5,6]B[3x5]C[5,6]C[6a])(C[5,5,6]N[3x5,6]C[5]H)(H)2	C[6a](C[5,5,6]B[3x5]C[5,6]2)(C[6a]C[6a]H)2	C[5,5,6](B[3x5]N[3x5,6]O[5]2)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,5,6]HS)(C[6a]C[6a]2){2|C<3>,4|H<1>,5|C<4>}	C[5,6](C[5,5,6]B[3x5]C[5,6]C[6a])(C[5,5,6]N[3x5,6]C[5]H)(H)2{1|S<2>,2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6a](C[5,5,6]B[3x5]C[5,6]2)(C[6a]C[6a]H)2{1|C<3>,1|N<4>,1|S<2>,2|C<4>,2|O<2>,5|H<1>}	108.5910	0.000	1	108.5910	0.000	1	108.5910	0.000	1	114.7208	9.215	6	116.3877	4.705	63	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[6a]	4:4:4:3:	4:4:1:1:	4:3:3:	C[3,5,6]-4:C[5,5]-4:C[5,6]-4:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](C[3,5,6]C[3,5,6]O[3]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[3,5,6]C[5,5]C[6a])(C[5,6]C[5,5,6]HH)(H)2	C[6a](C[5,5,6]C[3,5,6]C[5,5]C[5,6])(C[6a]C[6a]H)2	C[5,5,6](C[3,5,6]C[3,5,6]O[3]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[6a]C[6a]2){1|C<4>,2|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[3,5,6]C[5,5]C[6a])(C[5,6]C[5,5,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,5,6]C[3,5,6]C[5,5]C[5,6])(C[6a]C[6a]H)2{1|C<3>,1|O<2>,4|C<4>,6|H<1>}	115.7922	0.411	4	115.7922	0.169	4	115.7922	0.169	4	114.7208	9.215	6	116.3877	4.705	63	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[6a]	4:4:4:3:	4:4:1:1:	4:3:3:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:C[6a]-3:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5]H)(C[5,5,6]O[5,6]2C)(C[5,6]C[5,6,6]HH)(C[6a]C[6a]2)	C[5,6](C[5,6,6]C[5,6,6]O[5,6]C[6a])(C[5,5,6]C[5,5,6]2C[6a])(H)2	C[6a](C[5,5,6]C[5,5,6]2C[5,6])(C[6a]C[6a]H)2	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5]H)(C[5,5,6]O[5,6]2C)(C[5,6]C[5,6,6]HH)(C[6a]C[6a]2){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5,6](C[5,6,6]C[5,6,6]O[5,6]C[6a])(C[5,5,6]C[5,5,6]2C[6a])(H)2{1|H<1>,1|O<2>,2|C<4>,7|C<3>}	C[6a](C[5,5,6]C[5,5,6]2C[5,6])(C[6a]C[6a]H)2{2|C<3>,2|O<2>,3|C<4>,5|H<1>}	116.5650	0.000	1	116.5650	0.000	1	116.5650	0.000	1	114.7208	9.215	6	116.3877	4.705	63	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[6a]	4:4:4:3:	4:4:2:1:	4:3:3:	B[3x5]-4:C[5,6]-4:C[5,6]-4:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:S-2:H-1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](B[3x5]N[3x5,6]O[5]2)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,5,6]HS)(C[6a]C[6a]2)	C[5,6](C[5,5,6]B[3x5]C[5,6]C[6a])(C[5,5,6]N[3x5,6]C[5]H)(SC)(H)	C[6a](C[5,5,6]B[3x5]C[5,6]2)(C[6a]C[6a]H)2	C[5,5,6](B[3x5]N[3x5,6]O[5]2)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,5,6]HS)(C[6a]C[6a]2){2|C<3>,4|H<1>,5|C<4>}	C[5,6](C[5,5,6]B[3x5]C[5,6]C[6a])(C[5,5,6]N[3x5,6]C[5]H)(SC)(H){2|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[6a](C[5,5,6]B[3x5]C[5,6]2)(C[6a]C[6a]H)2{1|C<3>,1|N<4>,1|S<2>,2|C<4>,2|O<2>,5|H<1>}	115.3190	0.000	1	115.3190	0.000	1	115.3190	0.000	1	115.3190	0.000	1	116.3877	4.705	63	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[6,6a]	3:2:4:4:	4:4:1:1:	4:3:3:	C[6,6a]-3:O[5,6]-2:C[5,5]-4:C[5]-4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,5,6])(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5](C[5,5,6]C[6,6a]C[5,5]O[5,6])(C[5]C[5]HH)(H)2	C[6,6a](C[5,5,6]C[5,5]O[5,6]C[5])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,5,6])(C[5,5]C[5]2H)(C[5]C[5]HH){2|C<3>,2|C<4>,7|H<1>}	C[5](C[5,5,6]C[6,6a]C[5,5]O[5,6])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[5,5,6]C[5,5]O[5,6]C[5])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<3>,5|C<4>,6|H<1>}	119.7350	0.000	1	119.7350	0.000	1	119.9265	0.073	2	119.9265	0.073	2	111.8062	7.152	41	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[6,6a]	3:2:4:4:	4:4:1:1:	4:3:3:	C[6,6a]-3:O[5,6]-2:C[5,5]-4:C[5]-4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6,6])(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5](C[5,5,6]C[6,6a]C[5,5]O[5,6])(C[5]C[5]HH)(H)2	C[6,6a](C[5,5,6]C[5,5]O[5,6]C[5])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6,6])(C[5,5]C[5]2H)(C[5]C[5]HH){2|C<3>,2|C<4>,7|H<1>}	C[5](C[5,5,6]C[6,6a]C[5,5]O[5,6])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[5,5,6]C[5,5]O[5,6]C[5])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H){1|C<3>,5|C<4>,6|H<1>}	120.1180	0.000	1	120.1180	0.000	1	119.9265	0.073	2	119.9265	0.073	2	111.8062	7.152	41	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[6,6a]	3:3:4:4:	4:3:1:1:	4:3:3:	C[6,6a]-3:C[5,6]-3:C[5,5]-4:C[5]-4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5](C[5,5,6]C[6,6a]C[5,5]C[5,6])(C[5]C[5]C)(H)2	C[6,6a](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O)(C[5,5]C[5]2H)(C[5]C[5]HH){1|Cl<1>,2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,5,6]C[6,6a]C[5,5]C[5,6])(C[5]C[5]C)(H)2{1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|O<1>,2|O<2>,3|C<4>,3|H<1>}	117.7720	0.000	1	117.7720	0.000	1	117.7720	0.000	1	117.7720	0.000	1	111.8062	7.152	41	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[6,6a]	3:4:3:4:	4:4:1:1:	4:3:3:	C[6,6a]-3:C[5,5]-4:C[5,6]-3:C[5]-4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)	C[5](C[5,5,6]C[6,6a]C[5,5]C[5,6])(C[5]N[5]HH)(H)2	C[6,6a](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6])(C[5]C[5]HH){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[5](C[5,5,6]C[6,6a]C[5,5]C[5,6])(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<4>,1|N<3>,1|O<2>,4|C<3>,5|H<1>}	109.1560	0.000	1	109.1560	0.000	1	109.1560	0.000	1	109.1560	0.000	1	111.8062	7.152	41	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[6,6a]	3:4:4:3:	4:2:1:1:	4:3:3:	C[6,6a]-3:C[5,5,6]-4:C[5]-4:C[5]-3:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[5]O[5]HH)(C[5]C[5]O)	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(O[5]C[5])(H)2	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[5]O[5]HH)(C[5]C[5]O){1|Br<1>,1|O<1>,3|C<3>,6|H<1>}	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(O[5]C[5])(H)2{2|C<3>,2|O<1>,3|C<4>}	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|O<1>,2|O<2>,3|C<4>,3|H<1>}	112.1940	0.000	1	112.6560	0.427	2	112.6560	0.427	2	112.6560	0.427	2	111.8062	7.152	41	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[6,6a]	3:4:4:3:	4:2:1:1:	4:3:3:	C[6,6a]-3:C[5,5,6]-4:C[5]-4:C[5]-3:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[5]O[5]HH)(C[5]C[5]O)	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(O[5]C[5])(H)2	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[5]O[5]HH)(C[5]C[5]O){1|O<1>,3|C<3>,7|H<1>}	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(O[5]C[5])(H)2{2|C<3>,2|O<1>,3|C<4>}	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|O<1>,2|O<2>,3|C<4>,3|H<1>}	113.1180	0.000	1	112.6560	0.427	2	112.6560	0.427	2	112.6560	0.427	2	111.8062	7.152	41	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[6,6a]	3:4:4:4:	4:2:1:1:	4:3:3:	C[6,6a]-3:C[5,5,6]-4:C[5]-4:C[5]-4:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[5]C[5]HO)(C[5]O[5]HH)	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(O[5]C[5])(H)2	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[5]C[5]HO)(C[5]O[5]HH){1|C<4>,1|O<1>,2|C<3>,7|H<1>}	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|O<2>,3|C<4>,7|H<1>}	111.1810	0.000	1	111.1810	0.000	1	112.3593	1.048	3	112.3593	1.048	3	111.8062	7.152	41	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[6,6a]	3:4:4:4:	4:2:1:1:	4:3:3:	C[6,6a]-3:C[5,5,6]-4:C[5]-4:C[5]-4:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[5]C[5]HO)(C[5]O[5]HH)	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(O[5]C[5])(H)2	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[5]C[5]HO)(C[5]O[5]HH){1|C<4>,1|O<1>,1|O<2>,2|C<3>,6|H<1>}	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){2|C<3>,3|C<4>,3|O<2>,6|H<1>}	112.9485	0.114	2	112.9485	0.013	2	112.3593	1.048	3	112.3593	1.048	3	111.8062	7.152	41	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[6,6a]	3:4:4:4:	4:4:1:1:	4:3:3:	C[6,6a]-3:C[5,5]-4:C[5,6]-4:C[5]-4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)	C[5](C[5,5,6]C[6,6a]C[5,5]C[5,6])(C[5]N[5]HH)(H)2	C[6,6a](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<2>,3|C<3>,7|H<1>}	C[5](C[5,5,6]C[6,6a]C[5,5]C[5,6])(C[5]N[5]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[6,6a](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,4|C<4>,6|H<1>}	111.7280	0.000	1	111.7280	0.000	1	111.7280	0.000	1	111.7280	0.000	1	111.8062	7.152	41	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[6,6a]	3:4:4:4:	4:4:2:1:	4:3:3:	C[6,6a]-3:C[5,5,6]-4:C[5]-4:C[5]-4:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[5]C[5]HO)(C[5]O[5]HH)	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5]HH)(OC)(H)	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[5]C[5]HO)(C[5]O[5]HH){1|C<4>,1|O<1>,1|O<2>,2|C<3>,6|H<1>}	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5]HH)(OC)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){2|C<3>,3|C<4>,3|O<2>,6|H<1>}	108.2840	0.000	1	108.2840	0.000	1	109.2267	0.851	3	109.2267	0.851	3	111.8062	7.152	41	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[6,6a]	3:4:4:4:	4:4:2:1:	4:3:3:	C[6,6a]-3:C[5,5,6]-4:C[5]-4:C[5]-4:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[5]C[5]HO)(C[5]O[5]HH)	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5]HH)(OH)(H)	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[5]C[5]HO)(C[5]O[5]HH){1|C<4>,1|O<1>,2|C<3>,7|H<1>}	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5]HH)(OH)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|O<2>,3|C<4>,7|H<1>}	110.1270	0.000	1	110.1270	0.000	1	109.2267	0.851	3	109.2267	0.851	3	111.8062	7.152	41	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[6,6a]	3:4:4:4:	4:4:2:1:	4:3:3:	C[6,6a]-3:C[5,5,6]-4:C[5]-4:C[5]-4:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[5]C[5]HO)(C[5]O[5]HH)	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5]HH)(OH)(H)	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[5]C[5]HO)(C[5]O[5]HH){1|C<4>,1|O<1>,1|O<2>,2|C<3>,6|H<1>}	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5]HH)(OH)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){2|C<3>,3|C<4>,3|O<2>,6|H<1>}	109.2690	0.000	1	109.2690	0.000	1	109.2267	0.851	3	109.2267	0.851	3	111.8062	7.152	41	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[6,6a]	4:3:4:4:	4:3:1:1:	4:3:3:	C[5,5,6,6]-4:C[6,6a]-3:C[5]-4:C[5]-4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6,6]C[5,6]C[6,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2	C[5](C[5,5,6]C[5,5,6,6]C[6,6a]C[5])(C[5]N[5]O)(H)2	C[6,6a](C[5,5,6]C[5,5,6,6]C[5]2)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)	C[5,5,6](C[5,5,6,6]C[5,6]C[6,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2{1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,5,6]C[5,5,6,6]C[6,6a]C[5])(C[5]N[5]O)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[6,6a](C[5,5,6]C[5,5,6,6]C[5]2)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O){1|N<3>,2|C<3>,2|O<2>,3|C<4>,6|H<1>}	112.4150	0.000	1	112.7335	0.059	4	112.7335	0.059	4	111.0406	4.707	11	111.8062	7.152	41	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[6,6a]	4:3:4:4:	4:3:1:1:	4:3:3:	C[5,5,6,6]-4:C[6,6a]-3:C[5]-4:C[5]-4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6,6]C[5,6]C[6,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2	C[5](C[5,5,6]C[5,5,6,6]C[6,6a]C[5])(C[5]N[5]O)(H)2	C[6,6a](C[5,5,6]C[5,5,6,6]C[5]2)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)	C[5,5,6](C[5,5,6,6]C[5,6]C[6,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2{1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,5,6]C[5,5,6,6]C[6,6a]C[5])(C[5]N[5]O)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[6,6a](C[5,5,6]C[5,5,6,6]C[5]2)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O){1|N<3>,2|C<3>,2|O<2>,3|C<4>,6|H<1>}	112.9570	0.000	1	112.7335	0.059	4	112.7335	0.059	4	111.0406	4.707	11	111.8062	7.152	41	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[6,6a]	4:3:4:4:	4:3:1:1:	4:3:3:	C[5,5,6,6]-4:C[6,6a]-3:C[5]-4:C[5]-4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6,6]C[5,6]C[6,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2	C[5](C[5,5,6]C[5,5,6,6]C[6,6a]C[5])(C[5]N[5]O)(H)2	C[6,6a](C[5,5,6]C[5,5,6,6]C[5]2)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)	C[5,5,6](C[5,5,6,6]C[5,6]C[6,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2{1|O<1>,1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[5](C[5,5,6]C[5,5,6,6]C[6,6a]C[5])(C[5]N[5]O)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[6,6a](C[5,5,6]C[5,5,6,6]C[5]2)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O){1|N<3>,2|C<3>,2|O<2>,3|C<4>,6|H<1>}	112.8830	0.000	1	112.7335	0.059	4	112.7335	0.059	4	111.0406	4.707	11	111.8062	7.152	41	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[6,6a]	4:3:4:4:	4:3:1:1:	4:3:3:	C[5,5,6,6]-4:C[6,6a]-3:C[5]-4:C[5]-4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6,6]C[5,6]C[6,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2	C[5](C[5,5,6]C[5,5,6,6]C[6,6a]C[5])(C[5]N[5]O)(H)2	C[6,6a](C[5,5,6]C[5,5,6,6]C[5]2)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)	C[5,5,6](C[5,5,6,6]C[5,6]C[6,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2{1|O<1>,1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[5](C[5,5,6]C[5,5,6,6]C[6,6a]C[5])(C[5]N[5]O)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[6,6a](C[5,5,6]C[5,5,6,6]C[5]2)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O){1|N<3>,2|C<3>,2|O<2>,3|C<4>,6|H<1>}	112.6790	0.000	1	112.7335	0.059	4	112.7335	0.059	4	111.0406	4.707	11	111.8062	7.152	41	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[6,6a]	4:3:4:4:	4:3:1:1:	4:3:3:	C[5,5,6]-4:C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,6]N[5,6]O)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5,6])(C[5]N[5,6]O)(H)2	C[6,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[5,6]N[5,6]O)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]HH){1|N<3>,2|C<3>,2|O<1>,3|C<4>,3|H<1>}	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5,6])(C[5]N[5,6]O)(H)2{1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[6,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,6|H<1>}	107.5395	0.237	2	107.5395	0.056	2	107.5395	0.056	2	111.0406	4.707	11	111.8062	7.152	41	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[6,6a]	4:3:4:4:	4:3:1:1:	4:3:3:	C[5,5,6]-4:C[6,6a]-3:C[5]-4:C[5]-4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,5]C[6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]N[5]O)(H)2	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[5,5,6](C[5,5,6]C[5,5]C[6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2{1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]N[5]O)(H)2{2|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|N<3>,1|O<2>,2|C<4>,3|C<3>,6|H<1>}	109.2710	0.000	1	109.2710	0.000	1	111.0868	2.712	5	111.0406	4.707	11	111.8062	7.152	41	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[6,6a]	4:3:4:4:	4:3:1:1:	4:3:3:	C[5,5,6]-4:C[6,6a]-3:C[5]-4:C[5]-4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5]C[6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]N[5]O)(H)2	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[5,5,6](C[5,5,6]C[5]C[6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>,6|H<1>}	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]N[5]O)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|N<3>,1|O<2>,2|C<3>,3|C<4>,7|H<1>}	111.2765	2.204	2	111.1557	2.473	3	111.0868	2.712	5	111.0406	4.707	11	111.8062	7.152	41	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[6,6a]	4:3:4:4:	4:3:1:1:	4:3:3:	C[5,5,6]-4:C[6,6a]-3:C[5]-4:C[5]-4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5]C[6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]N[5]O)(H)2	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[5,5,6](C[5,5,6]C[5]C[6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2{1|O<1>,1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]N[5]O)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|N<3>,1|O<2>,2|C<3>,3|C<4>,7|H<1>}	110.9140	0.000	1	111.1557	2.473	3	111.0868	2.712	5	111.0406	4.707	11	111.8062	7.152	41	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[6,6a]	4:3:4:4:	4:3:1:1:	4:3:3:	C[5,5,6]-4:C[6,6a]-3:C[5]-4:C[5]-4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]O[5]O)(H)2	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[5,5,6](C[5,5,6]C[5]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>,5|H<1>}	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]O[5]O)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){2|C<3>,2|O<2>,3|C<4>,7|H<1>}	112.6960	0.000	1	112.6960	0.000	1	111.0868	2.712	5	111.0406	4.707	11	111.8062	7.152	41	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[6,6a]	4:3:4:4:	4:4:1:1:	4:3:3:	C[3x5,6]-4:C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6](C[3x5,6]C[5,5,6]N[5,6]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)	C[5](C[5,5,6]C[3x5,6]C[6,6a]C[5,6])(C[5]N[5,6]HH)(H)2	C[6,6a](C[5,5,6]C[3x5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,5,6](C[3x5,6]C[5,5,6]N[5,6]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]HH){1|N<3>,1|O<1>,2|C<4>,4|C<3>,5|H<1>}	C[5](C[5,5,6]C[3x5,6]C[6,6a]C[5,6])(C[5]N[5,6]HH)(H)2{1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[6,6a](C[5,5,6]C[3x5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	112.4535	0.674	2	112.4535	0.454	2	112.4535	0.454	2	111.4135	1.801	17	111.8062	7.152	41	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[6,6a]	4:3:4:4:	4:4:1:1:	4:3:3:	C[5,5,6,6]-4:C[6,6a]-3:C[5]-4:C[5]-4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6,6]C[5,6]C[6,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2	C[5](C[5,5,6]C[5,5,6,6]C[6,6a]C[5])(C[5]C[5,6]HH)(H)2	C[6,6a](C[5,5,6]C[5,5,6,6]C[5]2)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)	C[5,5,6](C[5,5,6,6]C[5,6]C[6,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2{1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,5,6]C[5,5,6,6]C[6,6a]C[5])(C[5]C[5,6]HH)(H)2{2|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[6,6a](C[5,5,6]C[5,5,6,6]C[5]2)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O){1|N<3>,2|C<3>,2|O<2>,3|C<4>,6|H<1>}	112.8000	0.000	1	111.0187	4.222	4	111.0187	4.222	4	111.4135	1.801	17	111.8062	7.152	41	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[6,6a]	4:3:4:4:	4:4:1:1:	4:3:3:	C[5,5,6,6]-4:C[6,6a]-3:C[5]-4:C[5]-4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6,6]C[5,6]C[6,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2	C[5](C[5,5,6]C[5,5,6,6]C[6,6a]C[5])(C[5]C[5,6]HH)(H)2	C[6,6a](C[5,5,6]C[5,5,6,6]C[5]2)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)	C[5,5,6](C[5,5,6,6]C[5,6]C[6,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2{1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,5,6]C[5,5,6,6]C[6,6a]C[5])(C[5]C[5,6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>,4|C<3>}	C[6,6a](C[5,5,6]C[5,5,6,6]C[5]2)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O){1|N<3>,2|C<3>,2|O<2>,3|C<4>,6|H<1>}	108.1320	0.000	1	111.0187	4.222	4	111.0187	4.222	4	111.4135	1.801	17	111.8062	7.152	41	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[6,6a]	4:3:4:4:	4:4:1:1:	4:3:3:	C[5,5,6,6]-4:C[6,6a]-3:C[5]-4:C[5]-4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6,6]C[5,6]C[6,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2	C[5](C[5,5,6]C[5,5,6,6]C[6,6a]C[5])(C[5]C[5,6]HH)(H)2	C[6,6a](C[5,5,6]C[5,5,6,6]C[5]2)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)	C[5,5,6](C[5,5,6,6]C[5,6]C[6,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2{1|O<1>,1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[5](C[5,5,6]C[5,5,6,6]C[6,6a]C[5])(C[5]C[5,6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[5,5,6]C[5,5,6,6]C[5]2)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O){1|N<3>,2|C<3>,2|O<2>,3|C<4>,6|H<1>}	111.0470	0.000	1	111.0187	4.222	4	111.0187	4.222	4	111.4135	1.801	17	111.8062	7.152	41	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[6,6a]	4:3:4:4:	4:4:1:1:	4:3:3:	C[5,5,6,6]-4:C[6,6a]-3:C[5]-4:C[5]-4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6,6]C[5,6]C[6,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2	C[5](C[5,5,6]C[5,5,6,6]C[6,6a]C[5])(C[5]C[5,6]HH)(H)2	C[6,6a](C[5,5,6]C[5,5,6,6]C[5]2)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)	C[5,5,6](C[5,5,6,6]C[5,6]C[6,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2{1|O<1>,1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[5](C[5,5,6]C[5,5,6,6]C[6,6a]C[5])(C[5]C[5,6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5,5,6]C[5,5,6,6]C[5]2)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O){1|N<3>,2|C<3>,2|O<2>,3|C<4>,6|H<1>}	112.0960	0.000	1	111.0187	4.222	4	111.0187	4.222	4	111.4135	1.801	17	111.8062	7.152	41	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[6,6a]	4:3:4:4:	4:4:1:1:	4:3:3:	C[5,5,6]-4:C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5,6])(C[5]N[5,6]HH)(H)2	C[6,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5,6])(C[5]N[5,6]HH)(H)2{1|H<1>,3|C<4>,4|C<3>}	C[6,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|C<4>,6|H<1>}	111.6145	0.745	2	111.6145	0.554	2	111.6145	0.554	2	111.4135	1.801	17	111.8062	7.152	41	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[6,6a]	4:3:4:4:	4:4:1:1:	4:3:3:	C[5,5,6]-4:C[6,6a]-3:C[5]-4:C[5]-4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,5]C[6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5,5]HH)(H)2	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[5,5,6](C[5,5,6]C[5,5]C[6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2{1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5,5]HH)(H)2{1|C<4>,2|H<1>,2|N<3>,4|C<3>}	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|N<3>,1|O<2>,2|C<4>,3|C<3>,6|H<1>}	110.8540	0.000	1	110.8540	0.000	1	111.3131	1.523	9	111.4135	1.801	17	111.8062	7.152	41	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[6,6a]	4:3:4:4:	4:4:1:1:	4:3:3:	C[5,5,6]-4:C[6,6a]-3:C[5]-4:C[5]-4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5]C[6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)2	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[5,5,6](C[5,5,6]C[5]C[6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>,6|H<1>}	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|N<3>,1|O<2>,2|C<3>,3|C<4>,7|H<1>}	110.8800	1.254	2	110.8867	0.787	3	111.3131	1.523	9	111.4135	1.801	17	111.8062	7.152	41	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[6,6a]	4:3:4:4:	4:4:1:1:	4:3:3:	C[5,5,6]-4:C[6,6a]-3:C[5]-4:C[5]-4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5]C[6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)2	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[5,5,6](C[5,5,6]C[5]C[6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2{1|O<1>,1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|N<3>,1|O<2>,2|C<3>,3|C<4>,7|H<1>}	110.9000	0.000	1	110.8867	0.787	3	111.3131	1.523	9	111.4135	1.801	17	111.8062	7.152	41	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[6,6a]	4:3:4:4:	4:4:1:1:	4:3:3:	C[5,5,6]-4:C[6,6a]-3:C[5]-4:C[5]-4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)2	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[5,5,6](C[5,5,6]C[5]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>,5|H<1>}	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){2|C<3>,2|O<2>,3|C<4>,7|H<1>}	110.0860	0.000	1	110.0860	0.000	1	111.3131	1.523	9	111.4135	1.801	17	111.8062	7.152	41	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[6,6a]	4:3:4:4:	4:4:1:1:	4:3:3:	C[5,5,6]-4:C[6,6a]-3:C[5]-4:C[5]-4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[6,6a]C[5]2)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5]CH)(H)2	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[6,6a]C[5]2)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2{6|C<3>,7|H<1>}	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5]CH)(H)2{2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){3|C<3>,4|C<4>,6|H<1>}	112.0545	1.432	4	112.0545	2.050	4	111.3131	1.523	9	111.4135	1.801	17	111.8062	7.152	41	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[6a]	3:4:3:4:	4:4:1:1:	4:3:3:	N[3x5,6]-3:C[5,6]-4:C[6a]-3:C[5]-4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](N[3x5,6]C[5,5,6]O[5,5])(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](C[5,5,6]N[3x5,6]C[5,6]C[6a])(C[5]C[5,5,6]HH)(H)2	C[6a](C[5,5,6]N[3x5,6]C[5,6]C[5])(C[6a]C[6a]H)2	C[5,5,6](N[3x5,6]C[5,5,6]O[5,5])(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,2|C<3>,6|H<1>}	C[5](C[5,5,6]N[3x5,6]C[5,6]C[6a])(C[5]C[5,5,6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,5,6]N[3x5,6]C[5,6]C[5])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,3|C<4>,5|H<1>}	113.5120	0.000	1	113.5120	0.000	1	113.5120	0.000	1	113.5120	0.000	1	113.4820	0.186	3	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[6a]	4:3:3:4:	4:3:1:1:	4:3:3:	C[3x5,6]-4:C[5,6]-3:C[6a]-3:C[5]-4:	C[5,5,6]-4:N[5]-3:H-1:H-1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]C)(C[6a]C[6a]2)(C[5]N[5]HH)	C[5](C[5,5,6]C[3x5,6]C[5,6]C[6a])(N[5]C[5]S)(H)2	C[6a](C[5,5,6]C[3x5,6]C[5,6]C[5])(C[6a]C[6a]H)2	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]C)(C[6a]C[6a]2)(C[5]N[5]HH){1|S<4>,3|C<3>,6|H<1>}	C[5](C[5,5,6]C[3x5,6]C[5,6]C[6a])(N[5]C[5]S)(H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,5,6]C[3x5,6]C[5,6]C[5])(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	113.4670	0.608	2	113.4670	0.370	2	113.4670	0.370	2	113.4670	0.370	2	113.4820	0.186	3	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[3x5,6]	C[6a]	4:4:3:3:	4:4:2:2:	4:3:3:	C[3x5,6]-4:C[3,5,5]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5]-4:O[5,5]-2:O[6]-2:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[3x5,6]C[5,5,6]O[5,5]O[6])(C[3,5,5]C[3,5,5]2H)(C[6a]C[6a]2)2	C[3x5,6](C[5,5,6]C[3,5,5]C[6]H)(C[5,5]C[3,5,5]C[6a]2)(O[5,5]C[3,5,5])(O[6]C[6])	C[6a](C[5,5]C[3,5,5]C[3x5,6]C[6a])(C[6a]C[6a]H)2	C[5,5](C[3x5,6]C[5,5,6]O[5,5]O[6])(C[3,5,5]C[3,5,5]2H)(C[6a]C[6a]2)2{2|C<4>,5|C<3>,6|H<1>}	C[3x5,6](C[5,5,6]C[3,5,5]C[6]H)(C[5,5]C[3,5,5]C[6a]2)(O[5,5]C[3,5,5])(O[6]C[6]){1|C<4>,5|C<3>,6|H<1>}	C[6a](C[5,5]C[3,5,5]C[3x5,6]C[6a])(C[6a]C[6a]H)2{2|O<2>,3|C<3>,3|C<4>,3|H<1>}	112.8907	1.384	4	112.8907	1.915	4	112.8907	1.915	4	112.8907	1.915	4	112.8907	1.915	4	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[3x5]	C[6a]	3:3:4:3:	4:4:4:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:C[6a]-3:	C[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2H)(C[6a]C[6a]2)	C[3x5](C[5,5]C[5,6a]2C[6a])3(H)	C[6a](C[5,5]C[5,6a]2C[3x5])(C[6a]C[6a]H)2	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2H)(C[6a]C[6a]2){10|C<3>,4|H<1>}	C[3x5](C[5,5]C[5,6a]2C[6a])3(H){12|C<3>}	C[6a](C[5,5]C[5,6a]2C[3x5])(C[6a]C[6a]H)2{2|C<4>,3|H<1>,5|C<3>}	111.9787	0.696	12	111.9787	0.485	12	111.9787	0.485	12	111.9787	0.485	12	112.4871	1.539	15	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[3x5]	C[6a]	3:3:4:3:	4:4:4:4:	4:3:3:	C[5,5a]-3:C[5,5a]-3:C[3x5]-4:C[6a]-3:	C[5,5]-4:C[5,5]-4:C[5]-4:C[5]-4:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5a]C[5a,6a]C[5,5a])2(C[3x5]C[5,5]C[5]2)(C[6a]C[6a]2)	C[3x5](C[5,5]C[5,5a]2C[6a])(C[5,5]C[5,5a]O[5]H)(C[5]C[5,5a]HH)(C[5]C[5]HH)	C[6a](C[5,5]C[5,5a]2C[3x5])(C[6a]C[6a]H)2	C[5,5](C[5,5a]C[5a,6a]C[5,5a])2(C[3x5]C[5,5]C[5]2)(C[6a]C[6a]2){1|C<4>,1|O<2>,2|N<3>,6|C<3>,7|H<1>}	C[3x5](C[5,5]C[5,5a]2C[6a])(C[5,5]C[5,5a]O[5]H)(C[5]C[5,5a]HH)(C[5]C[5]HH){2|H<1>,2|N<3>,4|C<3>}	C[6a](C[5,5]C[5,5a]2C[3x5])(C[6a]C[6a]H)2{2|H<1>,3|C<4>,5|C<3>}	113.8370	0.000	1	113.8370	0.000	1	113.8370	0.000	1	113.8370	0.000	1	112.4871	1.539	15	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[3x5]	C[6a]	4:3:3:3:	4:3:4:4:	4:3:3:	C[3x5]-4:C[6a]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)	C[3x5](C[5,5]C[6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)	C[6a](C[5,5]C[3x5]C[5]N[5])(C[6a]C[6a]H)2	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|N<3>,4|C<3>,7|H<1>}	C[3x5](C[5,5]C[6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[6a](C[5,5]C[3x5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	114.9500	0.000	1	114.9500	0.000	1	114.9500	0.000	1	114.9500	0.000	1	112.4871	1.539	15	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[3x5]	C[6a]	4:4:3:3:	3:4:4:4:	4:3:3:	C[3x5]-4:C[5]-4:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]O[5]O)	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[6a]C[5]2)(C[5,5]N[5]O[5]H)(C[5]O[5]HH)	C[6a](C[5,5]C[3x5]C[5]2)(C[6a]C[6a]H)2	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]O[5]O){1|N<3>,5|H<1>,6|C<3>}	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[6a]C[5]2)(C[5,5]N[5]O[5]H)(C[5]O[5]HH){1|O<1>,1|S<4>,2|H<1>,5|C<3>}	C[6a](C[5,5]C[3x5]C[5]2)(C[6a]C[6a]H)2{1|O<1>,2|C<4>,2|O<2>,3|C<3>,3|H<1>}	114.7740	0.000	1	114.7740	0.000	1	114.7740	0.000	1	114.7740	0.000	1	112.4871	1.539	15	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5,5,6]	C[6a]	3:4:3:2:	4:4:4:1:	4:3:2:	C[5,6a]-3:C[5,5,6]-4:C[6a]-3:O[5]-2:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:C[6a]-3:N[6a]-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,6]2H)(C[6a]C[6a]N[6a])(O[5]C[5])	C[5,5,6](C[5,5]C[5,6a]C[6a]O[5])(C[5,6]C[5,6a]C[6]H)(C[5,6]C[5]C[6]H)(H)	C[6a](C[5,5]C[5,5,6]C[5,6a]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,6]2H)(C[6a]C[6a]N[6a])(O[5]C[5]){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5,5,6](C[5,5]C[5,6a]C[6a]O[5])(C[5,6]C[5,6a]C[6]H)(C[5,6]C[5]C[6]H)(H){1|C<4>,1|N<2>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[5,5]C[5,5,6]C[5,6a]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<4>,3|H<1>,4|C<3>}	115.3630	0.000	1	115.3630	0.000	1	115.3630	0.000	1	115.3630	0.000	1	116.8021	3.340	27	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5,5,6]	C[6a]	4:3:3:1:	4:4:2:1:	4:3:3:	C[5,5,6]-4:N[5,5,6]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(N[5,5,6]C[5,6]S[5,6])(C[6a]C[6a]2)(H)	C[5,5,6](C[5,5]N[5,5,6]C[6a]H)(C[5,6]C[5,6]HH)(O[5,6]S[5,6])(H)	C[6a](C[5,5]C[5,5,6]N[5,5,6]H)(C[6a]C[6a]H)2	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(N[5,5,6]C[5,6]S[5,6])(C[6a]C[6a]2)(H){2|C<3>,2|O<1>,6|H<1>}	C[5,5,6](C[5,5]N[5,5,6]C[6a]H)(C[5,6]C[5,6]HH)(O[5,6]S[5,6])(H){2|C<3>,2|H<1>,2|O<1>}	C[6a](C[5,5]C[5,5,6]N[5,5,6]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,1|S<4>,2|C<4>,3|H<1>}	115.5820	0.000	1	115.5820	0.000	1	115.5820	0.000	1	115.5820	0.000	1	116.8021	3.340	27	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5,5,6]	C[6a]	4:3:3:2:	4:3:3:3:	4:3:3:	C[5,5,6]-4:C[6a]-3:N[5]-3:N[5]-2:	C[5,5]-4:N[5,6]-3:N[5,6]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5,6]N[5,6]2C[6a])(C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5])	C[5,5,6](C[5,5]C[6a]N[5]2)(N[5,6]C[5]C[6])2(C[6a]C[6a]2)	C[6a](C[5,5]C[5,5,6]N[5]2)(C[6a]C[6a]H)2	C[5,5](C[5,5,6]N[5,6]2C[6a])(C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5]){2|C<4>,2|H<1>,2|S<1>,4|C<3>}	C[5,5,6](C[5,5]C[6a]N[5]2)(N[5,6]C[5]C[6])2(C[6a]C[6a]2){1|N<3>,2|S<1>,4|C<3>,7|H<1>}	C[6a](C[5,5]C[5,5,6]N[5]2)(C[6a]C[6a]H)2{2|N<3>,3|H<1>,4|C<3>}	117.3070	0.000	1	117.3070	0.000	1	117.3070	0.000	1	117.3070	0.000	1	116.8021	3.340	27	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5,5,6]	C[6a]	4:3:3:3:	4:3:3:3:	4:3:3:	C[5,5,6]-4:C[6a]-3:N[5]-3:N[5]-3:	C[5,5]-4:N[5,6]-3:N[5,6]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5,6]N[5,6]2C[6a])(C[6a]C[6a]2)(N[5]C[5]H)2	C[5,5,6](C[5,5]C[6a]N[5]2)(N[5,6]C[5]C[6])2(C[6a]C[6a]2)	C[6a](C[5,5]C[5,5,6]N[5]2)(C[6a]C[6a]H)2	C[5,5](C[5,5,6]N[5,6]2C[6a])(C[6a]C[6a]2)(N[5]C[5]H)2{2|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[5,5,6](C[5,5]C[6a]N[5]2)(N[5,6]C[5]C[6])2(C[6a]C[6a]2){1|N<3>,2|O<1>,4|C<3>,8|H<1>}	C[6a](C[5,5]C[5,5,6]N[5]2)(C[6a]C[6a]H)2{2|N<3>,4|C<3>,4|H<1>}	114.8920	0.000	1	116.0360	2.617	2	116.0360	2.617	2	116.0360	2.617	2	116.8021	3.340	27	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5,5,6]	C[6a]	4:3:3:3:	4:3:3:3:	4:3:3:	C[5,5,6]-4:C[6a]-3:N[5]-3:N[5]-3:	C[5,5]-4:N[5,6]-3:N[5,6]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5,6]N[5,6]2C[6a])(C[6a]C[6a]2)(N[5]C[5]H)2	C[5,5,6](C[5,5]C[6a]N[5]2)(N[5,6]C[5]C[6])2(C[6a]C[6a]2)	C[6a](C[5,5]C[5,5,6]N[5]2)(C[6a]C[6a]H)2	C[5,5](C[5,5,6]N[5,6]2C[6a])(C[6a]C[6a]2)(N[5]C[5]H)2{2|C<4>,2|H<1>,2|S<1>,4|C<3>}	C[5,5,6](C[5,5]C[6a]N[5]2)(N[5,6]C[5]C[6])2(C[6a]C[6a]2){1|N<3>,2|S<1>,4|C<3>,8|H<1>}	C[6a](C[5,5]C[5,5,6]N[5]2)(C[6a]C[6a]H)2{2|N<3>,4|C<3>,4|H<1>}	117.1800	0.000	1	116.0360	2.617	2	116.0360	2.617	2	116.0360	2.617	2	116.8021	3.340	27	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5,5,6]	C[6a]	4:3:4:2:	4:3:4:3:	4:3:2:	C[5,5,6]-4:C[6a]-3:C[5]-4:O[5]-2:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,5]-4:C[6a]-3:N[6a]-2:	C[5,5](C[5,5,6]C[6,6a]C[5,6]C[5])(C[6a]C[6a]N[6a])(C[5]C[5]HH)(O[5]C[5])	C[5,5,6](C[5,5]C[6a]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]C)	C[6a](C[5,5]C[5,5,6]C[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[5,5](C[5,5,6]C[6,6a]C[5,6]C[5])(C[6a]C[6a]N[6a])(C[5]C[5]HH)(O[5]C[5]){1|C<2>,1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[5,5,6](C[5,5]C[6a]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]C){1|N<2>,1|N<3>,1|O<2>,4|C<3>,6|H<1>}	C[6a](C[5,5]C[5,5,6]C[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<4>,4|C<3>,4|H<1>}	117.0660	0.000	1	117.0660	0.000	1	117.0660	0.000	1	117.0660	0.000	1	116.8021	3.340	27	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5,5,6]	C[6a]	4:3:4:2:	4:4:4:1:	4:3:2:	C[5,5,6]-4:C[6a]-3:C[5]-4:O[5]-2:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:C[6a]-3:N[6a]-2:	C[5,5](C[5,5,6]C[5,6]2H)(C[6a]C[6a]N[6a])(C[5]C[5]HH)(O[5]C[5])	C[5,5,6](C[5,5]C[6a]C[5]O[5])(C[5,6]C[5]C[6]H)2(H)	C[6a](C[5,5]C[5,5,6]C[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[5,5](C[5,5,6]C[5,6]2H)(C[6a]C[6a]N[6a])(C[5]C[5]HH)(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[6a]C[5]O[5])(C[5,6]C[5]C[6]H)2(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,8|H<1>}	C[6a](C[5,5]C[5,5,6]C[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,3|C<4>,5|H<1>}	116.9230	0.000	1	116.9230	0.000	1	116.9230	0.000	1	116.9230	0.000	1	116.8021	3.340	27	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5,5,6]	C[6a]	4:4:3:1:	4:3:3:1:	4:3:3:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:H-1:	C[5,5]-4:C[5,6]-3:C[5,6]-3:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5,6]C[5,6]2H)2(C[6a]C[6a]2)(H)	C[5,5,6](C[5,5]C[5,5,6]C[6a]H)(C[5,6]C[5,6]H)2(H)	C[6a](C[5,5]C[5,5,6]2H)(C[6a]C[6a]H)2	C[5,5](C[5,5,6]C[5,6]2H)2(C[6a]C[6a]2)(H){2|C<3>,6|H<1>}	C[5,5,6](C[5,5]C[5,5,6]C[6a]H)(C[5,6]C[5,6]H)2(H){2|C<3>,3|H<1>}	C[6a](C[5,5]C[5,5,6]2H)(C[6a]C[6a]H)2{4|H<1>,5|C<3>}	118.2460	2.876	4	118.2460	8.272	4	118.2460	8.272	4	118.2460	8.272	4	116.8021	3.340	27	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5,5,6]	C[6a]	4:4:3:1:	4:4:2:4:	4:3:3:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:C-4:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]2C)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,5]C[5,5,6]C[6a]H)(C[5,6]C[5,6]HH)(O[5,6]C[5,6])(CCCH)	C[6a](C[5,5]C[5,5,6]2H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]2C)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]C[6a]H)(C[5,6]C[5,6]HH)(O[5,6]C[5,6])(CCCH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,5]C[5,5,6]2H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<3>,2|O<2>,5|C<4>}	120.1700	0.000	1	120.1700	0.000	1	120.1700	0.000	1	120.1700	0.000	1	116.8021	3.340	27	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5,5,6]	C[6a]	4:4:3:1:	4:4:3:4:	4:3:3:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]2C)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,5]C[5,5,6]C[6a]H)(C[5,6]C[5,6]HH)(C[5,6]O[5,6]O)(CH3)	C[6a](C[5,5]C[5,5,6]2H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]2C)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]C[6a]H)(C[5,6]C[5,6]HH)(C[5,6]O[5,6]O)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,5]C[5,5,6]2H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<3>,2|O<2>,5|C<4>}	115.8210	0.000	1	115.8210	0.000	1	115.8210	0.000	1	115.8210	0.000	1	116.8021	3.340	27	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5,5,6]	C[6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:Br-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5,6]C[5,6]2H)2(C[6a]C[6a]2)(Br)	C[5,5,6](C[5,5]C[5,5,6]C[6a]Br)(C[5,6]C[5,6]HH)2(H)	C[6a](C[5,5]C[5,5,6]2Br)(C[6a]C[6a]H)2	C[5,5](C[5,5,6]C[5,6]2H)2(C[6a]C[6a]2)(Br){10|H<1>,2|C<3>}	C[5,5,6](C[5,5]C[5,5,6]C[6a]Br)(C[5,6]C[5,6]HH)2(H){2|C<3>,5|H<1>}	C[6a](C[5,5]C[5,5,6]2Br)(C[6a]C[6a]H)2{1|C<3>,4|C<4>,4|H<1>}	117.2785	0.616	2	117.2785	0.379	2	117.2785	0.379	2	117.5399	0.314	8	116.8021	3.340	27	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5,5,6]	C[6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:Cl-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5,6]C[5,6]2H)2(C[6a]C[6a]2)(Cl)	C[5,5,6](C[5,5]C[5,5,6]C[6a]Cl)(C[5,6]C[5,6]HH)2(H)	C[6a](C[5,5]C[5,5,6]2Cl)(C[6a]C[6a]H)2	C[5,5](C[5,5,6]C[5,6]2H)2(C[6a]C[6a]2)(Cl){10|H<1>,2|C<3>}	C[5,5,6](C[5,5]C[5,5,6]C[6a]Cl)(C[5,6]C[5,6]HH)2(H){2|C<3>,5|H<1>}	C[6a](C[5,5]C[5,5,6]2Cl)(C[6a]C[6a]H)2{1|C<3>,4|C<4>,4|H<1>}	117.6710	0.098	2	117.6710	0.010	2	117.6710	0.010	2	117.5399	0.314	8	116.8021	3.340	27	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5,5,6]	C[6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5,6]C[5,6]2H)2(C[6a]C[6a]2)(H)	C[5,5,6](C[5,5]C[5,5,6]C[6a]H)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H)	C[6a](C[5,5]C[5,5,6]2H)(C[6a]C[6a]H)2	C[5,5](C[5,5,6]C[5,6]2H)2(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,9|H<1>}	C[5,5,6](C[5,5]C[5,5,6]C[6a]H)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(H){2|C<3>,5|H<1>}	C[6a](C[5,5]C[5,5,6]2H)(C[6a]C[6a]H)2{1|C<3>,4|C<4>,4|H<1>}	117.1930	0.000	1	117.1930	0.000	1	117.8230	0.794	2	117.5399	0.314	8	116.8021	3.340	27	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5,5,6]	C[6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5,6]C[5,6]2H)2(C[6a]C[6a]2)(H)	C[5,5,6](C[5,5]C[5,5,6]C[6a]H)(C[5,6]C[5,6]HH)2(H)	C[6a](C[5,5]C[5,5,6]2H)(C[6a]C[6a]H)2	C[5,5](C[5,5,6]C[5,6]2H)2(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,9|H<1>}	C[5,5,6](C[5,5]C[5,5,6]C[6a]H)(C[5,6]C[5,6]HH)2(H){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[5,5]C[5,5,6]2H)(C[6a]C[6a]H)2{1|C<3>,4|C<4>,4|H<1>}	118.4530	0.000	1	118.4530	0.000	1	117.8230	0.794	2	117.5399	0.314	8	116.8021	3.340	27	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5,5,6]	C[6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:I-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5,6]C[5,6]2H)2(C[6a]C[6a]2)(I)	C[5,5,6](C[5,5]C[5,5,6]C[6a]I)(C[5,6]C[5,6]HH)2(H)	C[6a](C[5,5]C[5,5,6]2I)(C[6a]C[6a]H)2	C[5,5](C[5,5,6]C[5,6]2H)2(C[6a]C[6a]2)(I){10|H<1>,2|C<3>}	C[5,5,6](C[5,5]C[5,5,6]C[6a]I)(C[5,6]C[5,6]HH)2(H){2|C<3>,5|H<1>}	C[6a](C[5,5]C[5,5,6]2I)(C[6a]C[6a]H)2{1|C<3>,4|C<4>,4|H<1>}	117.3870	0.799	2	117.3870	0.638	2	117.3870	0.638	2	117.5399	0.314	8	116.8021	3.340	27	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5,5,6]	C[6a]	4:4:3:3:	4:4:4:1:	4:3:3:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:C-3:	C[3,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5,6]C[3,5,6]C[5,6]H)2(C[6a]C[6a]2)(CCO)	C[5,5,6](C[3,5,6]C[3,5,6]C[3]H)(C[5,5]C[5,5,6]C[6a]C)(C[5,6]C[5,6]HH)(H)	C[6a](C[5,5]C[5,5,6]2C)(C[6a]C[6a]H)2	C[5,5](C[5,5,6]C[3,5,6]C[5,6]H)2(C[6a]C[6a]2)(CCO){1|C<4>,2|C<3>,8|H<1>}	C[5,5,6](C[3,5,6]C[3,5,6]C[3]H)(C[5,5]C[5,5,6]C[6a]C)(C[5,6]C[5,6]HH)(H){2|C<3>,6|H<1>}	C[6a](C[5,5]C[5,5,6]2C)(C[6a]C[6a]H)2{1|C<3>,4|C<4>,4|H<1>}	116.4115	1.060	2	116.4115	1.124	2	116.4115	1.124	2	115.0083	1.566	6	116.8021	3.340	27	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5,5,6]	C[6a]	4:4:3:3:	4:4:4:1:	4:3:3:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5,6]C[5,6]2H)2(C[6a]C[6a]2)2	C[5,5,6](C[5,5]C[5,5,6]C[6a]2)(C[5,6]C[5,6]HH)2(H)	C[6a](C[5,5]C[5,5,6]2C[6a])(C[6a]C[6a]H)2	C[5,5](C[5,5,6]C[5,6]2H)2(C[6a]C[6a]2)2{12|H<1>,4|C<3>}	C[5,5,6](C[5,5]C[5,5,6]C[6a]2)(C[5,6]C[5,6]HH)2(H){4|C<3>,5|H<1>}	C[6a](C[5,5]C[5,5,6]2C[6a])(C[6a]C[6a]H)2{3|C<3>,4|C<4>,4|H<1>}	114.3067	0.516	4	114.3067	0.266	4	114.3067	0.266	4	115.0083	1.566	6	116.8021	3.340	27	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[6a]	3:4:3:2:	4:4:3:1:	4:3:3:	N[5]-3:C[5,5]-4:C[6a]-3:O[5]-2:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](N[5]C[6a]C[5])(C[5,5]C[5]2H)(C[6a]C[6a]2)(O[5]C[5])	C[5,5](C[5,5]C[6a]N[5]O[5])(C[5]C[5]CH)(C[5]C[5]C)(H)	C[6a](C[5,5]C[5,5]N[5]O[5])(C[6a]C[6a]H)2	C[5,5](N[5]C[6a]C[5])(C[5,5]C[5]2H)(C[6a]C[6a]2)(O[5]C[5]){1|N<3>,1|S<1>,3|H<1>,6|C<3>}	C[5,5](C[5,5]C[6a]N[5]O[5])(C[5]C[5]CH)(C[5]C[5]C)(H){1|N<3>,1|S<1>,3|C<3>}	C[6a](C[5,5]C[5,5]N[5]O[5])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,5|C<3>}	115.6380	0.000	1	115.6380	0.000	1	115.6380	0.000	1	115.6380	0.000	1	115.3068	3.693	132	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[6a]	3:4:3:2:	4:4:4:1:	4:3:2:	C[6a]-3:C[5,5]-4:C[5]-3:N[5]-2:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:N[6a]-2:	C[5,5](C[6a]C[6a]N[6a])(C[5,5]C[5]2H)(C[5]C[5]N)(N[5]C[5])	C[5,5](C[5,5]C[6a]C[5]N[5])(C[5]C[5]HH)2(H)	C[6a](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[5,5](C[6a]C[6a]N[6a])(C[5,5]C[5]2H)(C[5]C[5]N)(N[5]C[5]){3|C<3>,7|H<1>}	C[5,5](C[5,5]C[6a]C[5]N[5])(C[5]C[5]HH)2(H){2|C<3>,2|H<1>,2|N<2>}	C[6a](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,3|C<4>,3|H<1>}	113.7697	0.644	3	113.7697	0.415	3	113.7697	0.415	3	113.7697	0.415	3	115.3068	3.693	132	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[6a]	3:4:3:2:	4:4:4:1:	4:3:3:	C[5,5a]-3:C[5,5]-4:C[6a]-3:O[5]-2:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5]2H)(C[6a]C[6a]2)(O[5]C[5])	C[5,5](C[5,5]C[5,5a]C[6a]O[5])(C[5]C[5,5a]HH)(C[5]C[5]HH)(H)	C[6a](C[5,5]C[5,5a]C[5,5]O[5])(C[6a]C[6a]H)2	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5]2H)(C[6a]C[6a]2)(O[5]C[5]){1|S<4>,4|C<3>,8|H<1>}	C[5,5](C[5,5]C[5,5a]C[6a]O[5])(C[5]C[5,5a]HH)(C[5]C[5]HH)(H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5,5]C[5,5a]C[5,5]O[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	112.4400	0.000	1	112.4400	0.000	1	113.5005	2.249	2	113.3250	1.217	3	115.3068	3.693	132	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[6a]	3:4:3:2:	4:4:4:1:	4:3:3:	C[5,5a]-3:C[5,5]-4:C[6a]-3:O[5]-2:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5]2H)(C[6a]C[6a]2)(O[5]C[5])	C[5,5](C[5,5]C[5,5a]C[6a]O[5])(C[5]C[5,5a]HH)(C[5]C[5]HH)(H)	C[6a](C[5,5]C[5,5a]C[5,5]O[5])(C[6a]C[6a]H)2	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5]2H)(C[6a]C[6a]2)(O[5]C[5]){1|N<3>,4|C<3>,8|H<1>}	C[5,5](C[5,5]C[5,5a]C[6a]O[5])(C[5]C[5,5a]HH)(C[5]C[5]HH)(H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5,5]C[5,5a]C[5,5]O[5])(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	114.5610	0.000	1	114.5610	0.000	1	113.5005	2.249	2	113.3250	1.217	3	115.3068	3.693	132	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[6a]	3:4:3:2:	4:4:4:1:	4:3:3:	N[5]-3:C[5,5]-4:C[6a]-3:O[5]-2:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](N[5]C[6a]O[5])(C[5,5]C[5]2H)(C[6a]C[6a]2)(O[5]C[5])	C[5,5](C[5,5]C[6a]N[5]O[5])(C[5]C[5]HH)(C[5]O[5]CH)(H)	C[6a](C[5,5]C[5,5]N[5]O[5])(C[6a]C[6a]H)2	C[5,5](N[5]C[6a]O[5])(C[5,5]C[5]2H)(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,4|C<3>,7|H<1>}	C[5,5](C[5,5]C[6a]N[5]O[5])(C[5]C[5]HH)(C[5]O[5]CH)(H){2|H<1>,3|C<3>}	C[6a](C[5,5]C[5,5]N[5]O[5])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	112.9740	0.000	1	112.9740	0.000	1	112.9740	0.000	1	113.3250	1.217	3	115.3068	3.693	132	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[6a]	3:4:3:3:	4:3:2:2:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:O[5]-2:O-2:	C[5,5]-4:C[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)(C[6a]C[6a]2)	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5,6a])(OH)	C[6a](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]O)(C[5]C[5,6a]O)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5,6a])(OH){1|H<1>,1|O<1>,6|C<3>}	C[6a](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]H)2{1|O<1>,2|C<4>,2|O<2>,5|C<3>}	115.7880	0.000	1	115.7880	0.000	1	115.7880	0.000	1	115.7880	0.000	1	115.3068	3.693	132	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[6a]	3:4:3:3:	4:3:2:4:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:O[5]-2:C-4:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]C)(C[6a]C[6a]2)(C[5]C[5]O)	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(O[5]C[5,6a])(CH3)	C[6a](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]C)(C[6a]C[6a]2)(C[5]C[5]O){4|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(O[5]C[5,6a])(CH3){1|H<1>,1|O<1>,6|C<3>}	C[6a](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	114.7340	0.000	1	114.7340	0.000	1	114.7340	0.000	1	114.7340	0.000	1	115.3068	3.693	132	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[6a]	3:4:3:3:	4:3:4:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:N[5]-3:C[5]-4:C-3:	C[5,5]-4:C[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[6a]C[6a]2)(C[5]C[5]C)	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]H)(C[5]C[5]HH)(COO)	C[6a](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(C[6a]C[6a]2)(C[5]C[5]C){4|C<3>,8|H<1>}	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]H)(C[5]C[5]HH)(COO){2|H<1>,5|C<3>}	C[6a](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,2|H<1>,5|C<3>}	112.6460	0.000	1	112.6460	0.000	1	112.6460	0.000	1	112.6460	0.000	1	115.3068	3.693	132	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[6a]	3:4:3:3:	4:3:4:4:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:N[5]-3:C[5]-4:C-4:	C[5,5]-4:C[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[6a]C[6a]2)(C[5]C[5]C)	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]H)(C[5]C[5]HH)(CClHH)	C[6a](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(C[6a]C[6a]2)(C[5]C[5]C){4|C<3>,8|H<1>}	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]H)(C[5]C[5]HH)(CClHH){2|H<1>,5|C<3>}	C[6a](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<4>,4|C<3>}	112.2160	0.000	1	112.2160	0.000	1	112.2160	0.000	1	112.2160	0.000	1	115.3068	3.693	132	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[6a]	3:4:3:3:	4:4:3:1:	4:3:3:	N[5,5,6]-3:C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](N[5,5,6]C[5,6]N[5,6])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]O[5]O)	C[5,5](C[5,5]N[5,5,6]C[6a]C[5])(C[5,5]N[5,6]C[5]H)(C[5]N[5]O)(H)	C[6a](C[5,5]N[5,5,6]C[5,5]C[5])(C[6a]C[6a]H)2	C[5,5](N[5,5,6]C[5,6]N[5,6])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]O[5]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5,5](C[5,5]N[5,5,6]C[6a]C[5])(C[5,5]N[5,6]C[5]H)(C[5]N[5]O)(H){1|O<2>,2|C<4>,2|O<1>,3|C<3>}	C[6a](C[5,5]N[5,5,6]C[5,5]C[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	113.5170	0.000	1	113.5170	0.000	1	113.5170	0.000	1	113.5170	0.000	1	115.3068	3.693	132	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[6a]	3:4:3:4:	4:3:2:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:C[5]-4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:C[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[6a]C[6a]2)(C[5]C[5]HH)	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]C)(O[5]C[5])(H)	C[6a](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|O<2>,4|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]C)(O[5]C[5])(H){4|C<3>,4|H<1>}	C[6a](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|N<3>,3|C<3>,4|H<1>}	114.2300	0.000	1	114.2300	0.000	1	114.2300	0.000	1	114.2300	0.000	1	115.3068	3.693	132	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[6a]	3:4:3:4:	4:3:2:4:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:C[5]-4:	C[5,5]-4:N[5]-3:O[5]-2:C-4:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]H)(O[5]C[5])(CH3)	C[6a](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]C)(C[6a]C[6a]2)(C[5]C[5]HH){4|C<3>,6|H<1>}	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]H)(O[5]C[5])(CH3){4|C<3>,4|H<1>}	C[6a](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	115.3710	0.000	1	115.3710	0.000	1	115.3710	0.000	1	115.3710	0.000	1	115.3068	3.693	132	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[6a]	3:4:3:4:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:C[5]-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]C)(N[5]C[5]C)(H)	C[6a](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[6a]C[6a]2)(C[5]C[5]HH){4|H<1>,7|C<3>}	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]C)(N[5]C[5]C)(H){3|H<1>,5|C<3>}	C[6a](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,2|N<3>,3|C<3>,5|H<1>}	114.7720	0.000	1	114.6840	0.015	2	114.6840	0.015	2	114.6840	0.015	2	115.3068	3.693	132	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[6a]	3:4:3:4:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:C[5]-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]C)(N[5]C[5]C)(H)	C[6a](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[6a]C[6a]2)(C[5]C[5]HH){5|H<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]C)(N[5]C[5]C)(H){4|C<3>,4|H<1>}	C[6a](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,2|N<3>,3|C<3>,5|H<1>}	114.5960	0.000	1	114.6840	0.015	2	114.6840	0.015	2	114.6840	0.015	2	115.3068	3.693	132	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[6a]	3:4:3:4:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:C[5]-4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[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[6a]C[6a]2)(C[5]O[5]HH)	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(C[5]C[5,6a]HH)(N[5]O[5]C)(H)	C[6a](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[6a]C[6a]2)(C[5]O[5]HH){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(C[5]C[5,6a]HH)(N[5]O[5]C)(H){2|H<1>,4|C<3>}	C[6a](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|O<2>,3|C<3>,4|H<1>}	112.5230	0.000	1	112.5230	0.000	1	112.5230	0.000	1	112.5230	0.000	1	115.3068	3.693	132	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[6a]	3:4:4:2:	4:4:4:1:	4:3:2:	C[6a]-3:C[5,5]-4:C[5]-4:O[5]-2:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:N[6a]-2:	C[5,5](C[6a]C[6a]N[6a])(C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[5])	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[5]CH)2(H)	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[5,5](C[6a]C[6a]N[6a])(C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[5]CH)2(H){1|C<3>,1|N<2>,1|O<1>,4|H<1>}	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,3|C<4>,5|H<1>}	113.6320	0.000	1	113.6320	0.000	1	113.6320	0.000	1	113.6320	0.000	1	115.3068	3.693	132	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[6a]	4:3:2:2:	3:4:3:1:	4:3:3:	C[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	C[5,6a]-3:C[5,5]-4:N[5,5]-3:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]N[5,5]H)(C[6a]C[6a]2)(O[5]C[5,6a])(O[5]C[5,5])	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[6a]O[5]2)(N[5,5]C[5,5]C[5])(H)	C[6a](C[5,5]C[5,5]O[5]2)(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5,6a]N[5,5]H)(C[6a]C[6a]2)(O[5]C[5,6a])(O[5]C[5,5]){2|C<4>,3|H<1>,4|C<3>}	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[6a]O[5]2)(N[5,5]C[5,5]C[5])(H){2|C<4>,3|H<1>,5|C<3>}	C[6a](C[5,5]C[5,5]O[5]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	116.6310	0.000	1	116.6310	0.000	1	116.6310	0.000	1	116.6310	0.000	1	115.3068	3.693	132	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[6a]	4:3:2:2:	4:2:2:1:	4:3:3:	C[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5]O[5]2H)(C[6a]C[6a]2)(O[5]C[5])2	C[5,5](C[5,5]C[6a]O[5]2)(O[5]C[5])2(H)	C[6a](C[5,5]C[5,5]O[5]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5,5](C[5,5]O[5]2H)(C[6a]C[6a]2)(O[5]C[5])2{1|C<4>,3|H<1>,4|C<3>}	C[5,5](C[5,5]C[6a]O[5]2)(O[5]C[5])2(H){2|H<1>,4|C<3>}	C[6a](C[5,5]C[5,5]O[5]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	119.7470	2.158	2	119.7470	4.657	2	118.6828	2.933	5	118.6828	2.933	5	115.3068	3.693	132	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[6a]	4:3:2:2:	4:2:2:1:	4:3:3:	C[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5]O[5]2H)(C[6a]C[6a]2)(O[5]C[5])2	C[5,5](C[5,5]C[6a]O[5]2)(O[5]C[5])2(H)	C[6a](C[5,5]C[5,5]O[5]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5,5](C[5,5]O[5]2H)(C[6a]C[6a]2)(O[5]C[5])2{1|O<2>,3|H<1>,4|C<3>}	C[5,5](C[5,5]C[6a]O[5]2)(O[5]C[5])2(H){2|H<1>,4|C<3>}	C[6a](C[5,5]C[5,5]O[5]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	119.3340	0.000	1	119.3340	0.000	1	118.6828	2.933	5	118.6828	2.933	5	115.3068	3.693	132	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[6a]	4:3:2:2:	4:2:2:1:	4:3:3:	C[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5]O[5]2H)(C[6a]C[6a]2)(O[5]C[5])2	C[5,5](C[5,5]C[6a]O[5]2)(O[5]C[5])2(H)	C[6a](C[5,5]C[5,5]O[5]2)(C[6a]C[6a]H)2	C[5,5](C[5,5]O[5]2H)(C[6a]C[6a]2)(O[5]C[5])2{4|C<3>,4|H<1>}	C[5,5](C[5,5]C[6a]O[5]2)(O[5]C[5])2(H){2|H<1>,4|C<3>}	C[6a](C[5,5]C[5,5]O[5]2)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	117.2930	0.724	2	117.2930	0.524	2	118.6828	2.933	5	118.6828	2.933	5	115.3068	3.693	132	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[6a]	4:3:2:2:	4:3:3:1:	4:3:3:	C[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5]2H)(C[6a]C[6a]2)(O[5]C[5])2	C[5,5](C[5,5]C[6a]O[5]2)(C[5]C[5]C)2(H)	C[6a](C[5,5]C[5,5]O[5]2)(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5]2H)(C[6a]C[6a]2)(O[5]C[5])2{1|C<2>,1|N<3>,2|H<1>,4|C<3>}	C[5,5](C[5,5]C[6a]O[5]2)(C[5]C[5]C)2(H){1|N<3>,3|C<3>}	C[6a](C[5,5]C[5,5]O[5]2)(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	116.9415	0.549	2	116.9415	0.302	2	116.9415	0.302	2	116.9415	0.302	2	115.3068	3.693	132	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[6a]	4:3:3:2:	4:3:3:1:	4:3:3:	C[5,5]-4:C[5]-3:C[6a]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[5]-3:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6a])	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6a]){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|O<2>,5|C<3>}	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2{3|H<1>,6|C<3>}	114.8340	0.000	1	114.8340	0.000	1	114.8340	0.000	1	116.6930	4.883	3	115.3068	3.693	132	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[6a]	4:3:3:2:	4:3:3:1:	4:3:3:	C[5,5]-4:N[5]-3:C[6a]-3:O[5]-2:	C[5,5]-4:C[5,6]-3:N[5]-3:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6]N[5]H)(N[5]C[5,6]C[6a])(C[6a]C[6a]2)(O[5]C[5])	C[5,5](C[5,5]C[6a]N[5]O[5])(C[5,6]C[5,6]C[6])(N[5]C[5]C)(H)	C[6a](C[5,5]C[5,5]N[5]O[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5,6]N[5]H)(N[5]C[5,6]C[6a])(C[6a]C[6a]2)(O[5]C[5]){2|C<4>,3|H<1>,6|C<3>}	C[5,5](C[5,5]C[6a]N[5]O[5])(C[5,6]C[5,6]C[6])(N[5]C[5]C)(H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[6a](C[5,5]C[5,5]N[5]O[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	117.6225	2.140	2	117.6225	4.581	2	117.6225	4.581	2	116.6930	4.883	3	115.3068	3.693	132	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[6a]	4:3:3:2:	4:3:3:2:	4:3:3:	C[5,5]-4:C[5]-3:C[6a]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[5]-3:O-2:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6a])	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(OH)	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6a]){1|O<1>,1|O<2>,2|H<1>,6|C<3>}	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(OH){2|O<2>,5|C<3>}	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,6|C<3>}	116.0890	0.000	2	116.0890	0.000	2	116.0890	0.000	2	115.7763	0.883	4	115.3068	3.693	132	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[6a]	4:3:3:2:	4:3:3:2:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:N[5]-2:	C[5,5]-4:N[5]-3:C[6a]-3:N[5]-2:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5])	C[5,5](C[5,5]C[6a]C[5]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5]){2|H<1>,7|C<3>}	C[5,5](C[5,5]C[6a]C[5]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){2|H<1>,9|C<3>}	C[6a](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,2|N<3>,4|C<3>}	114.4010	0.000	1	114.4010	0.000	1	114.4010	0.000	1	115.7763	0.883	4	115.3068	3.693	132	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[6a]	4:3:3:2:	4:3:3:2:	4:3:3:	C[5,5]-4:N[5]-3:C[6a]-3:N[5]-2:	C[5,5]-4:C[6a]-3:C[5]-3:N[5]-2:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5]C[6a]C[5]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5])	C[6a](C[5,5]C[5,5]N[5]2)(C[6a]C[6a]H)2	C[5,5](C[5,5]C[6a]C[5]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){2|H<1>,9|C<3>}	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5]){2|H<1>,7|C<3>}	C[6a](C[5,5]C[5,5]N[5]2)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,5|C<3>}	116.5260	0.000	1	116.5260	0.000	1	116.5260	0.000	1	115.7763	0.883	4	115.3068	3.693	132	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[6a]	4:3:3:2:	4:3:3:3:	4:3:3:	C[5,5]-4:C[5]-3:C[6a]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6a])	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6a]){1|O<1>,3|H<1>,8|C<3>}	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O){4|H<1>,7|C<3>}	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	113.7405	0.037	2	113.7405	0.001	2	113.7405	0.001	2	113.7405	0.001	2	115.3068	3.693	132	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[6a]	4:3:3:2:	4:3:4:1:	4:3:3:	C[5,5]-4:C[6a]-3:N[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5]2H)(C[6a]C[6a]2)(N[5]O[5]C)(O[5]N[5])	C[5,5](C[5,5]C[6a]N[5]O[5])(C[5]C[6a]N[5])(C[5]O[5]CH)(H)	C[6a](C[5,5]C[5,5]N[5]O[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5]2H)(C[6a]C[6a]2)(N[5]O[5]C)(O[5]N[5]){1|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5,5]C[6a]N[5]O[5])(C[5]C[6a]N[5])(C[5]O[5]CH)(H){1|C<4>,4|C<3>}	C[6a](C[5,5]C[5,5]N[5]O[5])(C[6a]C[6a]H)2{1|N<2>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	118.7540	0.000	1	118.7540	0.000	1	117.1970	1.827	3	115.6375	10.946	4	115.3068	3.693	132	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[6a]	4:3:3:2:	4:3:4:1:	4:3:3:	C[5,5]-4:C[6a]-3:N[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5]2H)(C[6a]C[6a]2)(N[5]O[5]C)(O[5]N[5])	C[5,5](C[5,5]C[6a]N[5]O[5])(C[5]C[6a]N[5])(C[5]O[5]HH)(H)	C[6a](C[5,5]C[5,5]N[5]O[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5]2H)(C[6a]C[6a]2)(N[5]O[5]C)(O[5]N[5]){3|C<3>,4|H<1>}	C[5,5](C[5,5]C[6a]N[5]O[5])(C[5]C[6a]N[5])(C[5]O[5]HH)(H){1|C<4>,4|C<3>}	C[6a](C[5,5]C[5,5]N[5]O[5])(C[6a]C[6a]H)2{1|N<2>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	116.4185	0.131	2	116.4185	0.017	2	117.1970	1.827	3	115.6375	10.946	4	115.3068	3.693	132	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[6a]	4:3:3:2:	4:3:4:1:	4:3:3:	C[5,5]-4:C[6a]-3:N[5]-3:S[5]-2:	C[5,5]-4:C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(N[5]C[5,5]C)(S[5]C[5,6a])	C[5,5](C[5,5]C[6a]N[5]S[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(H)	C[6a](C[5,5]C[5,5]N[5]S[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(N[5]C[5,5]C)(S[5]C[5,6a]){1|C<4>,2|H<1>,7|C<3>}	C[5,5](C[5,5]C[6a]N[5]S[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,5|C<3>}	C[6a](C[5,5]C[5,5]N[5]S[5])(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	110.9590	0.000	1	110.9590	0.000	1	110.9590	0.000	1	115.6375	10.946	4	115.3068	3.693	132	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[6a]	4:3:3:2:	4:3:4:2:	4:3:3:	C[5,5]-4:N[5]-3:C[6a]-3:N[5]-2:	C[5,5]-4:C[6a]-3:C[5]-4:N[5]-2:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5]C[6a]C[5]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(C[5]C[5]CH)(N[5]N[5])	C[6a](C[5,5]C[5,5]N[5]2)(C[6a]C[6a]H)2	C[5,5](C[5,5]C[6a]C[5]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|C<2>,5|H<1>,7|C<3>}	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(C[5]C[5]CH)(N[5]N[5]){4|H<1>,6|C<3>}	C[6a](C[5,5]C[5,5]N[5]2)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<4>,2|H<1>,3|C<3>}	114.0880	0.000	1	117.2400	19.870	2	117.2400	19.870	2	117.2400	19.870	2	115.3068	3.693	132	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[6a]	4:3:3:2:	4:3:4:2:	4:3:3:	C[5,5]-4:N[5]-3:C[6a]-3:N[5]-2:	C[5,5]-4:C[6a]-3:C[5]-4:N[5]-2:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5]C[6a]C[5]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(C[5]C[5]CH)(N[5]N[5])	C[6a](C[5,5]C[5,5]N[5]2)(C[6a]C[6a]H)2	C[5,5](C[5,5]C[6a]C[5]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){4|H<1>,9|C<3>}	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(C[5]C[5]CH)(N[5]N[5]){3|H<1>,7|C<3>}	C[6a](C[5,5]C[5,5]N[5]2)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<4>,2|H<1>,3|C<3>}	120.3920	0.000	1	117.2400	19.870	2	117.2400	19.870	2	117.2400	19.870	2	115.3068	3.693	132	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[6a]	4:3:3:2:	4:3:4:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:S[5]-4:S-3:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5]S[5]S)(C[6a]C[6a]2)(C[5]N[5]N)(O[5]N[5])	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[6a]N[5])(S[5]N[5]OO)(SCO)	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5]S[5]S)(C[6a]C[6a]2)(C[5]N[5]N)(O[5]N[5]){2|H<1>,2|O<1>,3|C<3>}	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[6a]N[5])(S[5]N[5]OO)(SCO){1|N<3>,4|C<3>}	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2{1|N<3>,1|S<3>,1|S<4>,2|C<3>,2|H<1>,2|N<2>}	117.0485	1.022	2	117.0485	1.044	2	117.0485	1.044	2	116.5377	1.305	3	115.3068	3.693	132	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[6a]	4:3:3:2:	4:3:4:3:	4:3:3:	C[5,5]-4:N[5]-3:C[6a]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[5]-4:N-3:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]S)(C[6a]C[6a]2)(O[5]C[5])	C[5,5](C[5,5]C[6a]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(NHH)	C[6a](C[5,5]C[5,5]N[5]O[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]S)(C[6a]C[6a]2)(O[5]C[5]){2|C<4>,4|C<3>,4|H<1>}	C[5,5](C[5,5]C[6a]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(NHH){1|S<4>,3|H<1>,4|C<3>}	C[6a](C[5,5]C[5,5]N[5]O[5])(C[6a]C[6a]H)2{1|N<3>,1|S<4>,2|C<4>,2|H<1>,3|C<3>}	115.5160	0.000	1	115.5160	0.000	1	115.5160	0.000	1	116.5377	1.305	3	115.3068	3.693	132	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[6a]	4:3:3:2:	4:3:4:4:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:S[5]-4:S-4:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5]S[5]S)(C[6a]C[6a]2)(C[5]N[5]N)(O[5]N[5])	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[6a]N[5])(S[5]N[5]OO)(SCOO)	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5]S[5]S)(C[6a]C[6a]2)(C[5]N[5]N)(O[5]N[5]){2|H<1>,2|O<1>,3|C<3>}	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[6a]N[5])(S[5]N[5]OO)(SCOO){1|N<3>,4|C<3>}	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>,2|N<2>,2|S<4>}	119.5120	0.000	1	119.5120	0.000	1	119.5120	0.000	1	117.8105	5.790	2	115.3068	3.693	132	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[6a]	4:3:3:2:	4:3:4:4:	4:3:3:	C[5,5]-4:N[5]-3:C[6a]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[5]-4:C-4:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(C[6a]C[6a]2)(O[5]C[5])	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[6a](C[5,5]C[5,5]N[5]O[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	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[6a](C[5,5]C[5,5]N[5]O[5])(C[6a]C[6a]H)2{2|H<1>,3|C<3>,4|C<4>}	116.1090	0.000	1	116.1090	0.000	1	116.1090	0.000	1	117.8105	5.790	2	115.3068	3.693	132	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[6a]	4:3:3:2:	4:4:3:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:O[5]-2:	C[5,5]-4:S[5]-4:C[5]-3:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5]S[5]H)(C[6a]C[6a]2)(C[5]N[5]N)(O[5]N[5])	C[5,5](C[5,5]C[6a]C[5]O[5])(S[5]N[5]OO)(C[5]N[5]C)(H)	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5]S[5]H)(C[6a]C[6a]2)(C[5]N[5]N)(O[5]N[5]){2|H<1>,2|O<1>,3|C<3>}	C[5,5](C[5,5]C[6a]C[5]O[5])(S[5]N[5]OO)(C[5]N[5]C)(H){1|N<3>,2|C<3>}	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2{1|N<3>,1|S<4>,2|C<3>,2|N<2>,3|H<1>}	113.4240	0.000	1	113.4240	0.000	1	113.4240	0.000	1	113.4240	0.000	1	115.3068	3.693	132	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[6a]	4:3:3:2:	4:4:3:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:N[5]-2:	C[5,5]-4:S[5]-4:N[5]-3:S-3:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5]N[5]S[5]S)(C[6a]C[6a]2)(C[5]N[5]N)(N[5]N[5])	C[5,5](C[5,5]C[6a]C[5]N[5])(S[5]N[5]OO)(N[5]N[5]H)(SCO)	C[6a](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]N[5]S[5]S)(C[6a]C[6a]2)(C[5]N[5]N)(N[5]N[5]){2|C<3>,2|O<1>,3|H<1>}	C[5,5](C[5,5]C[6a]C[5]N[5])(S[5]N[5]OO)(N[5]N[5]H)(SCO){1|N<3>,2|C<3>}	C[6a](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|S<3>,1|S<4>,2|H<1>,2|N<2>,2|N<3>}	115.1240	0.000	1	115.1240	0.000	1	115.1240	0.000	1	115.1240	0.000	1	115.3068	3.693	132	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[6a]	4:3:3:2:	4:4:4:1:	4:3:3:	C[5,5]-4:C[6a]-3:N[5]-3:O[5]-2:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5]2H)(C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])	C[5,5](C[5,5]C[6a]N[5]O[5])(C[5]C[5]HH)(C[5]C[5]HN)(H)	C[6a](C[5,5]C[5,5]N[5]O[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5]2H)(C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5]){1|N<3>,1|O<1>,2|C<3>,7|H<1>}	C[5,5](C[5,5]C[6a]N[5]O[5])(C[5]C[5]HH)(C[5]C[5]HN)(H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,5]C[5,5]N[5]O[5])(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	116.8220	0.000	1	116.8220	0.000	1	116.8220	0.000	1	116.8220	0.000	1	115.3068	3.693	132	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[6a]	4:3:3:3:	4:3:3:2:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:C[6a]-3:O[5]-2:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O){4|H<1>,7|C<3>}	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6a]){1|O<1>,3|H<1>,8|C<3>}	C[6a](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|H<1>,6|C<3>}	114.2465	0.414	2	114.2465	0.171	2	114.2465	0.171	2	114.2465	0.171	2	115.3068	3.693	132	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[6a]	4:3:3:3:	4:3:3:3:	4:3:3:	C[5,5]-4:C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]C[6a]N[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]H)(C[6a]C[6a]2)	C[5,5](C[5,5]C[5,6a]C[6a]N[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[5,5]C[5,6a]C[5,5]N[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5,6a]C[6a]N[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]H)(C[6a]C[6a]2){1|O<2>,3|H<1>,8|C<3>}	C[5,5](C[5,5]C[5,6a]C[6a]N[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]H)(C[6a]C[6a]2){1|O<2>,3|H<1>,8|C<3>}	C[6a](C[5,5]C[5,6a]C[5,5]N[5])(C[6a]C[6a]H)2{1|N<3>,3|H<1>,6|C<3>}	114.6795	0.613	2	114.6795	0.376	2	114.6795	0.376	2	115.3445	0.856	52	115.3068	3.693	132	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[6a]	4:3:3:3:	4:3:3:3:	4:3:3:	C[5,5]-4:C[6a]-3:N[5]-3:C[5]-3:	C[5,5]-4:C[6a]-3:N[5]-3:C[5]-3:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5]C[6a]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5]Co)(C[5]C[5]H)	C[5,5](C[5,5]C[6a]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5]Co)(C[5]C[5]H)	C[6a](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[6a]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5]Co)(C[5]C[5]H){1|Co<3>,2|C<4>,3|H<1>,4|C<3>}	C[5,5](C[5,5]C[6a]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5]Co)(C[5]C[5]H){1|Co<3>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)2{1|Co<3>,1|N<3>,3|H<1>,5|C<3>}	115.6475	0.361	2	115.6475	0.131	2	115.6475	0.131	2	115.3445	0.856	52	115.3068	3.693	132	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[6a]	4:3:3:3:	4:3:3:3:	4:3:3:	C[5,5]-4:C[6a]-3:N[5]-3:N[5]-3:	C[5,5]-4:C[6a]-3:N[5]-3:N[5]-3:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(N[5]C[5]C)2	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(N[5]C[5]C)2	C[6a](C[5,5]C[5,5]N[5]2)(C[6a]C[6a]H)2	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(N[5]C[5]C)2{2|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(N[5]C[5]C)2{2|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[5,5]C[5,5]N[5]2)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,2|N<3>,4|C<3>}	114.7343	0.695	12	114.7727	0.462	13	115.3596	0.895	48	115.3445	0.856	52	115.3068	3.693	132	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[6a]	4:3:3:3:	4:3:3:3:	4:3:3:	C[5,5]-4:C[6a]-3:N[5]-3:N[5]-3:	C[5,5]-4:C[6a]-3:N[5]-3:N[5]-3:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(N[5]C[5]C)2	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(N[5]C[5]C)2	C[6a](C[5,5]C[5,5]N[5]2)(C[6a]C[6a]H)2	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(N[5]C[5]C)2{2|C<4>,2|H<1>,2|S<1>,4|C<3>}	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(N[5]C[5]C)2{2|C<4>,2|H<1>,2|S<1>,4|C<3>}	C[6a](C[5,5]C[5,5]N[5]2)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,2|N<3>,4|C<3>}	115.2330	0.000	1	114.7727	0.462	13	115.3596	0.895	48	115.3445	0.856	52	115.3068	3.693	132	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[6a]	4:3:3:3:	4:3:3:3:	4:3:3:	C[5,5]-4:C[6a]-3:N[5]-3:N[5]-3:	C[5,5]-4:C[6a]-3:N[5]-3:N[5]-3:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(N[5]C[5]C)2	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(N[5]C[5]H)2	C[6a](C[5,5]C[5,5]N[5]2)(C[6a]C[6a]H)2	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(N[5]C[5]C)2{2|O<1>,4|C<3>,4|H<1>}	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(N[5]C[5]H)2{2|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[5,5]C[5,5]N[5]2)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,2|N<3>,4|C<3>}	115.2043	0.896	16	115.2043	0.803	16	115.3596	0.895	48	115.3445	0.856	52	115.3068	3.693	132	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[6a]	4:3:3:3:	4:3:3:3:	4:3:3:	C[5,5]-4:C[6a]-3:N[5]-3:N[5]-3:	C[5,5]-4:C[6a]-3:N[5]-3:N[5]-3:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(N[5]C[5]H)2	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(N[5]C[5]C)2	C[6a](C[5,5]C[5,5]N[5]2)(C[6a]C[6a]H)2	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(N[5]C[5]H)2{2|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(N[5]C[5]C)2{2|O<1>,4|C<3>,4|H<1>}	C[6a](C[5,5]C[5,5]N[5]2)(C[6a]C[6a]H)2{2|N<3>,4|C<3>,4|H<1>}	115.9181	0.968	16	115.9181	0.937	16	115.3596	0.895	48	115.3445	0.856	52	115.3068	3.693	132	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[6a]	4:3:3:3:	4:3:3:3:	4:3:3:	C[5,5]-4:C[6a]-3:N[5]-3:N[5]-3:	C[5,5]-4:C[6a]-3:N[5]-3:N[5]-3:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(N[5]C[5]H)2	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(N[5]C[5]H)2	C[6a](C[5,5]C[5,5]N[5]2)(C[6a]C[6a]H)2	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(N[5]C[5]H)2{1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(N[5]C[5]H)2{1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[5,5]C[5,5]N[5]2)(C[6a]C[6a]H)2{2|N<3>,4|C<3>,4|H<1>}	115.6470	0.233	2	115.7530	0.061	3	115.3596	0.895	48	115.3445	0.856	52	115.3068	3.693	132	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[6a]	4:3:3:3:	4:3:3:3:	4:3:3:	C[5,5]-4:C[6a]-3:N[5]-3:N[5]-3:	C[5,5]-4:C[6a]-3:N[5]-3:N[5]-3:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(N[5]C[5]H)2	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(N[5]C[5]H)2	C[6a](C[5,5]C[5,5]N[5]2)(C[6a]C[6a]H)2	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(N[5]C[5]H)2{2|O<1>,4|C<3>,4|H<1>}	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(N[5]C[5]H)2{2|O<1>,4|C<3>,4|H<1>}	C[6a](C[5,5]C[5,5]N[5]2)(C[6a]C[6a]H)2{2|N<3>,4|C<3>,4|H<1>}	115.9650	0.000	1	115.7530	0.061	3	115.3596	0.895	48	115.3445	0.856	52	115.3068	3.693	132	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[6a]	4:3:3:3:	4:3:4:1:	4:3:3:	C[5,5]-4:C[5]-3:C[6a]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(C[6a]C[6a]2)(N[5]C[5]H)	C[5,5](C[5,5]C[6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)	C[6a](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(C[6a]C[6a]2)(N[5]C[5]H){1|O<1>,4|C<3>,4|H<1>}	C[5,5](C[5,5]C[6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H){2|H<1>,2|O<1>,4|C<3>}	C[6a](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,4|C<3>,4|H<1>}	116.5600	0.000	1	116.5600	0.000	1	116.5600	0.000	1	116.5600	0.000	1	115.3068	3.693	132	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[6a]	4:3:4:2:	4:3:3:2:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:N[5]-2:	C[5,5]-4:N[5]-3:C[6a]-3:N[5]-2:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(C[5]C[5]CH)(N[5]N[5])	C[5,5](C[5,5]C[6a]C[5]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(C[5]C[5]CH)(N[5]N[5]){3|H<1>,7|C<3>}	C[5,5](C[5,5]C[6a]C[5]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){4|H<1>,9|C<3>}	C[6a](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|N<3>,3|C<3>,3|H<1>}	121.1370	0.000	1	118.1500	17.844	2	118.1500	17.844	2	118.1500	17.844	2	115.3068	3.693	132	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[6a]	4:3:4:2:	4:3:3:2:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:N[5]-2:	C[5,5]-4:N[5]-3:C[6a]-3:N[5]-2:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(C[5]C[5]CH)(N[5]N[5])	C[5,5](C[5,5]C[6a]C[5]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(C[5]C[5]CH)(N[5]N[5]){4|H<1>,6|C<3>}	C[5,5](C[5,5]C[6a]C[5]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|C<2>,5|H<1>,7|C<3>}	C[6a](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)2{1|C<2>,1|C<4>,1|N<2>,2|C<3>,2|N<3>,3|H<1>}	115.1630	0.000	1	118.1500	17.844	2	118.1500	17.844	2	118.1500	17.844	2	115.3068	3.693	132	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[6a]	4:3:4:2:	4:4:2:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:O[5]-2:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5]O[5]H)(C[6a]C[6a]2)(C[5]O[5]HH)(O[5]C[5])	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5]O[5]HO)(O[5]C[5])(H)	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5]O[5]H)(C[6a]C[6a]2)(C[5]O[5]HH)(O[5]C[5]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5]O[5]HO)(O[5]C[5])(H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|O<2>,5|H<1>}	116.4440	0.000	1	116.4440	0.000	1	116.4440	0.000	1	116.4440	0.000	1	115.3068	3.693	132	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[6a]	4:3:4:3:	4:3:2:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-3:S[5]-2:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5]S[5]H)(C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]O)	C[5,5](C[5,5]C[6a]C[5]2)(C[5]N[5]O)(S[5]C[5])(H)	C[6a](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5]S[5]H)(C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]O){1|O<1>,3|C<3>,4|H<1>}	C[5,5](C[5,5]C[6a]C[5]2)(C[5]N[5]O)(S[5]C[5])(H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<3>,4|H<1>}	116.3457	0.799	3	116.3457	0.639	3	116.3457	0.639	3	116.3457	0.639	3	115.3068	3.693	132	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[6a]	4:3:4:3:	4:4:3:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5]2H)(C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)	C[5,5](C[5,5]C[6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5]H)(H)	C[6a](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5]2H)(C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S){5|C<3>,5|H<1>}	C[5,5](C[5,5]C[6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5]H)(H){1|S<4>,3|H<1>,6|C<3>}	C[6a](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)2{1|S<4>,2|C<4>,3|C<3>,5|H<1>}	112.5820	0.000	1	112.5820	0.000	1	112.5820	0.000	1	112.5820	0.000	1	115.3068	3.693	132	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[6a]	4:3:4:3:	4:4:4:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5]2H)(C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]S)	C[5,5](C[5,5]C[6a]C[5]N[5])(C[5]C[5]HH)(C[5]N[5]HH)(H)	C[6a](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5]2H)(C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]S){3|C<3>,8|H<1>}	C[5,5](C[5,5]C[6a]C[5]N[5])(C[5]C[5]HH)(C[5]N[5]HH)(H){1|S<4>,3|C<3>,4|H<1>}	C[6a](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|S<4>,3|C<4>,5|H<1>}	110.5530	0.000	1	110.5530	0.000	1	110.5530	0.000	1	110.5530	0.000	1	115.3068	3.693	132	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[6a]	4:3:4:4:	4:4:3:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:C[5]-4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5]2H)(C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HH)	C[5,5](C[5,5]C[6a]C[5]2)(C[5]C[6a]C[5]H)(C[5]C[5]H)(H)	C[6a](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5]2H)(C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HH){5|C<3>,5|H<1>}	C[5,5](C[5,5]C[6a]C[5]2)(C[5]C[6a]C[5]H)(C[5]C[5]H)(H){2|C<2>,3|H<1>,6|C<3>}	C[6a](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]H)2{2|C<2>,2|C<4>,3|C<3>,5|H<1>}	117.1600	0.000	1	117.1600	0.000	1	117.1600	0.000	1	117.1600	0.000	1	115.3068	3.693	132	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[6a]	4:4:3:2:	4:3:3:1:	4:3:3:	C[3,5]-4:C[5,5]-4:C[6a]-3:O[5]-2:	C[5,5]-4:N[5]-3:C[5]-3:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[3,5]C[3]2C[5])(C[5,5]C[5]N[5]H)(C[6a]C[6a]2)(O[5]C[5])	C[5,5](C[5,5]C[3,5]C[6a]O[5])(N[5]C[6a]C[5])(C[5]C[5]H)(H)	C[6a](C[5,5]C[3,5]C[5,5]O[5])(C[6a]C[6a]H)2	C[5,5](C[3,5]C[3]2C[5])(C[5,5]C[5]N[5]H)(C[6a]C[6a]2)(O[5]C[5]){1|O<1>,3|C<3>,8|H<1>}	C[5,5](C[5,5]C[3,5]C[6a]O[5])(N[5]C[6a]C[5])(C[5]C[5]H)(H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[6a](C[5,5]C[3,5]C[5,5]O[5])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|H<1>,4|C<3>}	115.1920	0.000	1	115.1920	0.000	1	115.1920	0.000	1	113.6795	4.575	2	115.3068	3.693	132	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[6a]	4:4:3:2:	4:3:3:1:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:N[5]-2:	C[5,5]-4:C[5,6a]-3:N[5]-3:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(C[6a]C[6a]2)(N[5]C[5])	C[5,5](C[5,5]C[6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)	C[6a](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(C[6a]C[6a]2)(N[5]C[5]){2|H<1>,6|C<3>}	C[5,5](C[5,5]C[6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H){3|H<1>,7|C<3>}	C[6a](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,4|C<3>,5|H<1>}	112.1670	0.000	1	112.1670	0.000	1	112.1670	0.000	1	113.6795	4.575	2	115.3068	3.693	132	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[6a]	4:4:3:2:	4:3:3:3:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[5,6a]-3:C-3:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]2C)(C[5]C[5,6a]BrH)(C[6a]C[6a]2)(O[5]C[5,6a])	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])2(COO)	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5,6a]2C)(C[5]C[5,6a]BrH)(C[6a]C[6a]2)(O[5]C[5,6a]){2|H<1>,6|C<3>}	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])2(COO){1|Br<1>,3|H<1>,6|C<3>}	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2{1|Br<1>,3|H<1>,6|C<3>}	115.6810	0.000	1	115.6810	0.000	1	115.6810	0.000	1	115.6810	0.000	1	115.3068	3.693	132	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[6a]	4:4:3:2:	4:3:4:2:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[5]-4:O-2:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6a])	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(OH)	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6a]){1|N<3>,5|H<1>,6|C<3>}	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(OH){1|O<2>,3|H<1>,5|C<3>}	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2{1|O<2>,2|C<4>,3|H<1>,4|C<3>}	116.2780	0.000	1	116.2780	0.000	1	115.2145	2.262	2	115.2145	2.262	2	115.3068	3.693	132	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[6a]	4:4:3:2:	4:3:4:2:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[5]-4:O-2:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6a])	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(OH)	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6a]){1|O<2>,4|H<1>,7|C<3>}	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(OH){1|O<2>,2|H<1>,6|C<3>}	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2{1|O<2>,2|C<4>,3|H<1>,4|C<3>}	114.1510	0.000	1	114.1510	0.000	1	115.2145	2.262	2	115.2145	2.262	2	115.3068	3.693	132	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[6a]	4:4:3:2:	4:4:2:1:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:O[5]-2:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]ClH)(C[6a]C[6a]2)(O[5]C[5])	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[5]HN)(O[5]C[5])(H)	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]ClH)(C[6a]C[6a]2)(O[5]C[5]){1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[5]HN)(O[5]C[5])(H){1|Cl<1>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2{1|Cl<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	118.7470	0.000	1	118.7470	0.000	1	118.7470	0.000	1	118.7470	0.000	1	115.3068	3.693	132	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[6a]	4:4:3:3:	4:4:3:3:	4:3:3:	C[5,5]-4:P[5,5]-4:C[6a]-3:N[5]-3:	C[5,5]-4:P[5,5]-4:C[6a]-3:N[5]-3:	C[5,5]-4:C[6a,6a]-3:C[6a]-3:	C[5,5](C[5,5]P[5,5]C[6a]N[5])(P[5,5]C[5,6a]O[5]O)(C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]H)	C[5,5](C[5,5]P[5,5]C[6a]N[5])(P[5,5]C[5,6a]O[5]O)(C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]H)	C[6a](C[5,5]C[5,5]P[5,5]N[5])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,5]P[5,5]C[6a]N[5])(P[5,5]C[5,6a]O[5]O)(C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]H){1|O<1>,2|H<1>,9|C<3>}	C[5,5](C[5,5]P[5,5]C[6a]N[5])(P[5,5]C[5,6a]O[5]O)(C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]H){1|O<1>,2|H<1>,9|C<3>}	C[6a](C[5,5]C[5,5]P[5,5]N[5])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,1|P<4>,3|H<1>,6|C<3>}	113.9965	2.241	2	113.9965	5.021	2	113.9965	5.021	2	113.9965	5.021	2	115.3068	3.693	132	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[6a]	4:4:3:4:	4:2:3:1:	4:3:3:	C[5,5]-4:C[5,5]-4:C[6a]-3:C[5]-4:	C[5,5]-4:O[5]-2:N[5]-3:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,5]C[6a]C[5])(C[5,5]N[5]O[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,5](C[5,5]C[5,5]C[6a]C[5])(O[5]C[5,5])(N[5]C[5]C)(H)	C[6a](C[5,5]C[5,5]2C[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5,5]C[6a]C[5])(C[5,5]N[5]O[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|N<3>,2|C<4>,5|C<3>,6|H<1>}	C[5,5](C[5,5]C[5,5]C[6a]C[5])(O[5]C[5,5])(N[5]C[5]C)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6a](C[5,5]C[5,5]2C[5])(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	111.4650	0.870	5	111.4650	0.758	5	111.4650	0.758	5	111.4650	0.758	5	115.3068	3.693	132	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[6a]	4:4:3:4:	4:4:3:1:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:C[5]-4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,5](C[5,5]C[6a]C[5]2)(C[5]C[5]HH)(N[5]C[5]S)(H)	C[6a](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|S<4>,4|C<3>,8|H<1>}	C[5,5](C[5,5]C[6a]C[5]2)(C[5]C[5]HH)(N[5]C[5]S)(H){3|C<3>,7|H<1>}	C[6a](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,6|H<1>}	113.8560	0.000	1	113.8560	0.000	1	113.8560	0.000	1	113.8560	0.000	1	115.3068	3.693	132	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[6a]	4:4:3:4:	4:4:3:4:	4:3:3:	C[5,5]-4:C[5,5]-4:C[6a]-3:C[5]-4:	C[5,5]-4:C[5,5]-4:C[6a]-3:C[5]-4:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,5]C[6a]C[5])(C[5,5]N[5]O[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,5](C[5,5]C[5,5]C[6a]C[5])(C[5,5]N[5]O[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[5,5]C[5,5]2C[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5,5]C[6a]C[5])(C[5,5]N[5]O[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|N<3>,2|C<4>,5|C<3>,6|H<1>}	C[5,5](C[5,5]C[5,5]C[6a]C[5])(C[5,5]N[5]O[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|N<3>,2|C<4>,5|C<3>,6|H<1>}	C[6a](C[5,5]C[5,5]2C[5])(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	116.1778	0.229	5	116.1778	0.052	5	116.1778	0.052	5	116.1778	0.052	5	115.3068	3.693	132	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[6a]	4:3:3:3:	4:4:4:1:	4:3:3:	C[5,6]-4:N[5,5]-3:N[5]-3:C[6a]-3:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,6]C[5,6]C[6]H)(N[5,5]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6a]C[6a]2)	C[5,6](C[5,5]N[5,5]C[6a]N[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6a](C[5,5]C[5,6]N[5,5]N[5])(C[6a]C[6a]H)2	C[5,5](C[5,6]C[5,6]C[6]H)(N[5,5]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6a]C[6a]2){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	C[5,6](C[5,5]N[5,5]C[6a]N[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|C<3>,5|H<1>}	C[6a](C[5,5]C[5,6]N[5,5]N[5])(C[6a]C[6a]H)2{2|C<4>,4|C<3>,4|H<1>}	114.6180	0.000	1	114.6180	0.000	1	114.6180	0.000	1	114.6180	0.000	1	114.6180	0.000	1	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5]	C[6a]	3:3:2:4:	4:4:3:1:	4:3:3:	N[5,5]-3:C[6a]-3:S[5]-2:C[5]-4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](N[5,5]C[5,6a]C[5])(C[6a]C[6a]2)(S[5]C[5,6a])(C[5]C[5]CH)	C[5](C[5,5]N[5,5]C[6a]S[5])(C[5]C[5]HH)(CC[6a]O)(H)	C[6a](C[5,5]N[5,5]C[5]S[5])(C[6a]C[6a]H)2	C[5,5](N[5,5]C[5,6a]C[5])(C[6a]C[6a]2)(S[5]C[5,6a])(C[5]C[5]CH){5|C<3>,5|H<1>}	C[5](C[5,5]N[5,5]C[6a]S[5])(C[5]C[5]HH)(CC[6a]O)(H){1|H<1>,5|C<3>}	C[6a](C[5,5]N[5,5]C[5]S[5])(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	113.3875	1.127	4	113.3875	1.270	4	113.3875	1.270	4	113.3875	1.270	4	113.1379	3.085	71	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5]	C[6a]	3:3:3:4:	4:3:1:1:	4:3:3:	C[5]-3:C[5,5]-3:C[6a]-3:C[5]-4:	C[5,5]-4:C[5]-3:F-1:F-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]C[5]FF)	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5])(F)2	C[6a](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]H)2	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]C[5]FF){2|H<1>,8|C<3>}	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5])(F)2{8|C<3>}	C[6a](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]H)2{2|F<1>,2|H<1>,6|C<3>}	109.4570	0.000	1	109.4570	0.000	1	109.4570	0.000	1	109.4570	0.000	1	113.1379	3.085	71	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5]	C[6a]	3:3:3:4:	4:4:1:1:	4:3:3:	C[5,5]-3:C[5]-3:C[6a]-3:C[5]-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,5]N[5])(C[5]N[5,5]O)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5,5](C[5,5]C[5,5]N[5])(C[5]N[5,5]O)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	114.2590	0.986	2	114.2590	0.972	2	114.2590	0.972	2	114.1887	1.764	4	113.1379	3.085	71	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5]	C[6a]	3:3:3:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5,5]-3:C[5]-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5,5]C[5]2)(C[5]C[5]HH)	C[5](C[5,5]C[5,6a]N[5,5]C[6a])(C[5]C[5]CC)(H)2	C[6a](C[5,5]C[5,6a]N[5,5]C[5])(C[6a]C[6a]H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5,5]C[5]2)(C[5]C[5]HH){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]C[6a])(C[5]C[5]CC)(H)2{2|H<1>,5|C<3>}	C[6a](C[5,5]C[5,6a]N[5,5]C[5])(C[6a]C[6a]H)2{2|C<4>,4|C<3>,4|H<1>}	115.5850	0.000	1	115.5850	0.000	1	115.5850	0.000	1	114.1887	1.764	4	113.1379	3.085	71	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5]	C[6a]	3:3:3:4:	4:4:1:1:	4:3:3:	N[5,5]-3:N[5]-3:C[6a]-3:C[5]-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](N[5,5]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](C[5,5]N[5,5]C[6a]N[5])(C[5]C[5]HH)(H)2	C[6a](C[5,5]N[5,5]C[5]N[5])(C[6a]C[6a]H)2	C[5,5](N[5,5]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|O<1>,4|C<3>,4|H<1>}	C[5](C[5,5]N[5,5]C[6a]N[5])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,4|C<3>}	C[6a](C[5,5]N[5,5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,4|C<3>,5|H<1>}	112.6520	0.000	1	112.6520	0.000	1	112.6520	0.000	1	114.1887	1.764	4	113.1379	3.085	71	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5]	C[6a]	3:3:4:2:	4:2:1:1:	4:3:3:	C[5,5]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5]O[5])(C[6a]C[6a]2)(C[5]O[5]HH)(O[5]C[5])	C[5](C[5,5]C[5,5]C[6a]O[5])(O[5]C[5])(H)2	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5]O[5])(C[6a]C[6a]2)(C[5]O[5]HH)(O[5]C[5]){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[6a]O[5])(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|O<2>,4|H<1>}	112.1560	0.000	1	112.1560	0.000	1	112.1560	0.000	1	112.1560	0.000	1	113.1379	3.085	71	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5]	C[6a]	3:3:4:2:	4:3:4:4:	4:3:2:	C[6a]-3:C[5,5]-3:C[5]-4:N[5]-2:	C[5,5]-4:C[5]-3:C-4:C-4:	C[5,5]-4:C[6a]-3:N[6a]-2:	C[5,5](C[6a]C[6a]N[6a])(C[5,5]C[5]N[5])(C[5]C[5]CC)(N[5]N[5])	C[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CH3)2	C[6a](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[5,5](C[6a]C[6a]N[6a])(C[5,5]C[5]N[5])(C[5]C[5]CC)(N[5]N[5]){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CH3)2{2|N<2>,3|C<3>}	C[6a](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<4>,2|H<1>,3|C<3>}	113.8170	0.000	1	113.8170	0.000	1	113.8170	0.000	1	113.8170	0.000	1	113.1379	3.085	71	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5]	C[6a]	3:3:4:2:	4:3:4:4:	4:3:3:	C[5,5]-3:C[6a]-3:C[5]-4:N[5]-2:	C[5,5]-4:C[5]-3:C-4:C-4:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5])	C[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CH3)2	C[6a](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5]){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CH3)2{1|N<2>,4|C<3>}	C[6a](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<4>,2|H<1>,3|C<3>}	113.0160	0.000	1	113.0160	0.000	1	113.0160	0.000	1	113.0160	0.000	1	113.1379	3.085	71	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5]	C[6a]	3:3:4:2:	4:4:1:1:	4:3:2:	C[6a]-3:N[5,5]-3:C[5]-4:O[5]-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[6a]-3:N[6a]-2:	C[5,5](C[6a]C[6a]N[6a])(N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5])	C[5](C[5,5]N[5,5]C[6a]O[5])(C[5]C[5]HH)(H)2	C[6a](C[5,5]N[5,5]C[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[5,5](C[6a]C[6a]N[6a])(N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5]){1|O<1>,3|C<3>,6|H<1>}	C[5](C[5,5]N[5,5]C[6a]O[5])(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,1|O<1>,2|C<4>}	C[6a](C[5,5]N[5,5]C[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,3|H<1>,4|C<4>}	112.8035	0.651	4	112.8035	0.424	4	112.8035	0.424	4	112.8035	0.424	4	113.1379	3.085	71	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5]	C[6a]	3:3:4:2:	4:4:1:1:	4:3:3:	C[6a]-3:N[5,5]-3:C[5]-4:O[5]-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5])	C[5](C[5,5]N[5,5]C[6a]O[5])(C[5]C[5]HH)(H)2	C[6a](C[5,5]N[5,5]C[5]O[5])(C[6a]C[6a]H)2	C[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5]){1|O<1>,2|C<3>,8|H<1>}	C[5](C[5,5]N[5,5]C[6a]O[5])(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|C<4>}	C[6a](C[5,5]N[5,5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,3|C<4>,4|H<1>}	113.5880	0.000	1	113.2453	0.218	3	113.2453	0.218	3	113.2453	0.218	3	113.1379	3.085	71	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5]	C[6a]	3:3:4:2:	4:4:1:1:	4:3:3:	C[6a]-3:N[5,5]-3:C[5]-4:O[5]-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5])	C[5](C[5,5]N[5,5]C[6a]O[5])(C[5]C[5]HH)(H)2	C[6a](C[5,5]N[5,5]C[5]O[5])(C[6a]C[6a]H)2	C[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5]){1|O<1>,3|C<3>,7|H<1>}	C[5](C[5,5]N[5,5]C[6a]O[5])(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|C<4>}	C[6a](C[5,5]N[5,5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,3|H<1>,4|C<4>}	113.0740	0.511	2	113.2453	0.218	3	113.2453	0.218	3	113.2453	0.218	3	113.1379	3.085	71	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5]	C[6a]	3:3:4:2:	4:4:3:2:	4:3:3:	C[5,5]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5,5]-4:C[5]-4:C-3:C-2:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])	C[5](C[5,5]C[5,5]C[6a]O[5])(C[5]C[6a]C[5]H)(COO)(CN)	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5]){1|C<2>,1|N<3>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[6a]O[5])(C[5]C[6a]C[5]H)(COO)(CN){7|C<3>}	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2{1|C<2>,1|C<4>,1|H<1>,1|O<2>,5|C<3>}	113.4500	0.000	1	114.0645	0.755	2	114.0645	0.755	2	114.0645	0.755	2	113.1379	3.085	71	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5]	C[6a]	3:3:4:2:	4:4:3:2:	4:3:3:	C[5,5]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5,5]-4:C[5]-4:C-3:C-2:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])	C[5](C[5,5]C[5,5]C[6a]O[5])(C[5]C[6a]C[5]H)(COO)(CN)	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5]){1|C<2>,1|N<3>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[6a]O[5])(C[5]C[6a]C[5]H)(COO)(CN){7|C<3>}	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2{1|C<2>,1|C<4>,2|H<1>,5|C<3>}	114.6790	0.000	1	114.0645	0.755	2	114.0645	0.755	2	114.0645	0.755	2	113.1379	3.085	71	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5]	C[6a]	3:3:4:3:	4:3:1:1:	4:3:3:	N[5,5]-3:C[5,5]-3:C[5]-4:C[6a]-3:	C[5,5]-4:C[5,6a]-3:F-1:F-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](N[5,5]C[5,6a]C[5,5])(C[5,5]C[3x5]N[5])(C[5]C[5,6a]FF)(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]N[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(F)2	C[6a](C[5,5]C[5,5]N[5,5]C[5])(C[6a]C[6a]H)2	C[5,5](N[5,5]C[5,6a]C[5,5])(C[5,5]C[3x5]N[5])(C[5]C[5,6a]FF)(C[6a]C[6a]2){1|N<3>,2|C<4>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5,5]N[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(F)2{1|H<1>,1|N<2>,2|C<4>,4|C<3>}	C[6a](C[5,5]C[5,5]N[5,5]C[5])(C[6a]C[6a]H)2{1|N<2>,2|C<4>,2|F<1>,2|H<1>,3|C<3>}	113.3420	0.000	1	113.3420	0.000	1	111.9363	1.579	3	111.9363	1.579	3	113.1379	3.085	71	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5]	C[6a]	3:3:4:3:	4:3:1:1:	4:3:3:	N[5,5]-3:C[5,5]-3:C[5]-4:C[6a]-3:	C[5,5]-4:C[5,6a]-3:F-1:F-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](N[5,5]C[5,6a]C[5])(C[5,5]C[5,5]N[5])(C[5]C[5,6a]FF)(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]N[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(F)2	C[6a](C[5,5]C[5,5]N[5,5]C[5])(C[6a]C[6a]H)2	C[5,5](N[5,5]C[5,6a]C[5])(C[5,5]C[5,5]N[5])(C[5]C[5,6a]FF)(C[6a]C[6a]2){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,5]N[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(F)2{1|C<4>,1|H<1>,1|N<2>,5|C<3>}	C[6a](C[5,5]C[5,5]N[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|F<1>,2|H<1>,4|C<3>}	111.2335	0.441	2	111.2335	0.194	2	111.9363	1.579	3	111.9363	1.579	3	113.1379	3.085	71	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5]	C[6a]	3:3:4:3:	4:4:1:1:	4:3:3:	C[6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]N)	C[5](C[5,5]N[5,5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[6a](C[5,5]N[5,5]C[5]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]N){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,5]N[5,5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5,5]N[5,5]C[5]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|C<4>,4|H<1>}	116.6530	0.000	1	116.6530	0.000	1	114.5265	9.044	2	114.5265	9.044	2	113.1379	3.085	71	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5]	C[6a]	3:3:4:3:	4:4:1:1:	4:3:3:	C[6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5,5]N[5,5]C[6a]C[5])(C[5]C[5]HO)(H)2	C[6a](C[5,5]N[5,5]C[5]2)(C[6a]C[6a]H)2	C[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[5](C[5,5]N[5,5]C[6a]C[5])(C[5]C[5]HO)(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,5]N[5,5]C[5]2)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	112.4000	0.000	1	112.4000	0.000	1	114.5265	9.044	2	114.5265	9.044	2	113.1379	3.085	71	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5]	C[6a]	3:3:4:3:	4:4:4:1:	3:4:3:	C[6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C-4:H-1:	C[6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[6a]C[6a,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5,5]N[5,5]C[6a]C[5])(C[5]C[5]HH)(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5]N[5,5]C[5]2)(C[6a]C[6a]H)	C[5,5](C[6a]C[6a,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]CH)(C[5]N[5]O){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[5](C[5,5]N[5,5]C[6a]C[5])(C[5]C[5]HH)(CH3)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5]N[5,5]C[5]2)(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<4>,3|H<1>,4|C<3>}	114.1860	0.000	1	114.1860	0.000	1	114.1860	0.000	1	114.1860	0.000	1	113.1379	3.085	71	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5]	C[6a]	3:3:4:4:	4:3:1:1:	4:3:3:	C[5,5]-3:C[6a]-3:C[5]-4:C[5]-4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)2	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[5]H)(H)2	C[6a](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5,5](C[5,5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)2{1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[5]H)(H)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>,6|H<1>}	111.0620	0.000	1	111.0620	0.000	1	111.0620	0.000	1	112.5375	4.354	2	113.1379	3.085	71	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5]	C[6a]	3:3:4:4:	4:3:1:1:	4:3:3:	N[5,5]-3:C[6a]-3:C[5]-4:C[5]-4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](N[5,5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)2	C[5](C[5,5]N[5,5]C[6a]C[5])(C[5]C[5]C)(H)2	C[6a](C[5,5]N[5,5]C[5]2)(C[6a]C[6a]H)2	C[5,5](N[5,5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)2{1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5](C[5,5]N[5,5]C[6a]C[5])(C[5]C[5]C)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,5]N[5,5]C[5]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,6|H<1>}	114.0130	0.000	1	114.0130	0.000	1	114.0130	0.000	1	112.5375	4.354	2	113.1379	3.085	71	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5]	C[6a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[5,5]-3:C[6a]-3:C[5]-4:C[5]-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)2	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5,5](C[5,5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)2{1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]N[5]HH)(H)2{2|H<1>,4|C<3>}	C[6a](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>,6|H<1>}	111.6910	0.000	1	111.6910	0.000	1	111.6910	0.000	1	111.5955	0.018	2	113.1379	3.085	71	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5]	C[6a]	3:3:4:4:	4:4:1:1:	4:3:3:	N[5,5]-3:C[6a]-3:C[5]-4:C[5]-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](N[5,5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)2	C[5](C[5,5]N[5,5]C[6a]C[5])(C[5]N[5]HO)(H)2	C[6a](C[5,5]N[5,5]C[5]2)(C[6a]C[6a]H)2	C[5,5](N[5,5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)2{1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5](C[5,5]N[5,5]C[6a]C[5])(C[5]N[5]HO)(H)2{2|H<1>,5|C<3>}	C[6a](C[5,5]N[5,5]C[5]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,6|H<1>}	111.5000	0.000	1	111.5000	0.000	1	111.5000	0.000	1	111.5955	0.018	2	113.1379	3.085	71	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5]	C[6a]	3:4:3:2:	4:3:1:1:	4:3:3:	N[5,5]-3:C[5]-4:C[6a]-3:N[5]-2:	C[5,5]-4:C[5,6a]-3:H-1:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,5]N[5,5]C[6a]N[5])(C[5,6a]C[5,6a]C[6a])(H)2	C[6a](C[5,5]N[5,5]C[5]N[5])(C[6a]C[6a]H)2	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[6a]C[6a]2)(N[5]C[5]){4|H<1>,5|C<3>}	C[5](C[5,5]N[5,5]C[6a]N[5])(C[5,6a]C[5,6a]C[6a])(H)2{1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5,5]N[5,5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	110.1760	0.000	1	110.1760	0.000	1	110.1760	0.000	1	110.1760	0.000	1	113.1379	3.085	71	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5]	C[6a]	3:4:3:2:	4:3:3:1:	4:3:3:	C[5,5]-3:C[5]-4:C[6a]-3:O[5]-2:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6a])	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]O)(H)	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6a]){1|O<1>,1|O<2>,2|H<1>,6|C<3>}	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]O)(H){1|O<2>,2|H<1>,6|C<3>}	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2{3|H<1>,6|C<3>}	113.1180	0.000	2	113.9550	2.102	3	113.9550	2.102	3	113.9550	2.102	3	113.1379	3.085	71	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5]	C[6a]	3:4:3:2:	4:3:3:1:	4:3:3:	C[5,5]-3:C[5]-4:C[6a]-3:O[5]-2:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6a])	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]O)(H)	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6a]){1|O<1>,3|H<1>,6|C<3>}	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]O)(H){3|H<1>,6|C<3>}	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2{3|H<1>,6|C<3>}	115.6290	0.000	1	113.9550	2.102	3	113.9550	2.102	3	113.9550	2.102	3	113.1379	3.085	71	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5]	C[6a]	3:4:3:3:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:N[5,5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(N[5,5]C[5,6a]C[5])(C[6a]C[6a]2)	C[5](C[5,5]C[5,6a]N[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[5,5]C[5,6a]N[5,5]C[5])(C[6a]C[6a]H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(N[5,5]C[5,6a]C[5])(C[6a]C[6a]2){1|O<1>,3|H<1>,8|C<3>}	C[5](C[5,5]C[5,6a]N[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){3|H<1>,9|C<3>}	C[6a](C[5,5]C[5,6a]N[5,5]C[5])(C[6a]C[6a]H)2{3|H<1>,7|C<3>}	111.3980	0.000	1	111.3980	0.000	1	111.3980	0.000	1	111.3980	0.000	1	113.1379	3.085	71	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5]	C[6a]	3:4:3:3:	4:3:4:1:	4:3:3:	C[5,6a]-3:C[5]-4:N[5,5]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(N[5,5]C[5]S[5])(C[6a]C[6a]2)	C[5](C[5,5]C[5,6a]N[5,5]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5,5]C[5,6a]N[5,5]C[5])(C[6a]C[6a]H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(N[5,5]C[5]S[5])(C[6a]C[6a]2){3|O<1>,5|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]N[5,5]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,1|S<4>,2|H<1>,6|C<3>}	C[6a](C[5,5]C[5,6a]N[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|S<4>,3|H<1>,5|C<3>}	114.1430	0.267	2	114.1430	0.071	2	114.1430	0.071	2	114.1430	0.071	2	113.1379	3.085	71	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5]	C[6a]	3:4:3:3:	4:4:1:1:	4:3:3:	N[5,5]-3:C[5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](N[5,5]C[5,6]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]2)(C[5]N[5]O)	C[5](C[5,5]N[5,5]C[6a]C[5])(C[5,6]C[5,6]C[6]H)(H)2	C[6a](C[5,5]N[5,5]C[5]2)(C[6a]C[6a]H)2	C[5,5](N[5,5]C[5,6]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]2)(C[5]N[5]O){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,5]N[5,5]C[6a]C[5])(C[5,6]C[5,6]C[6]H)(H)2{1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,5]N[5,5]C[5]2)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	112.0830	0.000	1	112.0830	0.000	1	112.0830	0.000	1	112.0830	0.000	1	113.1379	3.085	71	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5]	C[6a]	3:4:3:4:	4:2:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:C[5]-4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[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[6a]C[6a]2)(C[5]O[5]HH)	C[5](C[5,5]C[5,6a]C[5,5]C[6a])(O[5]N[5])(H)2	C[6a](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[6a]C[6a]2)(C[5]O[5]HH){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C[6a])(O[5]N[5])(H)2{1|H<1>,2|C<4>,4|C<3>}	C[6a](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|O<2>,3|C<3>,4|H<1>}	111.3700	0.000	1	111.3700	0.000	1	111.3700	0.000	1	111.3700	0.000	1	113.1379	3.085	71	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5]	C[6a]	3:4:3:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:C[5]-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](C[5,5]C[5,6a]C[5,5]C[6a])(C[5]N[5]CH)(H)2	C[6a](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[6a]C[6a]2)(C[5]C[5]HH){4|H<1>,7|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[6a])(C[5]N[5]CH)(H)2{1|H<1>,1|N<3>,5|C<3>}	C[6a](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,2|N<3>,3|C<3>,5|H<1>}	112.2790	0.000	1	112.2790	0.000	1	113.8923	1.886	4	113.8923	1.886	4	113.1379	3.085	71	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5]	C[6a]	3:4:3:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:C[5]-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](C[5,5]C[5,6a]C[5,5]C[6a])(C[5]N[5]HH)(H)2	C[6a](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[6a]C[6a]2)(C[5]C[5]HH){5|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,5|C<3>}	C[6a](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,2|N<3>,3|C<3>,5|H<1>}	114.9820	0.000	1	114.9820	0.000	1	113.8923	1.886	4	113.8923	1.886	4	113.1379	3.085	71	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5]	C[6a]	3:4:3:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:C[5]-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](C[5,5]C[5,6a]C[5,5]C[6a])(C[5]O[5]HH)(H)2	C[6a](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]C)(C[6a]C[6a]2)(C[5]C[5]HH){4|C<3>,6|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C[6a])(C[5]O[5]HH)(H)2{1|C<4>,1|N<3>,4|C<3>}	C[6a](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	115.0840	0.000	1	115.0840	0.000	1	113.8923	1.886	4	113.8923	1.886	4	113.1379	3.085	71	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5]	C[6a]	3:4:3:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:C[5]-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[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[6a]C[6a]2)(C[5]C[5]HH)	C[5](C[5,5]C[5,6a]C[5,5]C[6a])(C[5]O[5]HH)(H)2	C[6a](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|O<2>,4|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[6a])(C[5]O[5]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|N<3>,3|C<3>,4|H<1>}	113.2240	0.000	1	113.2240	0.000	1	113.8923	1.886	4	113.8923	1.886	4	113.1379	3.085	71	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5]	C[6a]	3:4:4:2:	4:4:1:1:	4:3:2:	C[6a]-3:C[5,5]-4:C[5]-4:O[5]-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[6a]-3:N[6a]-2:	C[5,5](C[6a]C[6a]N[6a])(C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[5])	C[5](C[5,5]C[5,5]C[6a]O[5])(C[5]C[5]HH)(H)2	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[5,5](C[6a]C[6a]N[6a])(C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,5]C[5,5]C[6a]O[5])(C[5]C[5]HH)(H)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,3|C<4>,5|H<1>}	114.3210	0.000	1	114.3210	0.000	1	114.3210	0.000	1	114.3210	0.000	1	113.1379	3.085	71	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5]	C[6a]	4:3:3:3:	4:3:2:3:	4:3:3:	C[5]-4:N[5,5]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[6a]-3:N[5]-2:C-3:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5]C[6a]N[5]C)(N[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]O)	C[5](C[5,5]N[5,5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5])(COO)	C[6a](C[5,5]N[5,5]C[5]2)(C[6a]C[6a]H)2	C[5,5](C[5]C[6a]N[5]C)(N[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]O){1|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[5](C[5,5]N[5,5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5])(COO){1|N<3>,1|O<1>,1|S<4>,3|H<1>,4|C<3>}	C[6a](C[5,5]N[5,5]C[5]2)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,1|O<1>,1|S<4>,2|H<1>,4|C<3>}	114.6600	0.000	1	114.6600	0.000	1	114.6600	0.000	1	114.6600	0.000	1	113.1379	3.085	71	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5]	C[6a]	4:3:4:2:	4:2:1:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:O[5]-2:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5]O[5]H)(C[6a]C[6a]2)(C[5]O[5]HH)(O[5]C[5])	C[5](C[5,5]C[5,5]C[6a]O[5])(O[5]C[5])(H)2	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5]O[5]H)(C[6a]C[6a]2)(C[5]O[5]HH)(O[5]C[5]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[6a]O[5])(O[5]C[5])(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|O<2>,5|H<1>}	112.1210	0.000	1	112.1210	0.000	1	112.1210	0.000	1	112.1210	0.000	1	113.1379	3.085	71	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5]	C[6a]	4:3:4:2:	4:4:1:1:	4:3:2:	C[5,5,6]-4:C[6a]-3:C[5]-4:O[5]-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[6a]-3:N[6a]-2:	C[5,5](C[5,5,6]C[5,6]2H)(C[6a]C[6a]N[6a])(C[5]C[5]HH)(O[5]C[5])	C[5](C[5,5]C[5,5,6]C[6a]O[5])(C[5]C[5,6]HH)(H)2	C[6a](C[5,5]C[5,5,6]C[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[5,5](C[5,5,6]C[5,6]2H)(C[6a]C[6a]N[6a])(C[5]C[5]HH)(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,5]C[5,5,6]C[6a]O[5])(C[5]C[5,6]HH)(H)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,5]C[5,5,6]C[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,3|C<4>,5|H<1>}	112.5560	0.000	1	112.5560	0.000	1	112.9650	0.335	2	112.9650	0.335	2	113.1379	3.085	71	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5]	C[6a]	4:3:4:2:	4:4:1:1:	4:3:2:	C[5,5,6]-4:C[6a]-3:C[5]-4:O[5]-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[6a]-3:N[6a]-2:	C[5,5](C[5,5,6]C[6,6a]C[5,6]C[5])(C[6a]C[6a]N[6a])(C[5]C[5]HH)(O[5]C[5])	C[5](C[5,5]C[5,5,6]C[6a]O[5])(C[5]C[5,6]C[6a]H)(H)2	C[6a](C[5,5]C[5,5,6]C[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[5,5](C[5,5,6]C[6,6a]C[5,6]C[5])(C[6a]C[6a]N[6a])(C[5]C[5]HH)(O[5]C[5]){1|C<2>,1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5,5,6]C[6a]O[5])(C[5]C[5,6]C[6a]H)(H)2{1|C<4>,1|H<1>,1|N<2>,6|C<3>}	C[6a](C[5,5]C[5,5,6]C[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<4>,4|C<3>,4|H<1>}	113.3740	0.000	1	113.3740	0.000	1	112.9650	0.335	2	112.9650	0.335	2	113.1379	3.085	71	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5]	C[6a]	4:3:4:2:	4:4:2:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:N[5]-2:	C[5,5]-4:C[5]-4:C-2:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(C[5]C[5]CH)(N[5]N[5])	C[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]HH)(CN)(H)	C[6a](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(C[5]C[5]CH)(N[5]N[5]){4|H<1>,6|C<3>}	C[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]HH)(CN)(H){1|N<2>,1|N<3>,4|C<3>}	C[6a](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)2{1|C<2>,1|C<4>,1|N<2>,2|C<3>,2|N<3>,3|H<1>}	116.6680	0.000	1	116.6680	0.000	1	116.6680	0.000	1	116.6680	0.000	1	113.1379	3.085	71	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5]	C[6a]	4:3:4:2:	4:4:3:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:N[5]-2:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(C[5]C[5]CH)(N[5]N[5])	C[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]CH)(CC[6a]O)(H)	C[6a](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(C[5]C[5]CH)(N[5]N[5]){3|H<1>,7|C<3>}	C[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]CH)(CC[6a]O)(H){1|N<2>,1|N<3>,4|C<3>}	C[6a](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|N<3>,3|C<3>,3|H<1>}	112.3360	0.000	1	112.3360	0.000	1	112.3360	0.000	1	112.3360	0.000	1	113.1379	3.085	71	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5]	C[6a]	4:3:4:3:	4:3:1:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:N[5]-3:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5]2H)(C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]S)	C[5](C[5,5]C[5,5]C[6a]N[5])(N[5]C[6a]C[5])(H)2	C[6a](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5]2H)(C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]S){3|C<3>,8|H<1>}	C[5](C[5,5]C[5,5]C[6a]N[5])(N[5]C[6a]C[5])(H)2{1|S<4>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|S<4>,3|C<4>,5|H<1>}	113.7230	0.000	1	113.7230	0.000	1	113.7230	0.000	1	113.7230	0.000	1	113.1379	3.085	71	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5]	C[6a]	4:3:4:3:	4:4:1:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5]2H)(C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)	C[5](C[5,5]C[5,5]C[6a]N[5])(C[5]C[6a]C[5]H)(H)2	C[6a](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5]2H)(C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S){5|C<3>,5|H<1>}	C[5](C[5,5]C[5,5]C[6a]N[5])(C[5]C[6a]C[5]H)(H)2{1|S<4>,2|H<1>,7|C<3>}	C[6a](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)2{1|S<4>,2|C<4>,3|C<3>,5|H<1>}	116.5100	0.000	1	116.5100	0.000	1	116.5100	0.000	1	116.5100	0.000	1	113.1379	3.085	71	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5]	C[6a]	4:3:4:3:	4:4:2:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5]S[5]H)(C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]O)	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]S[5]HH)(OH)(H)	C[6a](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5]S[5]H)(C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]O){1|O<1>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]S[5]HH)(OH)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<3>,4|H<1>}	112.1083	2.898	3	112.1083	8.397	3	112.1083	8.397	3	112.1083	8.397	3	113.1379	3.085	71	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5]	C[6a]	4:3:4:4:	4:3:2:2:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:C[5]-4:	C[5,5]-4:C[5]-3:C-2:C-2:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5]2H)(C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HH)	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[5]C)(CN)2	C[6a](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5]2H)(C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HH){5|C<3>,5|H<1>}	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[5]C)(CN)2{2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]H)2{2|C<2>,2|C<4>,3|C<3>,5|H<1>}	112.6160	0.000	1	112.6160	0.000	1	112.6160	0.000	1	112.6160	0.000	1	113.1379	3.085	71	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5]	C[6a]	4:3:4:4:	4:4:1:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:C[5]-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5]2H)(C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HH)	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5]H)(H)2	C[6a](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5]2H)(C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HH){5|C<3>,5|H<1>}	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5]H)(H)2{2|C<2>,2|H<1>,7|C<3>}	C[6a](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]H)2{2|C<2>,2|C<4>,3|C<3>,5|H<1>}	111.0300	0.000	1	111.0300	0.000	1	111.0300	0.000	1	111.0300	0.000	1	113.1379	3.085	71	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5]	C[6a]	4:4:3:2:	4:3:1:1:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:N[5]-2:	C[5,5]-4:C[5,6a]-3:H-1:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,5]C[5,5]C[6a]N[5])(C[5,6a]C[5,6a]C[6a])(H)2	C[6a](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(C[6a]C[6a]2)(N[5]C[5]){2|H<1>,6|C<3>}	C[5](C[5,5]C[5,5]C[6a]N[5])(C[5,6a]C[5,6a]C[6a])(H)2{1|N<3>,2|H<1>,5|C<3>}	C[6a](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,4|C<3>,5|H<1>}	113.6160	0.000	1	113.6160	0.000	1	113.6160	0.000	1	114.4175	1.285	2	113.1379	3.085	71	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5]	C[6a]	4:4:3:2:	4:3:1:1:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:Br-1:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]2C)(C[5]C[5,6a]BrH)(C[6a]C[6a]2)(O[5]C[5,6a])	C[5](C[5,5]C[5,5]C[6a]O[5])(C[5,6a]C[5,6a]C[6a])(Br)(H)	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5,6a]2C)(C[5]C[5,6a]BrH)(C[6a]C[6a]2)(O[5]C[5,6a]){2|H<1>,6|C<3>}	C[5](C[5,5]C[5,5]C[6a]O[5])(C[5,6a]C[5,6a]C[6a])(Br)(H){1|H<1>,7|C<3>}	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2{1|Br<1>,3|H<1>,6|C<3>}	115.2190	0.000	1	115.2190	0.000	1	115.2190	0.000	1	114.4175	1.285	2	113.1379	3.085	71	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5]	C[6a]	4:4:3:2:	4:3:4:1:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:O[5]-2:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6a])	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6a]){1|O<2>,4|H<1>,7|C<3>}	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){2|O<2>,3|H<1>,6|C<3>}	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2{1|O<2>,2|C<4>,3|H<1>,4|C<3>}	116.6360	0.000	1	116.6360	0.000	1	115.1250	4.566	2	115.1250	4.566	2	113.1379	3.085	71	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5]	C[6a]	4:4:3:2:	4:3:4:1:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:O[5]-2:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6a])	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6a]){1|N<3>,5|H<1>,6|C<3>}	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<3>,1|O<2>,3|H<1>,6|C<3>}	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2{1|O<2>,2|C<4>,3|H<1>,4|C<3>}	113.6140	0.000	1	113.6140	0.000	1	115.1250	4.566	2	115.1250	4.566	2	113.1379	3.085	71	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5]	C[6a]	4:4:3:2:	4:4:1:1:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:O[5]-2:	C[5,5]-4:C[5]-4:Cl-1:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]ClH)(C[6a]C[6a]2)(O[5]C[5])	C[5](C[5,5]C[5,5]C[6a]O[5])(C[5]O[5]HH)(Cl)(H)	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]ClH)(C[6a]C[6a]2)(O[5]C[5]){1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[5](C[5,5]C[5,5]C[6a]O[5])(C[5]O[5]HH)(Cl)(H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2{1|Cl<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	117.3480	0.000	1	117.3480	0.000	1	117.3480	0.000	1	117.3480	0.000	1	113.1379	3.085	71	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5]	C[6a]	4:4:3:3:	4:3:2:1:	4:3:3:	C[3x5]-4:C[5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]O[5]O)	C[5](C[5,5]C[3x5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[6a](C[5,5]C[3x5]C[5]2)(C[6a]C[6a]H)2	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]O[5]O){1|N<3>,5|H<1>,6|C<3>}	C[5](C[5,5]C[3x5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5,5])(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[5,5]C[3x5]C[5]2)(C[6a]C[6a]H)2{1|O<1>,2|C<4>,2|O<2>,3|C<3>,3|H<1>}	114.2410	0.000	1	114.2410	0.000	1	114.2410	0.000	1	114.2410	0.000	1	113.1379	3.085	71	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5]	C[6a]	4:4:3:4:	4:3:4:1:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:C[5]-4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](C[5,5]C[5,5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|S<4>,4|C<3>,8|H<1>}	C[5](C[5,5]C[5,5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|S<4>,2|C<4>,4|C<3>,5|H<1>}	C[6a](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,6|H<1>}	111.6040	0.000	1	111.6040	0.000	1	111.6040	0.000	1	111.6040	0.000	1	113.1379	3.085	71	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5]	C[6a]	4:4:3:4:	4:4:1:1:	4:3:3:	C[5,5]-4:C[5,5]-4:C[6a]-3:C[5]-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,5]C[6a]C[5])(C[5,5]N[5]O[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](C[5,5]C[5,5]2C[6a])(C[5]C[6a]N[5]H)(H)2	C[6a](C[5,5]C[5,5]2C[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5,5]C[6a]C[5])(C[5,5]N[5]O[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|N<3>,2|C<4>,5|C<3>,6|H<1>}	C[5](C[5,5]C[5,5]2C[6a])(C[5]C[6a]N[5]H)(H)2{1|H<1>,1|O<2>,3|C<4>,5|C<3>}	C[6a](C[5,5]C[5,5]2C[5])(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	110.9196	0.490	5	110.9196	0.240	5	110.9196	0.240	5	111.3967	1.558	6	113.1379	3.085	71	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5]	C[5]	C[6a]	4:4:3:4:	4:4:1:1:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:C[5]-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[6a](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|S<4>,4|C<3>,8|H<1>}	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6a](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,6|H<1>}	113.7820	0.000	1	113.7820	0.000	1	113.7820	0.000	1	111.3967	1.558	6	113.1379	3.085	71	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,5x6]	C[5,4x6]	C[6a]	4:4:4:3:	4:4:3:3:	4:3:3:	C[5,4x6]-4:P[5,5,3x6]-4:C[5x6]-4:C[6a]-3:	C[5,5x6]-4:P[5,5,3x6]-4:C[6,6]-3:C[6a]-3:	C[5,5x6]-4:C[6a]-3:C[6a]-3:	C[5,5x6](C[5,4x6]P[5,5,3x6]C[6,6]C[6a])(P[5,5,3x6]C[5,4x6]O[5,5]O)(C[5x6]C[5x6]C[6,6]H)(C[6a]C[6a]2)	C[5,4x6](C[5,5x6]P[5,5,3x6]C[5x6]C[6a])(P[5,5,3x6]C[5,5x6]O[5,5]O)(C[6,6]C[6,6]H)(C[6a]C[6a]2)	C[6a](C[5,5x6]P[5,5,3x6]C[5,4x6]C[5x6])(C[6a]C[6a]H)2	C[5,5x6](C[5,4x6]P[5,5,3x6]C[6,6]C[6a])(P[5,5,3x6]C[5,4x6]O[5,5]O)(C[5x6]C[5x6]C[6,6]H)(C[6a]C[6a]2){1|C<4>,1|O<1>,4|H<1>,8|C<3>}	C[5,4x6](C[5,5x6]P[5,5,3x6]C[5x6]C[6a])(P[5,5,3x6]C[5,5x6]O[5,5]O)(C[6,6]C[6,6]H)(C[6a]C[6a]2){1|O<1>,2|C<4>,3|H<1>,7|C<3>}	C[6a](C[5,5x6]P[5,5,3x6]C[5,4x6]C[5x6])(C[6a]C[6a]H)2{1|O<1>,1|O<2>,1|P<4>,2|C<4>,3|H<1>,4|C<3>}	115.0828	1.874	4	115.0828	3.510	4	115.0828	3.510	4	115.0828	3.510	4	115.0828	3.510	4	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6,6]	C[3x5,6,6]	C[6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[3x5,6,6]-4:C[5,3x6]-4:C[6a]-3:H-1:	C[4,3x5]-4:C[5,5,3x6]-4:C[5,6,6]-4:H-1:	C[5,6,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6](C[3x5,6,6]C[5,5,3x6]C[4,3x5]H)(C[5,3x6]C[4,5,5,6,6]C[6,6]H)(C[6a]C[6a]2)(H)	C[3x5,6,6](C[4,3x5]C[4,5,5,6,6]O[4,5]C[6a])(C[5,5,3x6]C[4,5,5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[6a]H)(H)	C[6a](C[5,6,6]C[3x5,6,6]C[5,3x6]H)(C[6a]C[6a]H)2	C[5,6,6](C[3x5,6,6]C[5,5,3x6]C[4,3x5]H)(C[5,3x6]C[4,5,5,6,6]C[6,6]H)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[3x5,6,6](C[4,3x5]C[4,5,5,6,6]O[4,5]C[6a])(C[5,5,3x6]C[4,5,5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[6a]H)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[5,6,6]C[3x5,6,6]C[5,3x6]H)(C[6a]C[6a]H)2{1|C<3>,4|C<4>,4|H<1>}	119.7980	0.000	1	119.7980	0.000	1	119.7980	0.000	1	119.7980	0.000	1	119.7980	0.000	1	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6,6]	C[5,3x6]	C[6a]	4:2:3:2:	4:4:4:1:	4:3:3:	C[5,3x6]-4:O[6,6]-2:C[6a]-3:O[5]-2:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(C[6a]C[6a]2)(O[5]O[5])	C[5,3x6](C[5,6,6]O[6,6]C[6a]O[5])(C[5,6,6]O[6,6]O[5]C)(C[6,6]C[6,6]HH)(H)	C[6a](C[5,6,6]C[5,3x6]O[6,6]O[5])(C[6a]C[6a]H)2	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(C[6a]C[6a]2)(O[5]O[5]){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,3x6](C[5,6,6]O[6,6]C[6a]O[5])(C[5,6,6]O[6,6]O[5]C)(C[6,6]C[6,6]HH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6,6]C[5,3x6]O[6,6]O[5])(C[6a]C[6a]H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	116.5110	0.000	1	116.5110	0.000	1	116.5110	0.000	1	116.5110	0.000	1	114.2082	16.886	4	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6,6]	C[5,3x6]	C[6a]	4:3:2:3:	4:4:3:1:	4:3:3:	C[5,3x6]-4:C[5]-3:O[6,6]-2:C[6a]-3:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5]C[6a]C[5])(O[6,6]C[3x6])(C[6a]C[6a]2)	C[5,3x6](C[5,6,6]C[6,6]C[6a]C[5])(C[5,6,6]O[6,6]C[6a]C[5])(C[6,6]C[6,6]C[6a])(H)	C[6a](C[5,6,6]C[5,3x6]O[6,6]C[5])(C[6a]C[6a]H)2	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5]C[6a]C[5])(O[6,6]C[3x6])(C[6a]C[6a]2){1|C<4>,2|H<1>,9|C<3>}	C[5,3x6](C[5,6,6]C[6,6]C[6a]C[5])(C[5,6,6]O[6,6]C[6a]C[5])(C[6,6]C[6,6]C[6a])(H){10|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6,6]C[5,3x6]O[6,6]C[5])(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	115.8200	0.000	1	115.8200	0.000	1	115.8200	0.000	1	115.8200	0.000	1	114.2082	16.886	4	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6,6]	C[5,3x6]	C[6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[3x5,6,6]-4:C[5,3x6]-4:C[6a]-3:H-1:	C[4,5,5,6,6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6](C[3x5,6,6]C[5,5,3x6]C[4,3x5]H)(C[5,3x6]C[4,5,5,6,6]C[6,6]H)(C[6a]C[6a]2)(H)	C[5,3x6](C[4,5,5,6,6]C[4,5,5,6,6]C[4,3x5]H)(C[5,6,6]C[3x5,6,6]C[6a]H)(C[6,6]C[6,6]HH)(H)	C[6a](C[5,6,6]C[3x5,6,6]C[5,3x6]H)(C[6a]C[6a]H)2	C[5,6,6](C[3x5,6,6]C[5,5,3x6]C[4,3x5]H)(C[5,3x6]C[4,5,5,6,6]C[6,6]H)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[5,3x6](C[4,5,5,6,6]C[4,5,5,6,6]C[4,3x5]H)(C[5,6,6]C[3x5,6,6]C[6a]H)(C[6,6]C[6,6]HH)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[5,6,6]C[3x5,6,6]C[5,3x6]H)(C[6a]C[6a]H)2{1|C<3>,4|C<4>,4|H<1>}	116.4400	0.000	1	116.4400	0.000	1	116.4400	0.000	1	116.4400	0.000	1	114.2082	16.886	4	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6,6]	C[5,3x6]	C[6a]	4:4:3:3:	4:4:3:1:	4:3:3:	C[5,3x6]-4:C[6,6]-4:C[5]-3:C[6a]-3:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,3x6](C[5,6,6]C[6,6]C[6a]C[5])(C[5,6,6]O[6,6]C[6a]C[5])(C[6,6]C[6,6]C[6a])(H)	C[6a](C[5,6,6]C[5,3x6]C[6,6]C[5])(C[6a]C[6a]H)2	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<2>,2|H<1>,9|C<3>}	C[5,3x6](C[5,6,6]C[6,6]C[6a]C[5])(C[5,6,6]O[6,6]C[6a]C[5])(C[6,6]C[6,6]C[6a])(H){10|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6,6]C[5,3x6]C[6,6]C[5])(C[6a]C[6a]H)2{2|C<4>,4|H<1>,5|C<3>}	108.0620	0.000	1	108.0620	0.000	1	108.0620	0.000	1	108.0620	0.000	1	114.2082	16.886	4	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6,6]	C[5,5,6,6]	C[6a]	4:4:3:2:	4:4:2:2:	4:3:3:	C[4,5,6,6]-4:C[5,5,6,6]-4:C[6a]-3:O-2:	C[5,6,6]-4:C[5,6,6]-4:O[5,5]-2:O-2:	C[5,6,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6](C[4,5,6,6]C[4,5,5,6]O[4,6]H)(C[5,5,6,6]C[5,6,6]O[5,5]O)(C[6a]C[6a]2)(OH)	C[5,5,6,6](C[5,6,6]C[4,5,6,6]C[6a]O)(C[5,6,6]C[4,5,6,6]HO)(O[5,5]C[4,5,5,6])(OC)	C[6a](C[5,6,6]C[4,5,6,6]C[5,5,6,6]O)(C[6a]C[6a]H)2	C[5,6,6](C[4,5,6,6]C[4,5,5,6]O[4,6]H)(C[5,5,6,6]C[5,6,6]O[5,5]O)(C[6a]C[6a]2)(OH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5,5,6,6](C[5,6,6]C[4,5,6,6]C[6a]O)(C[5,6,6]C[4,5,6,6]HO)(O[5,5]C[4,5,5,6])(OC){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5,6,6]C[4,5,6,6]C[5,5,6,6]O)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,3|H<1>,3|O<2>}	117.6570	0.000	1	117.6570	0.000	1	117.6570	0.000	1	117.6570	0.000	1	117.6570	0.000	1	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6,6]	C[5,5,6]	C[6,6a]	4:3:2:3:	4:3:2:1:	4:3:3:	C[5,5,6]-4:C[6,6a]-3:O[5,6]-2:C[6]-3:	C[5,6,6]-4:C[5,6]-3:O[5,5]-2:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(C[6,6a]C[6,6a]C[6a])(O[5,6]C[3x5,6])(C[6]C[6]C)	C[5,5,6](C[5,6,6]C[6,6a]O[5,6]C[6])(C[5,6]C[5,5,6]O)(O[5,5]C[3x5,6])(H)	C[6,6a](C[5,6,6]C[5,5,6]O[5,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(C[6,6a]C[6,6a]C[6a])(O[5,6]C[3x5,6])(C[6]C[6]C){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[5,6,6]C[6,6a]O[5,6]C[6])(C[5,6]C[5,5,6]O)(O[5,5]C[3x5,6])(H){3|C<3>,4|C<4>}	C[6,6a](C[5,6,6]C[5,5,6]O[5,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	110.9610	0.000	1	110.9610	0.000	1	110.9610	0.000	1	110.9610	0.000	1	111.8604	9.206	14	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6,6]	C[5,5,6]	C[6,6a]	4:3:4:1:	4:4:4:1:	4:3:3:	C[5,6,6]-4:C[6,6a]-3:C[5,5,6]-4:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6a,6a]-3:C[6,6a]-3:	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[6,6a]C[6a,6a]C[6,6a])(C[5,5,6]C[5,5]C[5,6]H)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[6,6a]C[6a,6a]C[6,6a])(C[5,5,6]C[5,5]C[5,6]H)(H){1|C<4>,5|C<3>,5|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<3>,4|H<1>}	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|N<3>,1|O<1>,3|C<4>,3|H<1>,4|C<3>}	106.8750	0.000	1	106.8750	0.000	1	106.8750	0.000	1	106.8750	0.000	1	111.8604	9.206	14	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6,6]	C[5,5,6]	C[6,6a]	4:3:4:2:	4:4:4:4:	4:3:3:	C[5,5,6]-4:C[6,6a]-3:C[5,6]-4:O[6]-2:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]CC)(O[6]P[6])	C[5,5,6](C[5,6,6]C[6,6a]C[5,6]O[6])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(CH3)	C[6,6a](C[5,6,6]C[5,5,6]C[5,6]O[6])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]CC)(O[6]P[6]){1|N<3>,1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[5,5,6](C[5,6,6]C[6,6a]C[5,6]O[6])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(CH3){1|P<4>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[5,6,6]C[5,5,6]C[5,6]O[6])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H){1|P<4>,2|H<1>,3|C<3>,6|C<4>}	115.4420	0.000	1	115.4420	0.000	1	115.4420	0.000	1	115.4420	0.000	1	111.8604	9.206	14	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6,6]	C[5,5,6]	C[6,6a]	4:4:3:1:	4:3:2:1:	4:3:3:	C[5,5,6]-4:C[5,6,6]-4:C[6,6a]-3:H-1:	C[5,6,6]-4:C[5,6,6a]-3:O[5,5]-2:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]N[6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(H)	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]N[6]H)(C[6,6a]C[6,6a]C[6a])(H){3|H<1>,5|C<3>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(H){1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	110.2110	0.000	1	110.2110	0.000	1	110.2110	0.000	1	110.2110	0.000	1	111.8604	9.206	14	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6,6]	C[5,5,6]	C[6,6a]	4:4:3:1:	4:3:4:1:	4:3:3:	C[5,5,6]-4:C[5,6,6]-4:C[6,6a]-3:H-1:	C[5,6,6]-4:N[5,5]-3:C[5,6]-4:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6,6]C[5,5,6]O[6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(N[5,5]C[5,5,6]C)(C[5,6]C[5,6]CH)(H)	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[5,6,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6,6]C[5,5,6]O[6]H)(C[6,6a]C[6,6a]C[6a])(H){3|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(N[5,5]C[5,5,6]C)(C[5,6]C[5,6]CH)(H){1|O<2>,2|C<3>,4|H<1>}	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	114.9150	0.000	1	114.9150	0.000	1	114.9150	0.000	1	114.9150	0.000	1	111.8604	9.206	14	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6,6]	C[5,5,6]	C[6,6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6]-4:C[6,6a]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]N[6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]N[6]H)(C[6,6a]C[6,6a]C[6a])(H){4|C<3>,6|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	114.7500	0.000	1	114.7500	0.000	1	114.7500	0.000	1	110.3164	6.171	5	111.8604	9.206	14	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6,6]	C[5,5,6]	C[6,6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,6,6]-4:C[5,5,6]-4:C[6,6a]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:Cl-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,5,6]C[5,5]C[5,6]Cl)(C[6,6a]C[6,6a]C[6a])(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(C[5,5]C[5,5,6]Cl2)(C[5,6]C[5,6]Cl)(Cl)	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,5,6]C[5,5]C[5,6]Cl)(C[6,6a]C[6,6a]C[6a])(H){4|Cl<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(C[5,5]C[5,5,6]Cl2)(C[5,6]C[5,6]Cl)(Cl){2|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H){1|Cl<1>,2|C<3>,4|C<4>,4|H<1>}	109.2080	0.193	4	109.2080	0.037	4	109.2080	0.037	4	110.3164	6.171	5	111.8604	9.206	14	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6,6]	C[5,5,6]	C[6,6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[5,5,6]-4:C[5,6,6]-4:C[6,6a]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|N<3>,3|C<3>,7|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<3>,4|C<4>,4|H<1>}	116.1370	0.000	1	116.1370	0.000	1	113.6515	12.355	2	114.0147	4.656	4	111.8604	9.206	14	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6,6]	C[5,5,6]	C[6,6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[5,5,6]-4:C[5,6,6]-4:C[6,6a]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|O<2>,3|C<3>,7|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,4|C<4>,4|H<1>}	111.1660	0.000	1	111.1660	0.000	1	113.6515	12.355	2	114.0147	4.656	4	111.8604	9.206	14	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6,6]	C[5,5,6]	C[6,6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[5,6,6]-4:C[5,5,6]-4:C[6,6a]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]C)	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(H){2|C<4>,4|C<3>,5|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<3>,4|H<1>}	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]C){3|C<3>,3|C<4>,4|H<1>}	113.6420	0.000	1	113.6420	0.000	1	114.3780	1.083	2	114.0147	4.656	4	111.8604	9.206	14	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6,6]	C[5,5,6]	C[6,6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[5,6,6]-4:C[5,5,6]-4:C[6,6a]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6](C[5,6,6]C[5,5,6]Si[6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6,6](C[5,6,6]C[5,5,6]Si[6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(H){2|C<4>,4|C<3>,6|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|Si<4>,2|C<3>,4|H<1>}	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Si<4>,1|C<3>,3|C<4>,6|H<1>}	115.1140	0.000	1	115.1140	0.000	1	114.3780	1.083	2	114.0147	4.656	4	111.8604	9.206	14	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[6,6a]	4:3:4:4:	4:3:4:1:	4:3:3:	C[5,6,6]-4:C[6,6a]-3:C[6,6]-4:C[5]-4:	C[5,6,6]-4:N[5,6]-3:C[6,6]-4: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]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[5]C[5]HH)	C[5,6,6](C[5,6,6]C[6,6a]C[6,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H)	C[6,6a](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6,6a]C[5,6a]N[6])(C[6a]C[6a]H)	C[5,6,6](C[5,6,6]C[6,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[5]C[5]HH){1|N<3>,1|O<2>,2|C<4>,5|C<3>,5|H<1>}	C[5,6,6](C[5,6,6]C[6,6a]C[6,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H){10|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6,6a]C[5,6a]N[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,4|C<4>,5|H<1>}	111.7330	0.000	1	111.7330	0.000	1	111.7330	0.000	1	111.7330	0.000	1	111.7330	0.000	1	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[6a]	3:3:4:3:	3:3:4:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C[6a]-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:C[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]2C)(C[6a]C[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]2C[6a])(CSiHH)	C[6a](C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]H)(C[6a]C[6a]O)	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)(C[6a]C[6a]2){10|C<3>,1|H<1>,1|O<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]2C[6a])(CSiHH){10|C<3>}	C[6a](C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,7|C<3>}	112.3090	0.000	1	112.3090	0.000	1	112.3090	0.000	1	112.3090	0.000	1	112.5245	0.093	2	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[6a]	4:4:2:3:	4:4:3:3:	4:3:3:	C[5,6,6]-4:C[5,6]-4:O[5,6]-2:C[6a]-3:	C[5,5,6,6]-4:C[5,6,6]-4:C[5,6a]-3:C[5]-3:	C[5,6,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5,6a]C[5])(C[5,6]C[5,5,6]HH)(O[5,6]C[5,5,6])(C[6a]C[6a]2)	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6a]O[5,6])(C[5,6,6]C[5,6]O[5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)	C[6a](C[5,6,6]C[5,6,6]C[5,6]O[5,6])(C[6a]C[6a]H)2	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5,6a]C[5])(C[5,6]C[5,5,6]HH)(O[5,6]C[5,5,6])(C[6a]C[6a]2){1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,6|C<3>}	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6a]O[5,6])(C[5,6,6]C[5,6]O[5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O){2|C<4>,5|H<1>,7|C<3>}	C[6a](C[5,6,6]C[5,6,6]C[5,6]O[5,6])(C[6a]C[6a]H)2{3|C<3>,3|C<4>,4|H<1>}	112.7400	0.000	1	112.7400	0.000	1	112.7400	0.000	1	112.7400	0.000	1	112.5245	0.093	2	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6,6]	C[5,6]	C[6,6,6a]	4:3:4:4:	4:4:3:1:	4:3:3:	C[5,6]-4:C[6,6,6a]-3:C[5,6]-4:C[6]-4:	C[5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[5,6,6](C[5,6]C[5,6]C[6]H)(C[6,6,6a]C[6,6a]2)(C[5,6]C[5,6]HO)(C[6]O[6]HH)	C[5,6](C[5,6,6]C[6,6,6a]C[5,6]C[6])(C[5,6]C[6,6a]C[5,6]O)(C[6]C[6,6a]O)(H)	C[6,6,6a](C[5,6,6]C[5,6]2C[6])(C[6,6a]C[6a]C[6])2	C[5,6,6](C[5,6]C[5,6]C[6]H)(C[6,6,6a]C[6,6a]2)(C[5,6]C[5,6]HO)(C[6]O[6]HH){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	C[5,6](C[5,6,6]C[6,6,6a]C[5,6]C[6])(C[5,6]C[6,6a]C[5,6]O)(C[6]C[6,6a]O)(H){2|O<2>,4|H<1>,6|C<3>}	C[6,6,6a](C[5,6,6]C[5,6]2C[6])(C[6,6a]C[6a]C[6])2{2|C<3>,2|O<1>,3|C<4>,3|O<2>,4|H<1>}	110.7760	0.757	2	110.7760	0.572	2	110.7760	0.572	2	110.7760	0.572	2	110.7760	0.572	2	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6,6]	C[5,6]	C[6,6a]	3:4:3:3:	4:4:3:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5,6]-3:C[6]-3:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(C[5]C[5]O)(H)	C[6,6a](C[5,6,6]C[5,6]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,7|H<1>}	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(C[5]C[5]O)(H){1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[5,6,6]C[5,6]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,5|C<3>,5|H<1>}	113.9950	0.000	1	113.9950	0.000	1	113.9950	0.000	1	113.9950	0.000	1	113.6250	9.488	25	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6,6]	C[5,6]	C[6,6a]	3:4:3:3:	4:4:4:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:N[5,6,6]-3:C[5]-3:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5,6,6]C[5,6]2)(C[5]C[5]H)	C[5,6](C[5,6,6]N[5,6,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6,6a](C[5,6,6]N[5,6,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5,6,6]C[5,6]2)(C[5]C[5]H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[5,6](C[5,6,6]N[5,6,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[5,6,6]N[5,6,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	116.8110	0.000	1	116.8110	0.000	1	116.8110	0.000	1	116.8110	0.000	1	113.6250	9.488	25	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6,6]	C[5,6]	C[6,6a]	3:4:3:4:	4:4:3:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:N[5,6]-3:C[6]-4:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)	C[5,6](C[5,6,6]C[6,6a]N[5,6]C[6])(C[5]C[5]CH)(C[6]C[6]H)(H)	C[6,6a](C[5,6,6]C[5,6]N[5,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,4|C<3>,7|H<1>}	C[5,6](C[5,6,6]C[6,6a]N[5,6]C[6])(C[5]C[5]CH)(C[6]C[6]H)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[5,6,6]C[5,6]N[5,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,6|H<1>}	112.9200	0.000	1	112.9200	0.000	1	112.8250	0.018	2	112.8250	0.018	2	113.6250	9.488	25	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6,6]	C[5,6]	C[6,6a]	3:4:3:4:	4:4:3:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:N[5,6]-3:C[6]-4:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)	C[5,6](C[5,6,6]C[6,6a]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]O)(H)	C[6,6a](C[5,6,6]C[5,6]N[5,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH){2|C<3>,2|C<4>,2|O<1>,7|H<1>}	C[5,6](C[5,6,6]C[6,6a]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]O)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[5,6,6]C[5,6]N[5,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,6|H<1>}	112.7300	0.000	1	112.7300	0.000	1	112.8250	0.018	2	112.8250	0.018	2	113.6250	9.488	25	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6,6]	C[5,6]	C[6,6a]	3:4:3:4:	4:4:4:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:N[5,6]-3:C[6]-4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)	C[5,6](C[5,6,6]C[6,6a]N[5,6]C[6])(C[5]C[6a]C[5]O)(C[6]C[6]HH)(H)	C[6,6a](C[5,6,6]C[5,6]N[5,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<4>,3|C<3>,7|H<1>}	C[5,6](C[5,6,6]C[6,6a]N[5,6]C[6])(C[5]C[6a]C[5]O)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[5,6,6]C[5,6]N[5,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,4|C<4>,6|H<1>}	114.6150	0.000	1	114.6150	0.000	1	114.6150	0.000	1	113.1060	1.136	4	113.6250	9.488	25	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6,6]	C[5,6]	C[6,6a]	3:4:3:4:	4:4:4:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:N[5,6]-3:C[6]-4:	C[5,6,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)	C[5,6](C[5,6,6]C[6,6a]N[5,6]C[6])(C[6]C[6]SiH)(C[5]C[5]HH)(H)	C[6,6a](C[5,6,6]C[5,6]N[5,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH){1|Si<4>,1|O<1>,2|C<3>,2|C<4>,8|H<1>}	C[5,6](C[5,6,6]C[6,6a]N[5,6]C[6])(C[6]C[6]SiH)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[5,6,6]C[5,6]N[5,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,4|C<4>,6|H<1>}	112.7900	0.403	2	112.7900	0.162	2	112.7900	0.162	2	113.1060	1.136	4	113.6250	9.488	25	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6,6]	C[5,6]	C[6,6a]	3:4:3:4:	4:4:4:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:N[6,6]-3:C[5]-4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[6,6]C[6]2)(C[5]C[5]HH)	C[5,6](C[5,6,6]C[6,6a]N[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6,6a](C[5,6,6]C[5,6]N[6,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[6,6]C[6]2)(C[5]C[5]HH){1|O<1>,2|C<3>,3|C<4>,8|H<1>}	C[5,6](C[5,6,6]C[6,6a]N[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,6|H<1>}	C[6,6a](C[5,6,6]C[5,6]N[6,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,4|C<4>,6|H<1>}	112.2290	0.000	1	112.2290	0.000	1	112.2290	0.000	1	113.1060	1.136	4	113.6250	9.488	25	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6,6]	C[5,6]	C[6,6a]	3:4:4:2:	4:4:1:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[6,6]-4:O[5]-2:	C[5,6,6]-4:C[5,6]-4:Cl-1:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]ClH)(C[6,6]C[6]2H)(O[5]O[5])	C[5,6](C[5,6,6]C[6,6a]C[6,6]O[5])(C[5,6]C[6]O[5]C)(Cl)(H)	C[6,6a](C[5,6,6]C[5,6]C[6,6]O[5])(C[6,6a]C[6a,6a]O[6])(C[6a]N[6a]O)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]ClH)(C[6,6]C[6]2H)(O[5]O[5]){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[6,6a]C[6,6]O[5])(C[5,6]C[6]O[5]C)(Cl)(H){2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[5,6,6]C[5,6]C[6,6]O[5])(C[6,6a]C[6a,6a]O[6])(C[6a]N[6a]O){1|Cl<1>,1|O<2>,2|C<3>,2|H<1>,4|C<4>}	117.4420	0.376	2	117.4420	0.142	2	117.4420	0.142	2	117.4420	0.142	2	113.6250	9.488	25	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6,6]	C[5,6]	C[6,6a]	3:4:4:3:	4:4:3:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:C[6]-3:	C[5,6,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(C[5,6]C[6]N[5]H)(C[6]C[6]H)	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(N[5]C[5]C)(H)	C[6,6a](C[5,6,6]C[5,6]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(C[5,6]C[6]N[5]H)(C[6]C[6]H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(N[5]C[5]C)(H){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[6,6a](C[5,6,6]C[5,6]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<4>,1|O<2>,2|N<3>,3|C<3>,6|H<1>}	110.0140	0.000	1	110.0140	0.000	1	111.9197	2.728	3	111.9197	2.728	3	113.6250	9.488	25	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6,6]	C[5,6]	C[6,6a]	3:4:4:3:	4:4:3:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:C[6]-3:	C[5,6,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]O)(C[5,6]C[6]N[5]H)(C[6]C[6]H)	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(N[5]C[5]C)(H)	C[6,6a](C[5,6,6]C[5,6]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]O)(C[5,6]C[6]N[5]H)(C[6]C[6]H){2|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(N[5]C[5]C)(H){3|C<3>,3|O<2>,4|H<1>}	C[6,6a](C[5,6,6]C[5,6]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|N<3>,2|C<3>,2|C<4>,3|O<2>,5|H<1>}	112.8725	0.091	2	112.8725	0.008	2	111.9197	2.728	3	111.9197	2.728	3	113.6250	9.488	25	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6,6]	C[5,6]	C[6,6a]	3:4:4:3:	4:4:4:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:C[6]-3:	C[5,6,6]-4:C[6]-4:N[5]-4:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]O)(C[5,6]C[6]N[5]H)(C[6]C[6]H)	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(N[5]C[5]CH)(H)	C[6,6a](C[5,6,6]C[5,6]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]O)(C[5,6]C[6]N[5]H)(C[6]C[6]H){2|C<3>,3|C<4>,7|H<1>}	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(N[5]C[5]CH)(H){3|C<3>,3|O<2>,4|H<1>}	C[6,6a](C[5,6,6]C[5,6]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|N<4>,2|C<3>,2|C<4>,3|O<2>,5|H<1>}	110.9730	0.000	1	110.9730	0.000	1	110.9730	0.000	1	111.0500	0.012	2	113.6250	9.488	25	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6,6]	C[5,6]	C[6,6a]	3:4:4:3:	4:4:4:1:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[5,6]-4:N[5]-3:	C[5,6,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(N[5]C[5]C)	C[5,6](C[5,6,6]C[6,6a]C[6,6]N[5])(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[6,6a](C[5,6,6]C[5,6]C[6,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(N[5]C[5]C){1|C<4>,1|O<1>,4|C<3>,7|H<1>}	C[5,6](C[5,6,6]C[6,6a]C[6,6]N[5])(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[6,6a](C[5,6,6]C[5,6]C[6,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|C<3>,4|C<4>,6|H<1>}	111.1270	0.000	1	111.1270	0.000	1	111.1270	0.000	1	111.0500	0.012	2	113.6250	9.488	25	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6,6]	C[5,6]	C[6,6a]	3:4:4:4:	4:3:3:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6]-4:S[5]-3:C[6]-3:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]S[5]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(S[5]C[5,6]O)(C[6]C[6]O)(H)	C[6,6a](C[5,6,6]C[5,6]2C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]S[5]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,2|O<1>,4|H<1>}	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(S[5]C[5,6]O)(C[6]C[6]O)(H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C[6,6a](C[5,6,6]C[5,6]2C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<3>,2|C<4>,3|C<3>,7|H<1>}	112.3740	0.000	1	112.3740	0.000	1	112.3740	0.000	1	112.3740	0.000	1	113.6250	9.488	25	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6,6]	C[5,6]	C[6,6a]	3:4:4:4:	4:4:2:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[6,6]-4:C[5]-4:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6,6]C[6]2C)(C[5]C[5]HH)	C[5,6](C[5,6,6]C[6,6a]C[6,6]C[5])(C[6]C[6]HH)(O[5]C[5])(H)	C[6,6a](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6,6]C[6]2C)(C[5]C[5]HH){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[5,6](C[5,6,6]C[6,6a]C[6,6]C[5])(C[6]C[6]HH)(O[5]C[5])(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6,6a](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H){1|O<2>,2|C<3>,5|C<4>,6|H<1>}	110.2120	0.000	1	110.2120	0.000	1	110.2120	0.000	1	110.2120	0.000	1	113.6250	9.488	25	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6,6]	C[5,6]	C[6,6a]	4:3:4:1:	4:4:1:1:	4:3:3:	C[5,5,3x6]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6](C[5,5,3x6]N[5,3x6]O[5,5]N[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]HH)(H)	C[5,6](C[5,6,6]C[5,5,3x6]C[6,6a]H)(C[5,5,6]C[5,6]O[5,5]C)(H)2	C[6,6a](C[5,6,6]C[5,5,3x6]C[5,6]H)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)	C[5,6,6](C[5,5,3x6]N[5,3x6]O[5,5]N[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]HH)(H){2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6,6]C[5,5,3x6]C[6,6a]H)(C[5,5,6]C[5,6]O[5,5]C)(H)2{1|O<1>,2|C<3>,2|N<3>}	C[6,6a](C[5,6,6]C[5,5,3x6]C[5,6]H)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|N<3>,5|H<1>}	111.3830	0.000	1	111.3830	0.000	1	111.3830	0.000	1	111.5620	0.064	2	113.6250	9.488	25	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6,6]	C[5,6]	C[6,6a]	4:3:4:1:	4:4:1:1:	4:3:3:	C[5,5,6,6]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]HH)(H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6a]H)(C[5,5,6]C[5,5,6]C[5,6]H)(H)2	C[6,6a](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6,6a]C[6a]P[6])(C[6a]C[6a]H)	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]HH)(H){1|C<4>,1|P<4>,2|C<3>,5|H<1>}	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6a]H)(C[5,5,6]C[5,5,6]C[5,6]H)(H)2{1|C<4>,1|P<4>,2|C<3>,4|H<1>}	C[6,6a](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6,6a]C[6a]P[6])(C[6a]C[6a]H){1|W<6>,2|C<3>,3|C<4>,5|H<1>}	111.7410	0.000	1	111.7410	0.000	1	111.7410	0.000	1	111.5620	0.064	2	113.6250	9.488	25	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6,6]	C[5,6]	C[6,6a]	4:3:4:1:	4:4:3:1:	4:3:3:	C[5,5,6,6]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]CH)(H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6a]H)(C[5,5,6]C[5,5,6]C[5,6]H)(COO)(H)	C[6,6a](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]CH)(H){1|O<2>,3|H<1>,4|C<3>}	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6a]H)(C[5,5,6]C[5,5,6]C[5,6]H)(COO)(H){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	110.5890	0.000	1	110.5890	0.000	1	112.5440	7.644	2	112.5440	7.644	2	113.6250	9.488	25	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6,6]	C[5,6]	C[6,6a]	4:3:4:1:	4:4:3:1:	4:3:3:	C[5,5,6,6]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6](C[5,5,6,6]N[5,6]O[5,5]C[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]CH)(H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6a]H)(C[5,5,6]C[5,6]O[5,5]N[6])(COO)(H)	C[6,6a](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6,6](C[5,5,6,6]N[5,6]O[5,5]C[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]CH)(H){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6a]H)(C[5,5,6]C[5,6]O[5,5]N[6])(COO)(H){1|N<2>,2|C<3>,4|C<4>}	C[6,6a](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	114.4990	0.000	1	114.4990	0.000	1	112.5440	7.644	2	112.5440	7.644	2	113.6250	9.488	25	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6,6]	C[5,6]	C[6,6a]	4:3:4:1:	4:4:4:4:	4:3:2:	C[5,5,6,6]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,6,6]-4:C[6,6a]-3:N[6a]-2:	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[6,6a]C[6,6a]N[6a])(C[5,6]C[5,5,6]CC)(H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(CH3)2	C[6,6a](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[6,6a]C[6,6a]N[6a])(C[5,6]C[5,5,6]CC)(H){2|C<3>,4|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(CH3)2{1|C<3>,1|N<2>,2|C<4>,4|H<1>}	C[6,6a](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,2|H<1>,6|C<4>}	115.9470	0.000	1	115.9470	0.000	1	115.9470	0.000	1	115.9470	0.000	1	113.6250	9.488	25	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6,6]	C[5,6]	C[6,6a]	4:3:4:2:	4:4:4:4:	4:3:3:	C[5,5,6]-4:C[6,6a]-3:C[5,6]-4:O[6]-2:	C[5,6,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]CC)(O[6]P[6])	C[5,6](C[5,6,6]C[5,5,6]C[6,6a]O[6])(C[5,5,6]C[5,5]C[5,6]H)(CH3)2	C[6,6a](C[5,6,6]C[5,5,6]C[5,6]O[6])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]CC)(O[6]P[6]){1|N<3>,1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,5,6]C[6,6a]O[6])(C[5,5,6]C[5,5]C[5,6]H)(CH3)2{1|P<4>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[5,6,6]C[5,5,6]C[5,6]O[6])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H){1|P<4>,2|H<1>,3|C<3>,6|C<4>}	114.6690	0.000	1	114.6690	0.000	1	114.6690	0.000	1	114.6690	0.000	1	113.6250	9.488	25	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6,6]	C[5,6]	C[6,6a]	4:3:4:4:	4:4:1:1:	4:3:3:	C[5,5,6]-4:C[6,6a]-3:C[5,6]-4:C[6]-4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]O[6]HH)	C[5,6](C[5,6,6]C[5,5,6]C[6,6a]C[6])(C[5,6]C[5,5]C[6]O)(H)2	C[6,6a](C[5,6,6]C[5,5,6]C[5,6]C[6])(C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]O[6]HH){2|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[5,6](C[5,6,6]C[5,5,6]C[6,6a]C[6])(C[5,6]C[5,5]C[6]O)(H)2{1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[5,6,6]C[5,5,6]C[5,6]C[6])(C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,3|O<2>,7|H<1>}	124.4160	0.000	1	124.4160	0.000	1	124.4160	0.000	1	124.4160	0.000	1	113.6250	9.488	25	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6,6]	C[5,6]	C[6,6a]	4:3:4:4:	4:4:3:1:	4:3:3:	C[5,6,6]-4:C[6,6a]-3:C[5,6]-4:C-4:	C[5,6,6]-4:C[6]-4:C[5]-3: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[5,6](C[5,6,6]C[5,6,6]C[6,6a]C)(C[6]C[6]HH)(C[5]O[5]O)(H)	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[5,6](C[5,6,6]C[5,6,6]C[6,6a]C)(C[6]C[6]HH)(C[5]O[5]O)(H){1|C<4>,2|C<3>,3|H<1>}	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>}	113.1710	0.000	1	113.1710	0.000	1	113.1710	0.000	1	113.1710	0.000	1	113.6250	9.488	25	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6,6]	C[5,6]	C[6a]	4:3:3:3:	4:3:3:3:	4:3:3:	C[5,6]-4:C[5,6]-3:C[6,6]-3:C[6a]-3:	C[5,6,6]-4:C[5,6]-3:C[6a]-3:C[5]-3:	C[5,6,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6](C[5,6]C[5,6]C[6a]C[5])(C[5,6]C[6,6a]C[5])(C[6,6]C[6,6a]C[6])(C[6a]C[6a]2)	C[5,6](C[5,6,6]C[5,6]C[6,6]C[6a])(C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[5,6,6]C[5,6]2C[6,6])(C[6a]C[6a]H)2	C[5,6,6](C[5,6]C[5,6]C[6a]C[5])(C[5,6]C[6,6a]C[5])(C[6,6]C[6,6a]C[6])(C[6a]C[6a]2){11|C<3>,1|O<1>,2|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]C[6a])(C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]O){11|C<3>,2|H<1>}	C[6a](C[5,6,6]C[5,6]2C[6,6])(C[6a]C[6a]H)2{2|H<1>,8|C<3>}	111.7120	0.211	2	111.7120	0.044	2	111.7120	0.044	2	111.7120	0.044	2	112.6285	2.990	4	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6,6]	C[5,6]	C[6a]	4:3:4:3:	4:3:4:2:	4:3:3:	C[5,6]-4:N[5,6]-3:C[6,6]-4:C[6a]-3:	C[5,6,6]-4:C[5,6a]-3:C[6]-4:O-2:	C[5,6,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6](C[5,6]C[5,6a]C[6]O)(N[5,6]C[5,6a]C[6])(C[6,6]C[6]N[6]H)(C[6a]C[6a]2)	C[5,6](C[5,6,6]C[6,6]N[5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(OH)	C[6a](C[5,6,6]C[5,6]C[6,6]N[5,6])(C[6a]C[5,6a]H)(C[6a]C[6a]O)	C[5,6,6](C[5,6]C[5,6a]C[6]O)(N[5,6]C[5,6a]C[6])(C[6,6]C[6]N[6]H)(C[6a]C[6a]2){1|O<1>,1|O<2>,2|C<4>,5|C<3>,5|H<1>}	C[5,6](C[5,6,6]C[6,6]N[5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(OH){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	C[6a](C[5,6,6]C[5,6]C[6,6]N[5,6])(C[6a]C[5,6a]H)(C[6a]C[6a]O){1|H<1>,1|N<3>,2|O<2>,3|C<4>,4|C<3>}	111.8770	0.000	1	111.8770	0.000	1	111.8770	0.000	1	111.8770	0.000	1	112.6285	2.990	4	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6,6]	C[5,6]	C[6a]	4:4:2:3:	4:4:1:1:	4:3:3:	C[5,6,6]-4:C[5,6]-4:O[5,6]-2:C[6a]-3:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5,6a]C[5])(C[5,6]C[5,5,6]HH)(O[5,6]C[5,5,6])(C[6a]C[6a]2)	C[5,6](C[5,6,6]C[5,6,6]O[5,6]C[6a])(C[5,5,6]C[5,5,6]2C[6a])(H)2	C[6a](C[5,6,6]C[5,6,6]C[5,6]O[5,6])(C[6a]C[6a]H)2	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5,6a]C[5])(C[5,6]C[5,5,6]HH)(O[5,6]C[5,5,6])(C[6a]C[6a]2){1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,6|C<3>}	C[5,6](C[5,6,6]C[5,6,6]O[5,6]C[6a])(C[5,5,6]C[5,5,6]2C[6a])(H)2{1|H<1>,1|O<2>,2|C<4>,7|C<3>}	C[6a](C[5,6,6]C[5,6,6]C[5,6]O[5,6])(C[6a]C[6a]H)2{3|C<3>,3|C<4>,4|H<1>}	115.2130	0.000	1	115.2130	0.000	1	115.2130	0.000	1	115.2130	0.000	1	112.6285	2.990	4	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6,6]	C[5]	C[6,6,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[6,6,6a]-3:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[6,6,6a]-3:C[6,6a,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]C[5,6]CO)(C[5]C[5]HH)(C[6]C[6]HO)	C[5](C[5,6,6]C[6,6,6a]C[5,6]C[6])(C[5]C[5,6]CO)(H)2	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[6,6])(C[6,6a,6a]C[6a,6a]C[6,6a])(C[5,6,6]C[5,6]C[5]C[6])	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6]C[5,6]CO)(C[5]C[5]HH)(C[6]C[6]HO){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5](C[5,6,6]C[6,6,6a]C[5,6]C[6])(C[5]C[5,6]CO)(H)2{1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[6,6])(C[6,6a,6a]C[6a,6a]C[6,6a])(C[5,6,6]C[5,6]C[5]C[6]){2|O<2>,3|C<4>,3|H<1>,6|C<3>}	108.0427	1.052	3	108.0427	1.106	3	108.0427	1.106	3	108.0427	1.106	3	108.7267	2.609	4	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6,6]	C[5]	C[6,6,6a]	4:3:4:3:	4:3:1:1:	4:3:3:	C[5,6]-4:C[6,6,6a]-3:C[5]-4:C[6]-3:	C[5,6,6]-4:C[5]-3: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[6,6]C[5]H)(C[6,6,6a]C[6,6a]2)(C[5]C[5]HH)(C[6]C[6]O)	C[5](C[5,6,6]C[6,6,6a]C[5,6]C[6])(C[5]C[5]O)(H)2	C[6,6,6a](C[5,6,6]C[5,6]C[5]C[6])(C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]C[6])	C[5,6,6](C[5,6]C[6,6]C[5]H)(C[6,6,6a]C[6,6a]2)(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,1|O<1>,2|O<2>,3|C<3>,3|H<1>}	C[5](C[5,6,6]C[6,6,6a]C[5,6]C[6])(C[5]C[5]O)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6,6,6a](C[5,6,6]C[5,6]C[5]C[6])(C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]C[6]){1|O<1>,2|O<2>,3|C<3>,3|C<4>,3|H<1>}	110.7790	0.000	1	110.7790	0.000	1	110.7790	0.000	1	110.7790	0.000	1	108.7267	2.609	4	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6,6]	C[5]	C[6,6a]	3:4:3:4:	4:4:1:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:N[6,6]-3:C[5]-4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[6,6]C[6]2)(C[5]C[5]HH)	C[5](C[5,6,6]C[6,6a]C[5,6]N[6,6])(C[5]C[5]HH)(H)2	C[6,6a](C[5,6,6]C[5,6]N[6,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[6,6]C[6]2)(C[5]C[5]HH){1|O<1>,2|C<3>,3|C<4>,8|H<1>}	C[5](C[5,6,6]C[6,6a]C[5,6]N[6,6])(C[5]C[5]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[5,6,6]C[5,6]N[6,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,4|C<4>,6|H<1>}	108.4830	0.000	1	108.4830	0.000	1	108.4830	0.000	1	108.4830	0.000	1	108.6484	4.558	9	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6,6]	C[5]	C[6,6a]	3:4:4:3:	4:3:4:1:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[5]-4:N[5,6]-3:	C[5,6,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[5]C[6a]C[5]H)(N[5,6]C[5]C[6])	C[5](C[5,6,6]C[6,6a]C[6,6]N[5,6])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6,6a](C[5,6,6]C[6,6]N[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[5]C[6a]C[5]H)(N[5,6]C[5]C[6]){1|C<4>,1|O<1>,6|C<3>,7|H<1>}	C[5](C[5,6,6]C[6,6a]C[6,6]N[5,6])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,3|C<4>,5|C<3>}	C[6,6a](C[5,6,6]C[6,6]N[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|C<4>,5|C<3>,5|H<1>}	113.2910	0.000	1	113.2910	0.000	1	113.2910	0.000	1	113.2910	0.000	1	108.6484	4.558	9	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6,6]	C[5]	C[6,6a]	3:4:4:4:	4:4:1:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[6,6]-4:C[5]-4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6,6]C[6]2C)(C[5]C[5]HH)	C[5](C[5,6,6]C[6,6a]C[5,6]C[6,6])(C[5]O[5]HO)(H)2	C[6,6a](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6,6]C[6]2C)(C[5]C[5]HH){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[5](C[5,6,6]C[6,6a]C[5,6]C[6,6])(C[5]O[5]HO)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6,6a](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H){1|O<2>,2|C<3>,5|C<4>,6|H<1>}	110.7480	0.000	1	110.7480	0.000	1	110.7480	0.000	1	110.7480	0.000	1	108.6484	4.558	9	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6,6]	C[5]	C[6,6a]	4:3:4:3:	4:4:1:1:	4:3:3:	C[5,6,6]-4:C[6,6a]-3:C[5]-4:C[6]-3:	C[5,6,6]-4:C[5]-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]N[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]O)	C[5](C[5,6,6]C[5,6,6]C[6,6a]C[6])(C[5]N[5,6]HH)(H)2	C[6,6a](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[5,6,6](C[5,6,6]N[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]O){2|C<3>,2|C<4>,7|H<1>}	C[5](C[5,6,6]C[5,6,6]C[6,6a]C[6])(C[5]N[5,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[6,6a](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	107.2950	0.000	1	107.2950	0.000	1	107.2950	0.000	1	107.2950	0.000	1	108.6484	4.558	9	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6,6]	C[5]	C[6,6a]	4:3:4:3:	4:4:2:1:	4:3:3:	C[5,6,6]-4:C[6,6a]-3:C[5]-4:C[6]-3:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6](C[5,6,6]N[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HO)(C[6]C[6]H)	C[5](C[5,6,6]C[5,6,6]C[6,6a]C[6])(C[5]N[5,6]HH)(OH)(H)	C[6,6a](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[5,6,6](C[5,6,6]N[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HO)(C[6]C[6]H){2|C<3>,2|C<4>,7|H<1>}	C[5](C[5,6,6]C[5,6,6]C[6,6a]C[6])(C[5]N[5,6]HH)(OH)(H){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|N<4>,2|C<3>,2|C<4>,2|O<2>,6|H<1>}	106.9970	1.136	2	106.9970	1.290	2	106.9970	1.290	2	106.9970	1.290	2	108.6484	4.558	9	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6,6]	C[5]	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]-4:C[6]-4:	C[5,6,6]-4:C[5]-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[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HH)	C[5](C[5,6,6]C[5,6,6]C[6,6a]C[6])(C[5]C[5,6]HH)(H)2	C[6,6a](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,2|C<4>,8|H<1>}	C[5](C[5,6,6]C[5,6,6]C[6,6a]C[6])(C[5]C[5,6]HH)(H)2{2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,4|C<4>,8|H<1>}	107.8860	0.000	1	107.8860	0.000	1	107.6930	0.074	2	108.0083	0.336	3	108.6484	4.558	9	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6,6]	C[5]	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]-4:C[6]-4:	C[5,6,6]-4:C[5]-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]N[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HH)	C[5](C[5,6,6]C[5,6,6]C[6,6a]C[6])(C[5]N[5,6]HH)(H)2	C[6,6a](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[5,6,6](C[5,6,6]N[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,2|C<4>,8|H<1>}	C[5](C[5,6,6]C[5,6,6]C[6,6a]C[6])(C[5]N[5,6]HH)(H)2{2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<3>,1|N<4>,1|O<2>,3|C<4>,8|H<1>}	107.5000	0.000	1	107.5000	0.000	1	107.6930	0.074	2	108.0083	0.336	3	108.6484	4.558	9	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6,6]	C[5]	C[6,6a]	4:3:4:4:	4:4:1:1:	4:3:3:	C[5,6,6]-4:C[6,6a]-3:C[6,6]-4:C[5]-4:	C[5,6,6]-4:C[5]-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]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[5]C[5]HH)	C[5](C[5,6,6]C[5,6,6]C[6,6a]C[6,6])(C[5]N[5,6]HH)(H)2	C[6,6a](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6,6a]C[5,6a]N[6])(C[6a]C[6a]H)	C[5,6,6](C[5,6,6]C[6,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[5]C[5]HH){1|N<3>,1|O<2>,2|C<4>,5|C<3>,5|H<1>}	C[5](C[5,6,6]C[5,6,6]C[6,6a]C[6,6])(C[5]N[5,6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[6,6a](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6,6a]C[5,6a]N[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,4|C<4>,5|H<1>}	108.6390	0.000	1	108.6390	0.000	1	108.6390	0.000	1	108.0083	0.336	3	108.6484	4.558	9	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[3x5,6,6]	C[6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[3x5,6,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[3x5,3x6]-4:C[4x5,6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]H)(C[5,6]C[3x5,6,6]C[6a]O)(C[6a]C[6a]2)(H)	C[3x5,6,6](C[3x5,3x6]C[3x5,3x6]C[5,5,6]C)(C[4x5,6,6]C[3x5,6,6]2H)(C[5,6]C[5,6]C[6a]H)(H)	C[6a](C[5,6]C[3x5,6,6]C[5,6]H)(C[6a]C[6a]H)2	C[5,6](C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]H)(C[5,6]C[3x5,6,6]C[6a]O)(C[6a]C[6a]2)(H){3|C<4>,4|H<1>,5|C<3>}	C[3x5,6,6](C[3x5,3x6]C[3x5,3x6]C[5,5,6]C)(C[4x5,6,6]C[3x5,6,6]2H)(C[5,6]C[5,6]C[6a]H)(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[5,6]C[3x5,6,6]C[5,6]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	116.8940	0.000	1	116.8940	0.000	1	116.8940	0.000	1	116.8940	0.000	1	113.4763	10.557	3	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[3x5,6,6]	C[6a]	4:4:3:2:	4:4:4:1:	4:3:3:	C[3x5,6,6]-4:C[5,6]-4:C[6a]-3:O-2:	C[3x5,3x6]-4:C[4x5,6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]H)(C[5,6]C[3x5,6,6]C[6a]H)(C[6a]C[6a]2)(OH)	C[3x5,6,6](C[3x5,3x6]C[3,5,5,6]C[3x5,3x6]H)(C[4x5,6,6]C[3x5,6,6]2H)(C[5,6]C[5,6]C[6a]O)(H)	C[6a](C[5,6]C[3x5,6,6]C[5,6]O)(C[6a]C[6a]H)2	C[5,6](C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]H)(C[5,6]C[3x5,6,6]C[6a]H)(C[6a]C[6a]2)(OH){3|C<4>,4|C<3>,5|H<1>}	C[3x5,6,6](C[3x5,3x6]C[3,5,5,6]C[3x5,3x6]H)(C[4x5,6,6]C[3x5,6,6]2H)(C[5,6]C[5,6]C[6a]O)(H){3|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6]C[3x5,6,6]C[5,6]O)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,4|H<1>}	113.1080	0.000	1	113.1080	0.000	1	111.7675	3.594	2	111.7675	3.594	2	113.4763	10.557	3	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[3x5,6,6]	C[6a]	4:4:3:2:	4:4:4:1:	4:3:3:	C[3x5,6,6]-4:C[5,6]-4:C[6a]-3:O-2:	C[3x5,3x6]-4:C[4x5,6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]H)(C[5,6]C[3x5,6,6]HH)(C[6a]C[6a]2)(OH)	C[3x5,6,6](C[3x5,3x6]C[3x5,3x6]C[5,5,6]H)(C[4x5,6,6]C[3x5,6,6]2H)(C[5,6]C[5,6]C[6a]O)(H)	C[6a](C[5,6]C[3x5,6,6]C[5,6]O)(C[6a]C[6a]H)2	C[5,6](C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]H)(C[5,6]C[3x5,6,6]HH)(C[6a]C[6a]2)(OH){2|C<3>,3|C<4>,5|H<1>}	C[3x5,6,6](C[3x5,3x6]C[3x5,3x6]C[5,5,6]H)(C[4x5,6,6]C[3x5,6,6]2H)(C[5,6]C[5,6]C[6a]O)(H){1|C<4>,3|C<3>,6|H<1>}	C[6a](C[5,6]C[3x5,6,6]C[5,6]O)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,5|H<1>}	110.4270	0.000	1	110.4270	0.000	1	111.7675	3.594	2	111.7675	3.594	2	113.4763	10.557	3	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[3x5,6]	C[6a]	4:2:3:1:	4:4:3:4:	4:3:3:	C[3x5,6]-4:S[5,6]-2:C[6a]-3:H-1:	C[3x5,6]-4:C[5,6]-4:C[5,5]-3:C[5]-4:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[3x5,6]C[3x5,6]C[5,5]C[5])(S[5,6]C[5,5,6])(C[6a]C[6a]2)(H)	C[3x5,6](C[3x5,6]C[5,5,6]C[5]N[5])(C[5,6]S[5,6]C[6a]H)(C[5,5]C[5,5,6]O)(C[5]C[5]HH)	C[6a](C[5,6]C[3x5,6]S[5,6]H)(C[6a]C[6a]H)2	C[5,6](C[3x5,6]C[3x5,6]C[5,5]C[5])(S[5,6]C[5,5,6])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[3x5,6](C[3x5,6]C[5,5,6]C[5]N[5])(C[5,6]S[5,6]C[6a]H)(C[5,5]C[5,5,6]O)(C[5]C[5]HH){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5,6]C[3x5,6]S[5,6]H)(C[6a]C[6a]H)2{2|C<3>,2|H<1>,3|C<4>}	112.7030	0.000	1	112.7030	0.000	1	112.7030	0.000	1	112.7030	0.000	1	110.9945	1.421	4	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[3x5,6]	C[6a]	4:2:3:3:	4:3:2:2:	4:3:3:	C[3x5,6]-4:S[5,6]-2:C[6a]-3:C-3:	C[5,6]-4:N[5,5,6]-3:S[5,5]-2:S[5]-2:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[3x5,6]N[5,5,6]S[5,5]S[5])(S[5,6]C[5,5,6])(C[6a]C[6a]2)(CN[5]O)	C[3x5,6](C[5,6]S[5,6]C[6a]C)(N[5,5,6]C[5,6]C[5])(S[5,5]C[5,5,6])(S[5]C[5])	C[6a](C[5,6]C[3x5,6]S[5,6]C)(C[6a]C[6a]H)2	C[5,6](C[3x5,6]N[5,5,6]S[5,5]S[5])(S[5,6]C[5,5,6])(C[6a]C[6a]2)(CN[5]O){2|C<4>,2|H<1>,4|C<3>}	C[3x5,6](C[5,6]S[5,6]C[6a]C)(N[5,5,6]C[5,6]C[5])(S[5,5]C[5,5,6])(S[5]C[5]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6]C[3x5,6]S[5,6]C)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|S<2>}	109.9290	0.000	1	110.4250	0.185	3	110.4250	0.185	3	110.4250	0.185	3	110.9945	1.421	4	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[3x5,6]	C[6a]	4:2:3:3:	4:3:2:2:	4:3:3:	C[3x5,6]-4:S[5,6]-2:C[6a]-3:C-3:	C[5,6]-4:N[5,5,6]-3:S[5,5]-2:S[5]-2:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[3x5,6]N[5,5,6]S[5,5]S[5])(S[5,6]C[5,5,6])(C[6a]C[6a]2)(CN[5]O)	C[3x5,6](C[5,6]S[5,6]C[6a]C)(N[5,5,6]C[5,6]C[5])(S[5,5]C[5,5,6])(S[5]C[5])	C[6a](C[5,6]C[3x5,6]S[5,6]C)(C[6a]C[6a]H)2	C[5,6](C[3x5,6]N[5,5,6]S[5,5]S[5])(S[5,6]C[5,5,6])(C[6a]C[6a]2)(CN[5]O){2|C<4>,2|H<1>,4|C<3>}	C[3x5,6](C[5,6]S[5,6]C[6a]C)(N[5,5,6]C[5,6]C[5])(S[5,5]C[5,5,6])(S[5]C[5]){1|O<1>,3|C<3>,4|H<1>}	C[6a](C[5,6]C[3x5,6]S[5,6]C)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|S<2>}	110.6560	0.000	1	110.4250	0.185	3	110.4250	0.185	3	110.4250	0.185	3	110.9945	1.421	4	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[3x5,6]	C[6a]	4:2:3:3:	4:3:2:2:	4:3:3:	C[3x5,6]-4:S[5,6]-2:C[6a]-3:C-3:	C[5,6]-4:N[5,5,6]-3:S[5,5]-2:S[5]-2:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[3x5,6]N[5,5,6]S[5,5]S[5])(S[5,6]C[5,5,6])(C[6a]C[6a]2)(CN[5]O)	C[3x5,6](C[5,6]S[5,6]C[6a]C)(N[5,5,6]C[5,6]C[5])(S[5,5]C[5,5,6])(S[5]C[5])	C[6a](C[5,6]C[3x5,6]S[5,6]C)(C[6a]C[6a]H)2	C[5,6](C[3x5,6]N[5,5,6]S[5,5]S[5])(S[5,6]C[5,5,6])(C[6a]C[6a]2)(CN[5]O){2|C<4>,2|H<1>,4|C<3>}	C[3x5,6](C[5,6]S[5,6]C[6a]C)(N[5,5,6]C[5,6]C[5])(S[5,5]C[5,5,6])(S[5]C[5]){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5,6]C[3x5,6]S[5,6]C)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|S<2>}	110.6900	0.000	1	110.4250	0.185	3	110.4250	0.185	3	110.4250	0.185	3	110.9945	1.421	4	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[3x5]	C[6,6a]	4:3:4:1:	4:4:4:2:	4:3:3:	C[3x5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[3x5]-4:C[5]-4:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[3x5]C[3x5]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O)(H)	C[3x5](C[5,6]C[6,6a]C[5,6]H)(C[3x5]C[5]2O[5])(C[5]C[5]HH)(O[5]C[5])	C[6,6a](C[5,6]C[3x5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[3x5]C[3x5]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O)(H){1|C<4>,2|O<2>,4|C<3>,7|H<1>}	C[3x5](C[5,6]C[6,6a]C[5,6]H)(C[3x5]C[5]2O[5])(C[5]C[5]HH)(O[5]C[5]){1|C<4>,1|O<2>,2|C<3>,2|O<1>,4|H<1>}	C[6,6a](C[5,6]C[3x5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|O<2>,4|C<4>}	115.1850	0.769	2	115.1850	0.592	2	115.1850	0.592	2	115.1850	0.592	2	115.1850	0.592	2	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,3x6]	C[6a]	4:4:3:1:	3:4:4:4:	4:3:3:	C[5,3x6]-4:C[3,5,6]-4:C[6a]-3:H-1:	C[5a,6,6]-3:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,3x6]C[5a,6,6]C[5,6,6]C[6])(C[3,5,6]C[3,5,6]C[3,6,6]H)(C[6a]C[6a]2)(H)	C[5,3x6](C[5a,6,6]C[5a,6,6]N[5a])(C[5,6,6]C[3,5,6]C[6]H)(C[5,6]C[3,5,6]C[6a]H)(C[6]C[6]HH)	C[6a](C[5,6]C[3,5,6]C[5,3x6]H)(C[6a]C[6a]H)2	C[5,6](C[5,3x6]C[5a,6,6]C[5,6,6]C[6])(C[3,5,6]C[3,5,6]C[3,6,6]H)(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,3|C<3>,7|H<1>}	C[5,3x6](C[5a,6,6]C[5a,6,6]N[5a])(C[5,6,6]C[3,5,6]C[6]H)(C[5,6]C[3,5,6]C[6a]H)(C[6]C[6]HH){3|C<4>,4|C<3>,6|H<1>}	C[6a](C[5,6]C[3,5,6]C[5,3x6]H)(C[6a]C[6a]H)2{2|C<3>,3|H<1>,4|C<4>}	116.8320	0.000	1	116.8320	0.000	1	116.8320	0.000	1	116.8320	0.000	1	116.8320	0.000	1	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5,6,6]	C[6a]	4:4:3:2:	4:4:4:1:	4:3:3:	C[5,5,6,6]-4:C[4,5,6]-4:C[6a]-3:O-2:	C[5,5,6,6]-4:C[3x5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(C[6a]C[6a]2)(OH)	C[5,5,6,6](C[5,5,6,6]C[3x5,6]C[5,5,6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,6]C[4,5,6]C[6a]O)(H)	C[6a](C[5,6]C[5,5,6,6]C[4,5,6]O)(C[6a]C[6a]H)2	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(C[6a]C[6a]2)(OH){2|C<3>,4|C<4>,6|H<1>}	C[5,5,6,6](C[5,5,6,6]C[3x5,6]C[5,5,6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,6]C[4,5,6]C[6a]O)(H){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6a](C[5,6]C[5,5,6,6]C[4,5,6]O)(C[6a]C[6a]H)2{1|C<3>,4|C<4>,4|H<1>}	109.4210	0.000	1	109.4210	0.000	1	109.4210	0.000	1	109.4210	0.000	1	109.4210	0.000	1	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[6a]	4:2:3:1:	4:2:2:3:	4:3:3:	C[5,5,6]-4:O[5,6]-2:C[6a]-3:H-1:	C[5,6]-4:O[5,5]-2:O[5,6]-2:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]O[5,5]O[5,6]C[6a])(O[5,6]P[3x5,6])(C[6a]C[6a]2)(H)	C[5,5,6](C[5,6]O[5,6]C[6a]H)(O[5,5]P[3x5,6])(O[5,6]C[5,6])(C[6a]C[6a]2)	C[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]O[5,5]O[5,6]C[6a])(O[5,6]P[3x5,6])(C[6a]C[6a]2)(H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[5,5,6](C[5,6]O[5,6]C[6a]H)(O[5,5]P[3x5,6])(O[5,6]C[5,6])(C[6a]C[6a]2){2|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)2{1|P<5>,2|C<3>,2|H<1>,2|O<2>}	115.8940	0.577	2	115.8940	0.333	2	115.8940	0.333	2	115.8940	0.333	2	116.0476	6.745	109	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[6a]	4:2:3:1:	4:4:2:1:	4:3:3:	C[5,5,6]-4:O[5,6]-2:C[6a]-3:H-1:	C[5,6]-4:C[5,5]-4:O[5,6]-2:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(O[5,6]C[5,5,6])(C[6a]C[6a]2)(H)	C[5,5,6](C[5,6]O[5,6]C[6a]H)(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(H)	C[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(O[5,6]C[5,5,6])(C[6a]C[6a]2)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,6]O[5,6]C[6a]H)(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	114.0060	0.000	1	114.0060	0.000	1	114.0060	0.000	1	114.0060	0.000	1	116.0476	6.745	109	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[6a]	4:2:3:1:	4:4:2:3:	4:3:3:	C[5,5,6]-4:O[5,6]-2:C[6a]-3:H-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,6]O[5,5]C[6a])(O[5,6]P[3x5,6])(C[6a]C[6a]2)(H)	C[5,5,6](C[5,6]O[5,6]C[6a]H)(C[5,6]O[5,6]CC)(O[5,5]P[3x5,6])(C[6a]C[6a]2)	C[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]C[6a])(O[5,6]P[3x5,6])(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,3|O<2>,4|C<3>}	C[5,5,6](C[5,6]O[5,6]C[6a]H)(C[5,6]O[5,6]CC)(O[5,5]P[3x5,6])(C[6a]C[6a]2){2|H<1>,2|O<2>,4|C<3>}	C[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,1|P<5>,2|C<3>,2|H<1>}	115.0260	0.000	1	115.0260	0.000	1	115.0260	0.000	1	115.0260	0.000	1	116.0476	6.745	109	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[6a]	4:3:3:1:	4:4:4:1:	4:3:3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(C[6a]C[6a]2)(H){1|C<4>,2|C<3>,7|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<3>,3|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	112.4613	0.950	3	112.4613	0.902	3	112.4613	0.902	3	112.4613	0.902	3	116.0476	6.745	109	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[6a]	4:3:3:3:	3:4:3:3:	4:3:3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6]C[6a]C[5])(C[5,6]C[5,6a]C[6])(C[5]C[6a]C[5])	C[6a](C[5,6]C[5,5,6]C[5,6]C[5])(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]O){11|C<3>,2|H<1>}	C[5,5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6]C[6a]C[5])(C[5,6]C[5,6a]C[6])(C[5]C[6a]C[5]){11|C<3>,1|H<1>,1|O<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]C[5])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,7|C<3>}	114.5090	0.000	1	114.5090	0.000	1	114.5090	0.000	1	114.5090	0.000	1	116.0476	6.745	109	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[6a]	4:3:3:3:	4:3:4:4:	4:3:3:	C[5,5,6]-4:C[6a]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[5,5]-4:C[6]-4:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,6a]C[5,5]C[6])(C[6a]C[6a]2)(C[5]N[5]O)(C[6]N[6]O)	C[5,5,6](C[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[6]C[6]HH)	C[6a](C[5,6]C[5,5,6]C[5]C[6])(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,6a]C[5,5]C[6])(C[6a]C[6a]2)(C[5]N[5]O)(C[6]N[6]O){1|N<3>,1|S<4>,2|C<4>,4|C<3>,5|H<1>}	C[5,5,6](C[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[6]C[6]HH){1|N<3>,1|S<4>,2|O<1>,4|C<3>,4|H<1>}	C[6a](C[5,6]C[5,5,6]C[5]C[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>,2|N<3>,2|O<1>}	115.1290	0.000	1	115.1290	0.000	1	115.1290	0.000	1	115.1290	0.000	1	116.0476	6.745	109	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[6a]	4:3:3:4:	3:4:2:3:	4:3:3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:P[6]-4:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]C)(C[6a]C[6a]2)(P[6]O[6]2O)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[6a]P[6])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[5,6]C[5,5,6]C[5,6]P[6])(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]C)(C[6a]C[6a]2)(P[6]O[6]2O){2|C<4>,2|H<1>,7|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[6a]P[6])(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|O<1>,2|O<2>,3|H<1>,8|C<3>}	C[6a](C[5,6]C[5,5,6]C[5,6]P[6])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|O<2>,4|C<3>}	109.8960	1.688	3	109.8960	2.849	3	109.8960	2.849	3	109.8960	2.849	3	116.0476	6.745	109	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[6a]	4:3:4:1:	3:4:2:1:	4:3:3:	C[5,5,6]-4:C[6a]-3:C[5,6]-4:H-1:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:C[6a,6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[6a]C[6a,6a]C[6a])(C[5,6]C[5,5,6]SiH)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[6a]H)(O[5,5]C[5,5,6])(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[6a]C[6a,6a]C[6a])(C[5,6]C[5,5,6]SiH)(H){1|Si<4>,1|H<1>,5|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[6a]H)(O[5,5]C[5,5,6])(H){1|Si<4>,3|H<1>,4|C<3>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Si){1|Si<4>,1|C<4>,1|O<2>,4|C<3>,4|H<1>}	120.0470	0.000	1	120.0470	0.000	1	120.0470	0.000	1	120.0470	0.000	1	116.0476	6.745	109	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[6a]	4:3:4:1:	4:4:4:1:	4:3:2:	C[5,5,6]-4:C[6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:C[6a,6a]-3:N[6a]-2:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a,6a]N[6a])(C[5,6]C[5,5,6]HH)(H)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a,6a]N[6a])(C[5,6]C[5,5,6]HH)(H){1|C<4>,3|C<3>,5|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<2>,1|O<2>,4|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]){3|C<4>,4|C<3>,4|H<1>}	112.1970	0.000	1	112.1970	0.000	1	113.7740	4.974	2	113.7740	4.974	2	116.0476	6.745	109	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[6a]	4:3:4:1:	4:4:4:1:	4:3:2:	C[5,5,6]-4:C[6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:C[6a,6a]-3:N[6a]-2:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a,6a]N[6a])(C[5,6]C[5,5,6]HH)(H)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a,6a]N[6a])(C[5,6]C[5,5,6]HH)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H){1|C<3>,1|N<2>,5|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]){3|C<4>,4|C<3>,4|H<1>}	115.3510	0.000	1	115.3510	0.000	1	113.7740	4.974	2	113.7740	4.974	2	116.0476	6.745	109	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[6a]	4:3:4:1:	4:4:4:1:	4:3:3:	C[5,5,6]-4:C[6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:C[6a,6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a,6a]C[6a])(C[5,6]C[5,5,6]HH)(H)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a,6a]C[6a])(C[5,6]C[5,5,6]HH)(H){1|C<4>,3|C<3>,6|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<3>,5|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	116.7170	0.000	1	116.7170	0.000	1	116.7170	0.000	1	116.7170	0.000	1	116.0476	6.745	109	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[6a]	4:3:4:2:	4:4:4:1:	4:3:3:	C[5,5,6]-4:C[6a]-3:C[6]-4:N[5]-2:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(N[5]N[5])	C[5,5,6](C[5,6]C[6a]C[6]N[5])(C[5,5]C[5]N[5]C)(C[5,6]C[6]N[5]H)(H)	C[6a](C[5,6]C[5,5,6]C[6]N[5])(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(N[5]N[5]){1|N<4>,2|C<4>,3|C<3>,5|H<1>}	C[5,5,6](C[5,6]C[6a]C[6]N[5])(C[5,5]C[5]N[5]C)(C[5,6]C[6]N[5]H)(H){1|C<4>,2|C<3>,8|H<1>}	C[6a](C[5,6]C[5,5,6]C[6]N[5])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,3|C<4>,5|H<1>}	112.3603	0.638	4	112.3603	0.408	4	112.3603	0.408	4	112.3603	0.408	4	116.0476	6.745	109	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[6a]	4:3:4:3:	4:2:3:1:	4:3:3:	C[5,5,6]-4:C[6a]-3:C[5,6]-4:C-3:	C[5,6]-4:O[5,5]-2:C[5,6]-3: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]CH)(COO)	C[5,5,6](C[5,6]C[5,6]C[6a]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(H)	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]CH)(COO){2|C<4>,2|H<1>,3|C<3>}	C[5,5,6](C[5,6]C[5,6]C[6a]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(H){3|C<3>,3|H<1>}	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>,2|C<4>,4|C<3>,4|H<1>}	115.0240	0.000	1	115.0240	0.000	1	115.0240	0.000	1	115.0240	0.000	1	116.0476	6.745	109	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[6a]	4:3:4:4:	4:4:2:1:	4:3:3:	C[5,5,6]-4:C[6a]-3:C[5,6]-4:C-4:	C[5,6]-4:C[5,6]-4:O[5,5]-2: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[5,5,6](C[5,6]C[5,6]C[6a]C)(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H)	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[5,5,6](C[5,6]C[5,6]C[6a]C)(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H){1|C<4>,3|C<3>,3|H<1>}	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>}	116.5505	1.063	2	116.5505	1.130	2	116.5505	1.130	2	116.5505	1.130	2	116.0476	6.745	109	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[6a]	4:4:3:1:	3:4:2:1:	4:3:3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]SiH)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[6a]H)(O[5,5]C[5,5,6])(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]Si)(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]SiH)(C[6a]C[6a]2)(H){1|Si<4>,2|H<1>,4|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[6a]H)(O[5,5]C[5,5,6])(H){1|Si<4>,3|H<1>,4|C<3>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]Si)(C[6a]C[6a]H){1|Si<4>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	112.5650	0.000	1	112.5650	0.000	1	112.5650	0.000	1	112.5650	0.000	1	116.0476	6.745	109	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[6a]	4:4:3:1:	3:4:3:3:	4:3:3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,6]-4:C[5,5]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]C[6a])(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]O)(C[6a]C[6a]2)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]C[6a])(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,7|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]O)(C[6a]C[6a]2){3|H<1>,9|C<3>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,5|C<3>}	117.8900	0.000	1	117.8900	0.000	1	117.8900	0.000	1	117.8900	0.000	1	116.0476	6.745	109	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[6a]	4:4:3:1:	3:4:4:3:	4:3:3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5a,6]-3:C[3x5]-4:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5a,6]C[3x5]C[6a])(C[5,6]C[3x5,6]HH)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[3x5]C[3x5,6]C[5]H)(C[5,6]C[5,6]C[6a]H)(C[6a]C[6a]2)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5a,6]C[3x5]C[6a])(C[5,6]C[3x5,6]HH)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,6|C<3>}	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[3x5]C[3x5,6]C[5]H)(C[5,6]C[5,6]C[6a]H)(C[6a]C[6a]2){1|N<3>,2|C<4>,5|C<3>,7|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	114.2305	1.371	2	114.2305	1.880	2	114.2305	1.880	2	115.0347	2.880	3	116.0476	6.745	109	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[6a]	4:4:3:1:	3:4:4:3:	4:3:3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5a,6]-3:C[5,6]-4:C[5,5]-4:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5a,6]C[5,5]C[6a])(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[6a]C[6a]2)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5a,6]C[5,5]C[6a])(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H){5|H<1>,6|C<3>}	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[6a]C[6a]2){1|N<3>,5|C<3>,6|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	116.6430	0.000	1	116.6430	0.000	1	116.6430	0.000	1	115.0347	2.880	3	116.0476	6.745	109	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[6a]	4:4:3:1:	4:2:3:4:	4:3:3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]CC)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(O[5,5]C[5,5,6])(C[5,6]O[5,6]O)(CH3)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]CC)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(O[5,5]C[5,5,6])(C[5,6]O[5,6]O)(CH3){2|C<4>,3|C<3>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>,3|C<4>}	113.5380	0.000	1	113.5380	0.000	1	113.5380	0.000	1	114.8744	2.070	5	116.0476	6.745	109	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[6a]	4:4:3:1:	4:2:3:4:	4:3:3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:S[5,5]-2:C[5,6]-3:C-4:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,6]S[5,5]C)(C[5,6]C[5,5,6]HN)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(S[5,5]C[5,5,6])(C[5,6]N[5,6]O)(CH3)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,6]S[5,5]C)(C[5,6]C[5,5,6]HN)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(S[5,5]C[5,5,6])(C[5,6]N[5,6]O)(CH3){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2{1|N<3>,1|S<2>,2|C<3>,2|C<4>,3|H<1>}	115.2085	1.420	4	115.2085	2.016	4	115.2085	2.016	4	114.8744	2.070	5	116.0476	6.745	109	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[6a]	4:4:3:1:	4:3:2:3:	4:3:3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5,6]-3:S[5,5]-2:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,6]C[3x5,6]HN)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,6]N[5,5,6]O)(S[5,5]C[3x5,6])(C[6a]C[6a]2)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,6]C[3x5,6]HN)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|S<2>,2|H<1>,4|C<3>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,6]N[5,5,6]O)(S[5,5]C[3x5,6])(C[6a]C[6a]2){1|C<4>,1|N<3>,1|S<2>,3|H<1>,4|C<3>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|S<2>,3|C<3>,3|H<1>}	115.1660	0.000	1	115.1660	0.000	1	115.1660	0.000	1	115.1660	0.000	1	116.0476	6.745	109	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[6a]	4:4:3:1:	4:3:3:3:	4:3:3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5,6]-3:C[5,5]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(C[6a]C[6a]2)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,7|C<3>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(C[6a]C[6a]2){4|H<1>,8|C<3>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,3|C<3>,4|H<1>}	118.7360	0.000	1	117.6357	0.908	3	117.6357	0.908	3	117.6357	0.908	3	116.0476	6.745	109	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[6a]	4:4:3:1:	4:3:3:3:	4:3:3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5,6]-3:C[5,5]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(C[6a]C[6a]2)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,7|C<3>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]O)(C[6a]C[6a]2){4|H<1>,8|C<3>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	117.0855	0.012	2	117.6357	0.908	3	117.6357	0.908	3	117.6357	0.908	3	116.0476	6.745	109	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[6a]	4:4:3:1:	4:3:4:4:	4:3:3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5,5]-3:C[5,6]-4:C-4:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)(CH3)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)(CH3){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	115.7270	0.000	1	115.7270	0.000	1	115.7270	0.000	1	114.5010	3.006	2	116.0476	6.745	109	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[6a]	4:4:3:1:	4:3:4:4:	4:3:3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:N[5,6]-3:C[5,5]-4:C-4:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]N[5,6]C)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(N[5,6]O[5]O[6])(C[5,5]C[5]2H)(CH3)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5]N[5,6]C)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,2|C<3>,3|O<2>,6|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(N[5,6]O[5]O[6])(C[5,5]C[5]2H)(CH3){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,3|H<1>,4|C<4>}	113.2750	0.000	1	113.2750	0.000	1	113.2750	0.000	1	114.5010	3.006	2	116.0476	6.745	109	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[6a]	4:4:3:1:	4:4:2:4:	4:3:3:	C[5,5,6]-4:P[5,5,6]-4:C[6a]-3:H-1:	C[3x5,6]-4:C[5,6]-4:O[5]-2:C-4:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[3x5,6]O[5]C)(P[5,5,6]C[5,5]C[5,6]S)(C[6a]C[6a]2)(H)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C)(C[5,6]P[5,5,6]C[6a]H)(O[5]C[5])(CH3)	C[6a](C[5,6]C[5,5,6]P[5,5,6]H)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[3x5,6]O[5]C)(P[5,5,6]C[5,5]C[5,6]S)(C[6a]C[6a]2)(H){2|C<3>,4|C<4>,5|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C)(C[5,6]P[5,5,6]C[6a]H)(O[5]C[5])(CH3){1|C<4>,1|S<1>,2|C<3>,5|H<1>}	C[6a](C[5,6]C[5,5,6]P[5,5,6]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,1|S<1>,2|H<1>,4|C<4>}	119.3355	4.351	2	119.3355	18.930	2	119.3355	18.930	2	119.3355	18.930	2	116.0476	6.745	109	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,6]C[5,5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[6a](C[5,6]C[5,5,6]2H)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,4|C<3>,8|H<1>}	C[5,5,6](C[5,6]C[5,5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6]C[5,5,6]2H)(C[6a]C[6a]H)2{1|Cl<1>,2|H<1>,3|C<3>,3|C<4>}	119.4720	0.000	1	119.4720	0.000	1	119.4720	0.000	1	115.6456	8.593	13	116.0476	6.745	109	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]2)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,6]C[5,6,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[6a](C[5,6]C[5,5,6]C[5,6,6]H)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]2)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,4|C<3>,8|H<1>}	C[5,5,6](C[5,6]C[5,6,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6]C[5,5,6]C[5,6,6]H)(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	118.3410	0.000	1	118.3410	0.000	1	118.3410	0.000	1	115.6456	8.593	13	116.0476	6.745	109	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	As[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(C[6a]C[6a]2)(H)	C[5,5,6](As[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]C[6a]H)(C[5,6]C[5,6]C)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(C[6a]C[6a]2)(H){1|Pd<4>,1|C<4>,3|H<1>,4|C<3>}	C[5,5,6](As[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]C[6a]H)(C[5,6]C[5,6]C)(H){1|C<4>,1|P<4>,2|H<1>,4|C<3>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2{1|As<4>,1|C<4>,1|P<4>,2|C<3>,4|H<1>}	114.3940	0.000	1	114.3940	0.000	1	114.3940	0.000	1	115.6456	8.593	13	116.0476	6.745	109	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[3,5,5]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[3,5,5]N[5,6]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H)	C[5,5,6](C[3,5,5]C[5,5,6]C[3]2)(C[5,6]C[5,6]C[6a]H)(N[5,6]N[5,6]C)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[3,5,5]N[5,6]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,3|C<3>,3|C<4>}	C[5,5,6](C[3,5,5]C[5,5,6]C[3]2)(C[5,6]C[5,6]C[6a]H)(N[5,6]N[5,6]C)(H){3|C<3>,7|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,6|H<1>}	112.3110	0.000	1	112.3110	0.000	1	112.3110	0.000	1	115.6456	8.593	13	116.0476	6.745	109	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(H){3|C<3>,6|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){3|C<3>,3|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	116.1202	0.870	4	116.1202	0.757	4	115.4306	8.514	9	115.6456	8.593	13	116.0476	6.745	109	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H){1|N<2>,5|C<3>,5|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){3|C<3>,3|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<4>,3|H<1>,4|C<3>}	114.2970	0.000	1	114.2970	0.000	1	115.4306	8.514	9	115.6456	8.593	13	116.0476	6.745	109	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)(C[6a]C[6a]S)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H){1|S<4>,5|C<3>,5|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){3|C<3>,3|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)(C[6a]C[6a]S){2|C<4>,3|C<3>,4|H<1>}	116.4300	0.000	1	116.4300	0.000	1	115.4306	8.514	9	115.6456	8.593	13	116.0476	6.745	109	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H){4|C<3>,5|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){2|C<3>,4|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a,6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	117.6985	0.308	2	117.6985	0.095	2	115.4306	8.514	9	115.6456	8.593	13	116.0476	6.745	109	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H){3|C<3>,6|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){2|C<3>,4|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2{2|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	108.2700	0.000	1	108.2700	0.000	1	115.4306	8.514	9	115.6456	8.593	13	116.0476	6.745	109	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[6a]	4:4:3:1:	4:4:3:3:	4:3:3:	C[5,6,6]-4:C[5,5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-3:C-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]C[5,6]C)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,6]C[5,6,6]C[6a]H)(C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6]N)(CCO)	C[6a](C[5,6]C[5,5,6]C[5,6,6]H)(C[6a]C[6a]H)2	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]C[5,6]C)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,4|C<3>,6|H<1>}	C[5,5,6](C[5,6]C[5,6,6]C[6a]H)(C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6]N)(CCO){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5,6]C[5,5,6]C[5,6,6]H)(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	114.4410	0.000	1	114.4410	0.000	1	114.4410	0.000	1	114.4410	0.000	1	116.0476	6.745	109	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[6a]	4:4:3:1:	4:4:3:4:	4:3:3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-3:C-4:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,6]C[5,6]C[6a]H)2(C[5,5]C[5,5,6]O)(CH3)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)2(C[5,5]C[5,5,6]O)(CH3){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	115.1480	0.000	1	115.1480	0.000	1	114.9625	0.069	2	114.9625	0.069	2	116.0476	6.745	109	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[6a]	4:4:3:1:	4:4:3:4:	4:3:3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-3:C-4:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,6]C[5,6]C[6a]H)2(C[5,5]C[5,5,6]O)(CH3)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)2(C[5,5]C[5,5,6]O)(CH3){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,4|H<1>}	114.7770	0.000	1	114.7770	0.000	1	114.9625	0.069	2	114.9625	0.069	2	116.0476	6.745	109	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5,6]2C)(C[5,5,6]C[5,5,6]2H)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5,6]N[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)	C[6a](C[5,6]C[5,5,6]2H)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5,6]2C)(C[5,5,6]C[5,5,6]2H)(C[6a]C[6a]2)(H){2|C<3>,2|N<3>,3|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5,6]N[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H){1|N<3>,2|H<1>,3|C<4>,5|C<3>}	C[6a](C[5,6]C[5,5,6]2H)(C[6a]C[6a]H)2{2|C<3>,3|H<1>,4|C<4>}	117.7922	0.495	4	117.7922	0.245	4	117.7922	0.245	4	117.2573	6.609	17	116.0476	6.745	109	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,5]C[5a]C[5]O[5])(C[5,6]C[5,6]C[6a]H)(C[5,6]C[5]C[6]H)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,3|C<3>,7|H<1>}	C[5,5,6](C[5,5]C[5a]C[5]O[5])(C[5,6]C[5,6]C[6a]H)(C[5,6]C[5]C[6]H)(H){1|C<4>,2|O<2>,3|C<3>,6|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2{1|N<2>,4|C<4>,4|H<1>}	117.9180	0.000	1	117.9180	0.000	1	117.9180	0.000	1	117.2573	6.609	17	116.0476	6.745	109	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:Cl-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(Cl)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,2|C<3>,7|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(Cl){2|C<3>,5|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,3|C<4>,4|H<1>}	115.5520	0.000	1	115.5520	0.000	1	115.5520	0.000	1	117.2573	6.609	17	116.0476	6.745	109	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[5,6a]C[6a])(H)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[5,6a]C[6a])(H){1|O<2>,2|C<4>,4|C<3>,5|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<3>,4|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	117.7870	0.000	1	117.7870	0.000	1	117.7870	0.000	1	117.2573	6.609	17	116.0476	6.745	109	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BrN)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrH)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BrN)(C[6a]C[6a]2)(H){1|Br<1>,1|C<4>,2|C<3>,6|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrH)(H){1|Br<1>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<3>,1|N<3>,3|C<4>,3|H<1>}	115.2210	0.000	1	115.2210	0.000	1	117.3539	16.377	7	117.2573	6.609	17	116.0476	6.745	109	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(H){2|C<4>,3|C<3>,5|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(H){3|H<1>,4|C<3>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	113.6170	0.498	2	113.6170	0.248	2	117.3539	16.377	7	117.2573	6.609	17	116.0476	6.745	109	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(H){2|C<3>,2|C<4>,6|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<3>,4|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	117.3690	0.000	1	117.3690	0.000	1	117.3539	16.377	7	117.2573	6.609	17	116.0476	6.745	109	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[5a]H)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[5a]H)(C[6a]C[6a]2)(H){1|C<4>,1|F<1>,1|N<2>,1|O<2>,2|C<3>,6|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<3>,4|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	115.7760	0.000	1	115.7760	0.000	1	117.3539	16.377	7	117.2573	6.609	17	116.0476	6.745	109	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]Cl)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H){2|Cl<1>,1|C<4>,4|C<3>,5|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<3>,4|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]Cl)2{2|Cl<1>,1|C<3>,1|N<2>,2|H<1>,3|C<4>}	122.3590	0.000	1	122.3590	0.000	1	117.3539	16.377	7	117.2573	6.609	17	116.0476	6.745	109	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]PdH)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]C)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]PdH)(C[6a]C[6a]2)(H){2|C<3>,3|C<4>,5|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|Pd<4>,2|C<3>,4|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]C)2{1|Pd<4>,1|C<3>,3|C<4>,4|H<1>}	123.5180	0.000	1	123.5180	0.000	1	117.3539	16.377	7	117.2573	6.609	17	116.0476	6.745	109	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,6]C[5,6]C[6a]H)2(C[5,5]C[5,5,6]HH)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(H){2|C<4>,3|C<3>,5|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)2(C[5,5]C[5,5,6]HH)(H){3|H<1>,6|C<3>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	116.5665	0.329	2	116.5665	0.108	2	116.5665	0.108	2	117.2573	6.609	17	116.0476	6.745	109	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:N[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(N[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H){1|C<3>,1|C<4>,1|N<2>,7|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(N[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<3>,5|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|N<4>,2|C<4>,4|H<1>}	116.3380	0.000	1	116.3380	0.000	1	116.3380	0.000	1	117.2573	6.609	17	116.0476	6.745	109	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[6a]	4:4:3:1:	4:4:4:3:	4:3:3:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:C-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5,6]2C)(C[5,5,6]C[5,5,6]2H)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,5,6]C[5,5,6]N[5,6]H)2(C[5,6]C[5,5,6]C[6a]H)(CCO)	C[6a](C[5,6]C[5,5,6]2H)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5,6]2C)(C[5,5,6]C[5,5,6]2H)(C[6a]C[6a]2)(H){2|C<3>,2|N<3>,3|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5,6]H)2(C[5,6]C[5,5,6]C[6a]H)(CCO){2|C<3>,3|H<1>,5|C<4>}	C[6a](C[5,6]C[5,5,6]2H)(C[6a]C[6a]H)2{2|C<3>,3|H<1>,4|C<4>}	120.2000	0.552	4	120.2000	0.305	4	120.2000	0.305	4	119.5926	2.073	5	116.0476	6.745	109	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[6a]	4:4:3:1:	4:4:4:3:	4:3:3:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:C[5]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[5]N[5]HH)(C[5]C[5]O)	C[6a](C[5,6]C[5,5,6]2H)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,4|C<3>,8|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[5]N[5]HH)(C[5]C[5]O){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[5,6]C[5,5,6]2H)(C[6a]C[6a]H)2{1|Cl<1>,2|H<1>,3|C<3>,3|C<4>}	117.1630	0.000	1	117.1630	0.000	1	117.1630	0.000	1	119.5926	2.073	5	116.0476	6.745	109	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[6a]	4:4:3:1:	4:4:4:4:	4:3:3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){2|C<3>,5|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,3|H<1>,5|C<4>}	119.8520	0.000	1	119.8520	0.000	1	118.4493	1.490	3	118.0053	0.874	7	116.0476	6.745	109	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[6a]	4:4:3:1:	4:4:4:4:	4:3:3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HN)(CH3)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HN)(CH3){2|C<3>,5|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2{1|C<3>,4|C<4>,4|H<1>}	117.7480	0.173	2	117.7480	0.030	2	118.4493	1.490	3	118.0053	0.874	7	116.0476	6.745	109	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[6a]	4:4:3:1:	4:4:4:4:	4:3:3:	C[5,5,6]-4:P[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(P[5,6]O[5]O[6]Cr)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,6]P[5,6]C[6a]H)(C[5,5]C[5]O[5]C)(C[5,6]C[5]C[6]C)(CH3)	C[6a](C[5,6]C[5,5,6]P[5,6]H)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(P[5,6]O[5]O[6]Cr)(C[6a]C[6a]2)(H){2|H<1>,3|C<4>,4|C<3>}	C[5,5,6](C[5,6]P[5,6]C[6a]H)(C[5,5]C[5]O[5]C)(C[5,6]C[5]C[6]C)(CH3){1|Cr<6>,1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6a](C[5,6]C[5,5,6]P[5,6]H)(C[6a]C[6a]H)2{1|Cr<6>,1|C<3>,2|H<1>,2|O<2>,3|C<4>}	118.0950	0.000	1	118.0950	0.000	1	117.6723	0.410	4	118.0053	0.874	7	116.0476	6.745	109	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[6a]	4:4:3:1:	4:4:4:4:	4:3:3:	C[5,5,6]-4:P[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(P[5,6]O[5]O[6]Mo)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,6]P[5,6]C[6a]H)(C[5,5]C[5]O[5]C)(C[5,6]C[5]C[6]C)(CH3)	C[6a](C[5,6]C[5,5,6]P[5,6]H)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(P[5,6]O[5]O[6]Mo)(C[6a]C[6a]2)(H){2|H<1>,3|C<4>,4|C<3>}	C[5,5,6](C[5,6]P[5,6]C[6a]H)(C[5,5]C[5]O[5]C)(C[5,6]C[5]C[6]C)(CH3){1|Mo<6>,1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6a](C[5,6]C[5,5,6]P[5,6]H)(C[6a]C[6a]H)2{1|Mo<6>,1|C<3>,2|H<1>,2|O<2>,3|C<4>}	117.5735	0.991	2	117.5735	0.981	2	117.6723	0.410	4	118.0053	0.874	7	116.0476	6.745	109	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[6a]	4:4:3:1:	4:4:4:4:	4:3:3:	C[5,5,6]-4:P[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(P[5,6]O[5]O[6]W)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,6]P[5,6]C[6a]H)(C[5,5]C[5]O[5]C)(C[5,6]C[5]C[6]C)(CH3)	C[6a](C[5,6]C[5,5,6]P[5,6]H)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(P[5,6]O[5]O[6]W)(C[6a]C[6a]2)(H){2|H<1>,3|C<4>,4|C<3>}	C[5,5,6](C[5,6]P[5,6]C[6a]H)(C[5,5]C[5]O[5]C)(C[5,6]C[5]C[6]C)(CH3){1|H<1>,1|O<2>,1|W<6>,2|C<4>,3|C<3>}	C[6a](C[5,6]C[5,5,6]P[5,6]H)(C[6a]C[6a]H)2{1|C<3>,1|W<6>,2|H<1>,2|O<2>,3|C<4>}	117.4470	0.000	1	117.4470	0.000	1	117.6723	0.410	4	118.0053	0.874	7	116.0476	6.745	109	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[6a]	4:4:3:2:	4:4:4:4:	4:3:3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:O-2:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(C[6a]C[6a]2)(OH)	C[5,5,6](C[5,6]C[5,6]C[6a]O)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(CH3)	C[6a](C[5,6]C[5,5,6]C[5,6]O)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(C[6a]C[6a]2)(OH){1|C<4>,3|C<3>,6|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]O)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(CH3){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]O)(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>,6|C<4>}	114.6490	0.000	1	115.2155	0.642	2	116.4768	1.079	23	116.4768	1.079	23	116.0476	6.745	109	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[6a]	4:4:3:2:	4:4:4:4:	4:3:3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:O-2:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(C[6a]C[6a]2)(OH)	C[5,5,6](C[5,6]C[5,6]C[6a]O)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(CH3)	C[6a](C[5,6]C[5,5,6]C[5,6]O)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(C[6a]C[6a]2)(OH){1|C<4>,3|C<3>,6|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]O)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(CH3){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]O)(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>,6|C<4>}	115.7820	0.000	1	115.2155	0.642	2	116.4768	1.079	23	116.4768	1.079	23	116.0476	6.745	109	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[6a]	4:4:3:2:	4:4:4:4:	4:3:3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:O-2:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(C[6a]C[6a]2)(OH)	C[5,5,6](C[5,6]C[5,6]C[6a]O)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(CH3)	C[6a](C[5,6]C[5,5,6]C[5,6]O)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(C[6a]C[6a]2)(OH){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]O)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(CH3){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]O)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|H<1>,6|C<4>}	115.6820	0.420	2	115.6820	0.176	2	116.4768	1.079	23	116.4768	1.079	23	116.0476	6.745	109	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[6a]	4:4:3:2:	4:4:4:4:	4:3:3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:O-2:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(C[6a]C[6a]2)(OP)	C[5,5,6](C[5,6]C[5,6]C[6a]O)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(CH3)	C[6a](C[5,6]C[5,5,6]C[5,6]O)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(C[6a]C[6a]2)(OP){1|C<4>,3|C<3>,6|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]O)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(CH3){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]O)(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>,6|C<4>}	116.8212	0.839	18	116.8212	0.705	18	116.4768	1.079	23	116.4768	1.079	23	116.0476	6.745	109	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[6a]	4:4:3:2:	4:4:4:4:	4:3:3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:O-2:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(OC[6])	C[5,5,6](C[5,6]C[5,6]C[6a]O)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	C[6a](C[5,6]C[5,5,6]C[5,6]O)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(OC[6]){2|C<3>,3|C<4>,5|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]O)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){2|C<3>,5|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]O)(C[6a]C[6a]H)2{1|C<3>,4|C<4>,4|H<1>}	114.3890	0.000	1	114.3890	0.000	1	116.4768	1.079	23	116.4768	1.079	23	116.0476	6.745	109	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5]	C[6,6a]	3:3:4:1:	4:3:3:4:	4:3:3:	C[6,6a]-3:N[5,6]-3:C[5,5]-4:H-1:	C[5,6]-4:C[5]-3:C[5]-3:C[5]-4:	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[6,6a]C[5])(C[5,5]C[5]3)(H)	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6a]O)2(C[5]C[5]HH)	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6,6a]C[5])(C[5,5]C[5]3)(H){2|O<1>,5|H<1>,6|C<3>}	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6a]O)2(C[5]C[5]HH){2|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	119.4800	0.000	1	119.4800	0.000	1	119.4800	0.000	1	119.4800	0.000	1	115.0345	9.864	52	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5]	C[6,6a]	3:3:4:1:	4:4:3:3:	4:3:3:	C[6,6a]-3:N[5,6]-3:C[5,5]-4:H-1:	C[5,6]-4:C[5]-4:C[5]-3:C[5]-3:	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[5,6]C[5])(C[5,5]C[5]3)(H)	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5,5]C[5]3)(H){1|C<2>,1|C<4>,1|O<2>,2|O<1>,4|H<1>,5|C<3>}	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2{1|C<2>,1|C<4>,1|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){3|C<4>,3|H<1>,4|C<3>}	116.9200	0.000	1	116.9200	0.000	1	116.1700	0.233	5	116.1700	0.233	5	115.0345	9.864	52	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5]	C[6,6a]	3:3:4:1:	4:4:3:3:	4:3:3:	C[6,6a]-3:N[5,6]-3:C[5,5]-4:H-1:	C[5,6]-4:C[5]-4:C[5]-3:C[5]-3:	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[5,6]C[5])(C[5,5]C[5]3)(H)	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[6a]C[5]H)(C[5]N[5]C)(C[5]N[5]O)	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5,5]C[5]3)(H){1|C<2>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[6a]C[5]H)(C[5]N[5]C)(C[5]N[5]O){1|C<2>,1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){3|C<4>,3|H<1>,4|C<3>}	115.9825	0.276	4	115.9825	0.076	4	116.1700	0.233	5	116.1700	0.233	5	115.0345	9.864	52	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5]	C[6,6a]	3:3:4:1:	4:4:4:3:	4:3:3:	C[6,6a]-3:N[5,6]-3:C[5,5]-4:H-1:	C[5,6]-4:C[5]-4:C[5]-4:C[5]-3:	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[5,5]C[6])(C[5,5]C[5]3)(H)	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(C[5]N[5]O)	C[6,6a](C[5,6]C[5,5]N[5,6]H)(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[5,5]C[6])(C[5,5]C[5]3)(H){1|C<4>,1|N<3>,1|O<1>,6|C<3>,6|H<1>}	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|O<1>,7|C<3>}	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,4|C<4>,4|H<1>}	120.7130	0.000	1	120.7130	0.000	1	120.7130	0.000	1	120.7130	0.000	1	115.0345	9.864	52	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5]	C[6,6a]	3:4:3:1:	4:3:3:3:	4:3:3:	C[6,6a]-3:C[5,5]-4:N[5,6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[5]-3:C[5]-3:	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[5,6a]C[5]2)(N[5,6]C[5]C[6])(H)	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)	C[6,6a](C[5,6]C[5,5]N[5,6]H)(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[5,6a]C[5]2)(N[5,6]C[5]C[6])(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	116.8285	0.582	2	116.8285	0.339	2	117.8893	3.545	3	117.8893	3.545	3	115.0345	9.864	52	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5]	C[6,6a]	3:4:3:1:	4:3:3:3:	4:3:3:	C[6,6a]-3:C[5,5]-4:N[5,6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[5]-3:C[5]-3:	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[5,6a]C[5]2)(N[5,6]C[6]N[5])(H)	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(C[5]N[5]O)	C[6,6a](C[5,6]C[5,5]N[5,6]H)(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[5,6a]C[5]2)(N[5,6]C[6]N[5])(H){1|H<1>,1|N<3>,1|O<1>,7|C<3>}	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(C[5]N[5]O){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|F<1>,1|N<2>,2|H<1>,5|C<3>}	120.0110	0.000	1	120.0110	0.000	1	117.8893	3.545	3	117.8893	3.545	3	115.0345	9.864	52	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5]	C[6,6a]	3:4:3:1:	4:3:4:3:	4:3:3:	C[6,6a]-3:C[5,5]-4:N[5,6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[5]-4:C[5]-3:	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[5,6a]C[5]2)(N[5,6]C[5,5]C[6])(H)	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)	C[6,6a](C[5,6]C[5,5]N[5,6]H)(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[5,6a]C[5]2)(N[5,6]C[5,5]C[6])(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,7|C<3>}	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O){1|C<4>,1|H<1>,7|C<3>}	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	118.2690	0.000	1	118.2690	0.000	1	117.1658	4.601	5	117.1658	4.601	5	115.0345	9.864	52	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5]	C[6,6a]	3:4:3:1:	4:3:4:3:	4:3:3:	C[6,6a]-3:C[5,5]-4:N[5,6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[5]-4:C[5]-3:	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[5,6a]C[5]2)(N[5,6]C[5,6]C[5])(H)	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,6]C[5])(H){1|C<2>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O){1|C<2>,1|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){3|C<4>,3|H<1>,4|C<3>}	119.8100	0.000	1	118.8220	1.952	2	117.1658	4.601	5	117.1658	4.601	5	115.0345	9.864	52	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5]	C[6,6a]	3:4:3:1:	4:3:4:3:	4:3:3:	C[6,6a]-3:C[5,5]-4:N[5,6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[5]-4:C[5]-3:	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[5,6a]C[5]2)(N[5,6]C[5,6]C[5])(H)	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,6]C[5])(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>,6|C<3>}	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O){1|C<4>,3|H<1>,7|C<3>}	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){3|C<4>,3|H<1>,4|C<3>}	117.8340	0.000	1	118.8220	1.952	2	117.1658	4.601	5	117.1658	4.601	5	115.0345	9.864	52	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5]	C[6,6a]	3:4:3:1:	4:3:4:3:	4:3:3:	C[6,6a]-3:C[5,5]-4:N[5,6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[5]-4:C[5]-3:	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[5,6a]C[5]2)(N[5,6]C[5]C[6])(H)	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)	C[6,6a](C[5,6]C[5,5]N[5,6]H)(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[5,6a]C[5]2)(N[5,6]C[5]C[6])(H){1|N<3>,1|O<1>,4|H<1>,7|C<3>}	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O){3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	114.9580	0.000	2	114.9580	0.000	2	117.1658	4.601	5	117.1658	4.601	5	115.0345	9.864	52	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5]	C[6,6a]	3:4:3:3:	4:3:3:3:	4:3:3:	C[6,6a]-3:C[5,5]-4:N[5,6]-3:C-3:	C[5,6]-4:C[5,6a]-3:C[5,6a]-3:C[5]-3:	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[5,6a]2C[5])(N[5,6]C[5]C[6])(CCH)	C[5,5](C[5,6]C[6,6a]N[5,6]C)(C[5,6a]C[5,6a]C[6a])2(C[5]C[5]C)	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[5,6a]2C[5])(N[5,6]C[5]C[6])(CCH){1|C<4>,3|H<1>,8|C<3>}	C[5,5](C[5,6]C[6,6a]N[5,6]C)(C[5,6a]C[5,6a]C[6a])2(C[5]C[5]C){1|C<4>,2|H<1>,7|C<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){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	112.6340	0.000	1	112.6340	0.000	1	112.6340	0.000	1	112.6340	0.000	1	115.0345	9.864	52	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5]	C[6,6a]	3:4:3:4:	4:4:2:1:	4:3:3:	C[6,6a]-3:C[5,5]-4:N[5,6]-3:C-4:	C[5,6]-4:C[5,5]-4:O[5]-2: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[5,5]C[5,5]O[5]H)(N[5,6]C[5]C[6])(CF3)	C[5,5](C[5,6]C[6,6a]N[5,6]C)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	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[5,5](C[5,6]C[6,6a]N[5,6]C)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|O<1>,2|C<3>,3|C<4>}	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>}	113.9280	0.000	1	114.6073	0.373	3	114.6073	0.373	3	114.6073	0.373	3	115.0345	9.864	52	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5]	C[6,6a]	3:4:3:4:	4:4:2:1:	4:3:3:	C[6,6a]-3:C[5,5]-4:N[5,6]-3:C-4:	C[5,6]-4:C[5,5]-4:O[5]-2: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[5,5]C[5,5]O[5]H)(N[5,6]C[5]C[6])(CF3)	C[5,5](C[5,6]C[6,6a]N[5,6]C)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	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[5,5](C[5,6]C[6,6a]N[5,6]C)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|O<1>,2|C<3>,3|C<4>}	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>}	114.9470	0.232	2	114.6073	0.373	3	114.6073	0.373	3	114.6073	0.373	3	115.0345	9.864	52	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5]	C[6,6a]	3:4:4:1:	4:2:3:2:	4:3:3:	C[6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:O[5]-2:C[5]-3:O[5]-2:	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]O[5]2)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5,6])(C[5]C[5]H)(O[5]C[5])	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]O[5]2)(C[5,6]C[5,6]HH)(H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[5,5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5,6])(C[5]C[5]H)(O[5]C[5]){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<4>,2|C<3>,3|O<2>,5|H<1>}	109.2080	0.000	1	109.2080	0.000	1	109.2080	0.000	1	109.2080	0.000	1	115.0345	9.864	52	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5]	C[6,6a]	3:4:4:1:	4:3:2:1:	4:3:3:	C[6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:C[5,5]-3:O[5]-2: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[5,5]C[5,5]O[5]H)(C[5,6]C[5]C[6]C)(H)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5,6a]C[5])(O[5]C[5,6a])(H)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]O[5]H)(C[5,6]C[5]C[6]C)(H){1|N<3>,4|C<3>,4|H<1>}	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5,6a]C[5])(O[5]C[5,6a])(H){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<2>,1|S<4>,2|H<1>,4|C<3>}	117.2590	0.000	1	117.2590	0.000	1	117.2590	0.000	1	116.5610	0.974	2	115.0345	9.864	52	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5]	C[6,6a]	3:4:4:1:	4:3:2:1:	4:3:3:	C[6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:C[5,5]-3:S[5]-2: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[5,5]C[5,5]S[5]H)(C[5,6]C[5]C[6]C)(H)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5,6a]C[5])(S[5]C[5,6a])(H)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]S[5]H)(C[5,6]C[5]C[6]C)(H){1|N<3>,4|C<3>,4|H<1>}	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5,6a]C[5])(S[5]C[5,6a])(H){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|S<2>,1|S<4>,3|H<1>,4|C<3>}	115.8630	0.000	1	115.8630	0.000	1	115.8630	0.000	1	116.5610	0.974	2	115.0345	9.864	52	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5]	C[6,6a]	3:4:4:1:	4:3:2:2:	4:3:3:	C[6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:C[5]-3:N[5]-2:O[5]-2:	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]N[5]O[5])(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,5]H)(N[5]C[5,5])(O[5]C[5,6])	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]N[5]O[5])(C[5,6]C[5,6]HH)(H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,5]H)(N[5]C[5,5])(O[5]C[5,6]){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<4>,1|N<2>,2|C<3>,2|O<2>,5|H<1>}	109.7280	0.000	1	109.7280	0.000	1	109.7280	0.000	1	109.7280	0.000	1	115.0345	9.864	52	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5]	C[6,6a]	3:4:4:1:	4:3:4:3:	4:3:3:	C[6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[5]-4:C[5]-3:	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[5,6a]C[5]2)(C[5,6]C[6]O[5]H)(H)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(C[5]N[5]O)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(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[5,6a]C[5]2)(C[5,6]C[6]O[5]H)(H){1|N<3>,1|O<1>,5|C<3>,5|H<1>}	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(C[5]N[5]O){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	114.0180	0.000	1	114.0180	0.000	1	114.0180	0.000	1	114.0180	0.000	1	115.0345	9.864	52	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5]	C[6,6a]	3:4:4:1:	4:4:3:3:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5,5]-4:H-1:	C[5,6]-4:C[5]-4:C[5]-3:C[5]-3:	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[5,5]C[5]3)(H)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]N[5]H)(C[5]C[5,6a]O)2	C[6,6a](C[5,6]C[5,5]C[5,6]H)(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[6]N[5]C)(C[5,5]C[5]3)(H){1|O<2>,3|H<1>,3|O<1>,5|C<3>}	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]N[5]H)(C[5]C[5,6a]O)2{1|H<1>,8|C<3>}	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	116.5930	0.000	1	116.5930	0.000	1	116.5930	0.000	1	116.5930	0.000	1	115.0345	9.864	52	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5]	C[6,6a]	3:4:4:2:	4:4:2:1:	4:3:3:	C[6,6a]-3:C[5,5]-4:C[5,6]-4:O-2:	C[5,6]-4:C[5,5]-4:N[5]-2: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[5,5]C[5,5]N[5]H)(C[5,6]C[5]C[6]H)(OSi)	C[5,5](C[5,6]C[6,6a]C[5,6]O)(C[5,5]C[5]2H)(N[5]N[5])(H)	C[6,6a](C[5,6]C[5,5]C[5,6]O)(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]N[5]H)(C[5,6]C[5]C[6]H)(OSi){1|N<2>,2|C<3>,2|C<4>,6|H<1>}	C[5,5](C[5,6]C[6,6a]C[5,6]O)(C[5,5]C[5]2H)(N[5]N[5])(H){1|C<4>,2|C<3>,5|H<1>}	C[6,6a](C[5,6]C[5,5]C[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,3|C<4>,6|H<1>}	118.5440	0.000	1	118.5440	0.000	1	118.5440	0.000	1	118.5440	0.000	1	115.0345	9.864	52	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5]	C[6,6a]	4:3:3:1:	4:3:4:3:	4:3:3:	C[5,5]-4:C[6,6a]-3:N[5,6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[5,5]-4:N-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,5]C[5,6a]C[5,5]N)(C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(H)	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(NOO)	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,5]C[5,6a]C[5,5]N)(C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(H){1|C<4>,1|N<3>,1|S<4>,4|C<3>,4|H<1>}	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(NOO){1|C<4>,1|H<1>,1|S<4>,5|C<3>}	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|N<3>,4|H<1>}	116.9220	0.000	1	116.9220	0.000	1	116.9220	0.000	1	116.3900	0.566	2	115.0345	9.864	52	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5]	C[6,6a]	4:3:3:1:	4:3:4:3:	4:3:3:	C[5,5]-4:C[6,6a]-3:N[5,6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[5]-4:N[5]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(H)	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(N[5]C[5]C)	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(H){1|O<1>,2|C<4>,5|C<3>,5|H<1>}	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(N[5]C[5]C){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	115.8580	0.000	1	115.8580	0.000	1	115.8580	0.000	1	116.3900	0.566	2	115.0345	9.864	52	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5]	C[6,6a]	4:3:3:4:	3:4:3:3:	4:3:3:	C[5,5]-4:C[6,6a]-3:C[6,6a]-3:C[5]-4:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])2(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]2C[5])(C[5]N[5]O)(N[5]C[5]C)	C[6,6a](C[5,6]C[6,6a]C[5,5]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])2(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,4|H<1>,7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]2C[5])(C[5]N[5]O)(N[5]C[5]C){6|C<3>,6|H<1>}	C[6,6a](C[5,6]C[6,6a]C[5,5]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	109.3325	2.096	4	109.3325	4.394	4	109.3325	4.394	4	109.3325	4.394	4	115.0345	9.864	52	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5]	C[6,6a]	4:3:4:1:	3:4:3:3:	4:3:3:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6a]-3:C[5,6]-4:N[5,5]-3:C[5]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]N)(H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[6,6a]C[5,6]H)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]N)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[6,6a]C[5,6]H)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O){1|N<3>,1|S<2>,2|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,2|N<3>,3|C<3>}	113.9930	0.000	1	114.2895	0.176	2	114.2895	0.176	2	113.9010	0.541	3	115.0345	9.864	52	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5]	C[6,6a]	4:3:4:1:	3:4:3:3:	4:3:3:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6a]-3:C[5,6]-4:N[5,5]-3:C[5]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]N)(H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[6,6a]C[5,6]H)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]N)(H){1|O<1>,1|O<2>,3|C<4>,3|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[6,6a]C[5,6]H)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O){1|N<3>,1|S<2>,2|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,2|N<3>,3|C<3>}	114.5860	0.000	1	114.2895	0.176	2	114.2895	0.176	2	113.9010	0.541	3	115.0345	9.864	52	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5]	C[6,6a]	4:3:4:1:	3:4:3:3:	4:3:3:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6a]-3:C[5,6]-4:N[5,6]-3:C[5]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,5]C[5,6a]N[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]N)(H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[6,6a]C[5,6]H)(N[5,6]C[5,6]C[6])(C[5]C[5,6a]O)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,5]C[5,6a]N[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]N)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[6,6a]C[5,6]H)(N[5,6]C[5,6]C[6])(C[5]C[5,6a]O){1|N<3>,3|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,2|N<3>,3|C<3>}	113.1240	0.000	1	113.1240	0.000	1	113.1240	0.000	1	113.9010	0.541	3	115.0345	9.864	52	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5]	C[6,6a]	4:3:4:1:	4:3:2:3:	4:3:3:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,6a]-3:O[5]-2:C[5]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,5]C[5,6a]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(C[5]N[5]O)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,5]C[5,6a]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,5|C<3>}	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(C[5]N[5]O){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	110.1520	0.000	1	110.3080	0.049	2	110.3080	0.049	2	110.3080	0.049	2	115.0345	9.864	52	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5]	C[6,6a]	4:3:4:1:	4:3:2:3:	4:3:3:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,6a]-3:O[5]-2:C[5]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,5]C[5,6a]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(C[5]N[5]O)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,5]C[5,6a]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(C[5]N[5]O){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	110.4640	0.000	1	110.3080	0.049	2	110.3080	0.049	2	110.3080	0.049	2	115.0345	9.864	52	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5]	C[6,6a]	4:3:4:1:	4:3:3:2:	4:3:3:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[5]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,5]C[5,6a]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O[5]C[5])	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,5]C[5,6a]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>,3|O<1>,4|C<3>}	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|O<2>,3|H<1>,5|C<3>}	115.7610	0.000	1	115.7610	0.000	1	115.7610	0.000	1	115.7610	0.000	1	115.0345	9.864	52	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5]	C[6,6a]	4:3:4:1:	4:3:3:3:	4:3:3:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[5,6a]-3:N[5,5]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,5]C[5,6a]2N[5,5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]N)(H)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,5]C[5,6a]2N[5,5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]N)(H){1|N<2>,1|O<2>,2|C<4>,3|H<1>,6|C<3>}	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5]){1|N<2>,1|N<3>,1|S<2>,2|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,2|N<3>,3|C<3>}	116.4090	0.000	1	116.6370	0.104	2	116.6370	0.104	2	116.2921	3.766	11	115.0345	9.864	52	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5]	C[6,6a]	4:3:4:1:	4:3:3:3:	4:3:3:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[5,6a]-3:N[5,5]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,5]C[5,6a]2N[5,5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]N)(H)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,5]C[5,6a]2N[5,5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]N)(H){1|N<2>,1|O<2>,3|C<4>,3|H<1>,5|C<3>}	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5]){1|N<2>,1|N<3>,3|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,2|N<3>,3|C<3>}	116.8650	0.000	1	116.6370	0.104	2	116.6370	0.104	2	116.2921	3.766	11	115.0345	9.864	52	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5]	C[6,6a]	4:3:4:1:	4:3:3:3:	4:3:3:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(H)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]C)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,2|N<3>,3|C<3>}	118.0330	0.000	1	118.0330	0.000	1	117.2407	0.600	4	116.2921	3.766	11	115.0345	9.864	52	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5]	C[6,6a]	4:3:4:1:	4:3:3:3:	4:3:3:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(H)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]H)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(H){1|N<3>,1|O<1>,1|O<2>,1|S<1>,3|H<1>,5|C<3>}	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]H){1|H<1>,1|N<3>,1|S<1>,2|C<4>,4|C<3>}	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|N<3>,4|C<3>}	117.2375	0.745	2	116.9767	0.481	3	117.2407	0.600	4	116.2921	3.766	11	115.0345	9.864	52	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5]	C[6,6a]	4:3:4:1:	4:3:3:3:	4:3:3:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(H)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]H)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(H){1|N<3>,1|O<1>,1|O<2>,5|C<3>,5|H<1>}	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]H){1|N<3>,2|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,2|N<3>,3|C<3>}	116.4550	0.000	1	116.9767	0.481	3	117.2407	0.600	4	116.2921	3.766	11	115.0345	9.864	52	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5]	C[6,6a]	4:3:4:1:	4:3:3:3:	4:3:3:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,6a]-3:N[5,5]-3:C[5]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]H)(H)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]N[5]O)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]H)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]N[5]O){1|C<4>,1|S<2>,5|C<3>,6|H<1>}	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	116.5670	0.481	2	116.5670	0.231	2	116.5670	0.231	2	116.2921	3.766	11	115.0345	9.864	52	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5]	C[6,6a]	4:3:4:1:	4:3:3:3:	4:3:3:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,6a]-3:N[5,6]-3:C[5]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,5]C[5,6a]N[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]N)(H)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]N[5]O)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,5]C[5,6a]N[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]N)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>,5|C<3>}	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]N[5]O){1|N<3>,3|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,2|N<3>,3|C<3>}	115.9335	3.556	2	115.9335	12.645	2	115.9335	12.645	2	116.2921	3.766	11	115.0345	9.864	52	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5]	C[6,6a]	4:3:4:1:	4:3:3:3:	4:3:3:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,6a]-3:N[5]-3:C[5]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C)(C[5]N[5]O)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,6|C<3>}	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C)(C[5]N[5]O){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	111.9750	0.000	1	111.9750	0.000	1	111.9750	0.000	1	116.2921	3.766	11	115.0345	9.864	52	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5]	C[6,6a]	4:3:4:1:	4:3:4:2:	4:3:2:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[3x5]-4:C[5,6a]-3:C[5,6]-4:O-2:	C[5,6]-4:C[6,6a]-3:N[6a]-2:	C[5,6](C[5,5]C[5,6a]C[3x5]O)(C[6,6a]C[6,6a]N[6a])(C[5,6]C[5,5,6]HH)(H)	C[5,5](C[3x5]C[5,5,6]C[5,6a]N[5])(C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[6,6a]C[5,6]H)(OH)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	C[5,6](C[5,5]C[5,6a]C[3x5]O)(C[6,6a]C[6,6a]N[6a])(C[5,6]C[5,5,6]HH)(H){1|C<4>,1|N<3>,6|C<3>}	C[5,5](C[3x5]C[5,5,6]C[5,6a]N[5])(C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[6,6a]C[5,6]H)(OH){1|N<2>,3|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	112.8840	0.000	1	112.8840	0.000	1	112.8840	0.000	1	112.8840	0.000	1	115.0345	9.864	52	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5]	C[6,6a]	4:3:4:3:	4:3:4:1:	4:3:3:	C[5,5]-4:C[6,6a]-3:C[5]-4:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[5,5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HO)(C[6]C[6]O)	C[5,5](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(H)	C[6,6a](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HO)(C[6]C[6]O){2|C<4>,4|C<3>,6|H<1>}	C[5,5](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(H){1|C<4>,1|O<1>,2|O<2>,4|C<3>,5|H<1>}	C[6,6a](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	111.6485	0.432	2	111.6485	0.187	2	111.6485	0.187	2	111.6485	0.187	2	115.0345	9.864	52	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5]	C[6a]	3:4:3:4:	4:4:3:1:	4:3:3:	N[5,5,6]-3:C[5,5]-4:C[6a]-3:C[6]-4:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](N[5,5,6]C[5,6]N[5,5])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[5,5](C[5,6]N[5,5,6]C[6a]C[6])(C[5,5]N[5,5]C[5]H)(C[5]N[5]O)(H)	C[6a](C[5,6]N[5,5,6]C[5,5]C[6])(C[6a]C[6a]H)2	C[5,6](N[5,5,6]C[5,6]N[5,5])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<4>,4|C<3>,6|H<1>}	C[5,5](C[5,6]N[5,5,6]C[6a]C[6])(C[5,5]N[5,5]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6]N[5,5,6]C[5,5]C[6])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,5|H<1>}	111.6500	0.000	1	111.6500	0.000	1	111.6500	0.000	1	111.6500	0.000	1	113.0396	2.443	5	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5]	C[6a]	4:2:3:4:	4:3:4:1:	4:3:3:	C[5,5]-4:O[5,6]-2:C[6a]-3:C[6]-4:	C[5,6]-4:C[5,6a]-3:C[5,5]-4:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5]C[5,6a]C[5,5]H)(O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[5,5](C[5,6]O[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5]H)(H)	C[6a](C[5,6]C[5,5]O[5,6]C[6])(C[6a]C[6a]H)2	C[5,6](C[5,5]C[5,6a]C[5,5]H)(O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,5|C<3>,6|H<1>}	C[5,5](C[5,6]O[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5]H)(H){2|C<4>,4|H<1>,5|C<3>}	C[6a](C[5,6]C[5,5]O[5,6]C[6])(C[6a]C[6a]H)2{2|C<3>,3|C<4>,5|H<1>}	112.8750	0.000	1	112.8750	0.000	1	112.8750	0.000	1	112.8750	0.000	1	113.0396	2.443	5	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5]	C[6a]	4:3:3:2:	4:3:3:4:	4:3:3:	C[5,5]-4:N[5,6]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5]C[5,6a]2C[5])(N[5,6]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6])	C[5,5](C[5,6]N[5,6]C[6a]O[6])(C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5]C)	C[6a](C[5,6]C[5,5]N[5,6]O[6])(C[6a]C[6a]H)2	C[5,6](C[5,5]C[5,6a]2C[5])(N[5,6]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6]){10|C<3>,2|H<1>,2|O<1>}	C[5,5](C[5,6]N[5,6]C[6a]O[6])(C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5]C){10|C<3>,1|O<1>,2|H<1>}	C[6a](C[5,6]C[5,5]N[5,6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,6|C<3>}	115.7190	0.000	1	115.7190	0.000	1	115.7190	0.000	1	115.7190	0.000	1	113.0396	2.443	5	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,5]	C[6a]	4:3:3:2:	4:4:3:1:	4:3:3:	C[5,5]-4:C[5,6]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[5,5]-4:N[5]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[6,6a]C[5])(C[6a]C[6a]2)(O[6]C[6])	C[5,5](C[5,6]C[5,6]C[6a]O[6])(C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(H)	C[6a](C[5,6]C[5,5]C[5,6]O[6])(C[6a]C[6a]H)2	C[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[6,6a]C[5])(C[6a]C[6a]2)(O[6]C[6]){1|S<4>,5|H<1>,7|C<3>}	C[5,5](C[5,6]C[5,6]C[6a]O[6])(C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(H){1|C<4>,6|C<3>}	C[6a](C[5,6]C[5,5]C[5,6]O[6])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	112.4770	0.037	2	112.4770	0.001	2	112.4770	0.001	2	112.4770	0.001	2	113.0396	2.443	5	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6,6]	C[6a]	4:3:2:2:	4:3:4:1:	4:3:3:	C[5,6,6]-4:C[6a]-3:O[5]-2:O[6]-2:	C[5,6]-4:C[5,6]-3:C[6,6]-4:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(O[5]C[5])(O[6]B[6])	C[5,6,6](C[5,6]C[6a]O[5]O[6])(C[5,6]C[5]P[6])(C[6,6]C[6]2H)(H)	C[6a](C[5,6]C[5,6,6]O[5]O[6])(C[6a]C[6a]H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(O[5]C[5])(O[6]B[6]){1|P<4>,2|C<4>,3|H<1>,5|C<3>}	C[5,6,6](C[5,6]C[6a]O[5]O[6])(C[5,6]C[5]P[6])(C[6,6]C[6]2H)(H){1|B<4>,1|C<4>,4|H<1>,5|C<3>}	C[6a](C[5,6]C[5,6,6]O[5]O[6])(C[6a]C[6a]H)2{1|B<4>,1|C<4>,3|C<3>,3|H<1>}	111.3100	0.000	1	111.3100	0.000	1	111.3100	0.000	1	111.3100	0.000	1	114.2846	7.110	8	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6,6]	C[6a]	4:3:3:3:	4:3:3:3:	4:3:3:	C[5,6,6]-4:C[5,6]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5,6]-3:C[6,6]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6,6]C[5,6]C[6,6]C[6a])(C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,6,6](C[5,6]C[5,6]C[6a]C[5])(C[5,6]C[6,6a]C[5])(C[6,6]C[6,6a]C[6])(C[6a]C[6a]2)	C[6a](C[5,6]C[5,6,6]C[5,6]C[5])(C[6a]C[6a]H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]C[6a])(C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]O){11|C<3>,2|H<1>}	C[5,6,6](C[5,6]C[5,6]C[6a]C[5])(C[5,6]C[6,6a]C[5])(C[6,6]C[6,6a]C[6])(C[6a]C[6a]2){11|C<3>,1|O<1>,2|H<1>}	C[6a](C[5,6]C[5,6,6]C[5,6]C[5])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,7|C<3>}	114.0110	0.429	2	114.0110	0.184	2	114.0110	0.184	2	114.0110	0.184	2	114.2846	7.110	8	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6,6]	C[6a]	4:3:4:2:	4:4:4:1:	4:3:3:	C[5,6,6]-4:C[6a]-3:C[5]-4:O[6]-2:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(C[5]O[5]HH)(O[6]C[6])	C[5,6,6](C[5,6]C[6a]C[5]O[6])(C[6,6]C[6,6a]C[6]H)(C[5,6]N[6]O[5]H)(H)	C[6a](C[5,6]C[5,6,6]C[5]O[6])(C[6a]C[6a]H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(C[5]O[5]HH)(O[6]C[6]){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[5,6,6](C[5,6]C[6a]C[5]O[6])(C[6,6]C[6,6a]C[6]H)(C[5,6]N[6]O[5]H)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[5,6]C[5,6,6]C[5]O[6])(C[6a]C[6a]H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	110.8750	0.000	1	110.8750	0.000	1	110.8750	0.000	1	110.8750	0.000	1	114.2846	7.110	8	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6,6]	C[6a]	4:4:3:1:	4:4:3:4:	4:3:3:	C[3,5,6]-4:C[5,6,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-3:C-4:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]C)(C[5,6,6]C[5,6]C[6,6]C)(C[6a]C[6a]2)(H)	C[5,6,6](C[5,6]C[3,5,6]C[6a]H)(C[5,6]C[3,5,6]CH)(C[6,6]C[6,6]H)(CH3)	C[6a](C[5,6]C[3,5,6]C[5,6,6]H)(C[6a]C[6a]H)2	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]C)(C[5,6,6]C[5,6]C[6,6]C)(C[6a]C[6a]2)(H){1|C<4>,3|C<3>,6|H<1>}	C[5,6,6](C[5,6]C[3,5,6]C[6a]H)(C[5,6]C[3,5,6]CH)(C[6,6]C[6,6]H)(CH3){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[5,6]C[3,5,6]C[5,6,6]H)(C[6a]C[6a]H)2{2|C<3>,2|H<1>,5|C<4>}	112.6050	0.000	1	112.6050	0.000	1	112.6050	0.000	1	115.0770	12.222	2	114.2846	7.110	8	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6,6]	C[6a]	4:4:3:1:	4:4:3:4:	4:3:3:	C[5,5,6]-4:C[5,6,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[6]-3:C[6]-4:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]2)(C[6a]C[6a]2)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6]C[6,6a]O)(C[6]O[6]HH)	C[6a](C[5,6]C[5,5,6]C[5,6,6]H)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]2)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,4|C<3>,8|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6]C[6,6a]O)(C[6]O[6]HH){4|H<1>,5|C<3>}	C[6a](C[5,6]C[5,5,6]C[5,6,6]H)(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	117.5490	0.000	1	117.5490	0.000	1	117.5490	0.000	1	115.0770	12.222	2	114.2846	7.110	8	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6,6]	C[6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[5,6,6]-4:C[5,5,6]-4:C[6a]-3:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]C[5,6]C)(C[6a]C[6a]2)(H)	C[5,6,6](C[5,5,6,6]C[6,6a]C[5,5]C[5,6])(C[5,6]C[5,5,6]C[6a]H)(C[6]C[6]HH)(H)	C[6a](C[5,6]C[5,5,6]C[5,6,6]H)(C[6a]C[6a]H)2	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]C[5,6]C)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,4|C<3>,6|H<1>}	C[5,6,6](C[5,5,6,6]C[6,6a]C[5,5]C[5,6])(C[5,6]C[5,5,6]C[6a]H)(C[6]C[6]HH)(H){1|C<2>,4|H<1>,6|C<3>}	C[6a](C[5,6]C[5,5,6]C[5,6,6]H)(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	117.7300	0.000	1	117.7300	0.000	1	117.7300	0.000	1	117.7300	0.000	1	114.2846	7.110	8	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6,6]	C[6a]	4:4:3:2:	4:3:3:3:	4:3:3:	C[5,6,6]-4:C[6]-4:C[6a]-3:O[5]-2:	C[5,6]-4:N[6,6]-3:C[6]-3:N[5]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6,6]N[6,6]C[6]N[5])(C[6]C[6,6a]HO)(C[6a]C[6a]2)(O[5]C[5])	C[5,6,6](C[5,6]C[6a]C[6]O[5])(N[6,6]C[6,6a]C[6])(C[6]N[6]O)(N[5]C[5]H)	C[6a](C[5,6]C[5,6,6]C[6]O[5])(C[6a]C[6a]H)2	C[5,6](C[5,6,6]N[6,6]C[6]N[5])(C[6]C[6,6a]HO)(C[6a]C[6a]2)(O[5]C[5]){1|N<3>,1|O<1>,1|S<1>,3|H<1>,5|C<3>}	C[5,6,6](C[5,6]C[6a]C[6]O[5])(N[6,6]C[6,6a]C[6])(C[6]N[6]O)(N[5]C[5]H){1|H<1>,1|O<1>,1|O<2>,1|S<1>,2|C<4>,4|C<3>}	C[6a](C[5,6]C[5,6,6]C[6]O[5])(C[6a]C[6a]H)2{1|O<2>,2|N<3>,3|H<1>,4|C<3>}	116.1860	0.000	1	116.1860	0.000	1	116.1860	0.000	1	116.1860	0.000	1	114.2846	7.110	8	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:3:4:3:	3:3:4:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[5,6]-4:C[5]-3:	C[6,6a]-3:C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])2(C[5,6]C[6,6a]2C[5])(C[5]N[5]O)	C[5,6](C[6,6a]C[6,6a]C[6a])2(C[5,6]C[6,6a]2C[5])(C[5]N[5]O)	C[6,6a](C[5,6]C[6,6a]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])2(C[5,6]C[6,6a]2C[5])(C[5]N[5]O){1|O<1>,2|C<4>,2|H<1>,8|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])2(C[5,6]C[6,6a]2C[5])(C[5]N[5]O){1|O<1>,2|C<4>,2|H<1>,8|C<3>}	C[6,6a](C[5,6]C[6,6a]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	111.5840	0.796	4	111.5840	0.633	4	111.5840	0.633	4	111.5840	0.633	4	114.6874	11.564	45	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:1:	4:3:4:3:	4:3:3:	C[6,6a]-3:C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-4:C[5,6]-3:C[6]-4:C-3:	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]C[6]C)(N[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(COO)	C[6,6a](C[5,6]C[5,6]N[5,6]H)(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]C[6]C)(N[5,6]C[5]C[6])(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(COO){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	118.8240	0.000	1	118.6467	10.619	3	118.6467	10.619	3	118.6467	10.619	3	114.6874	11.564	45	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:1:	4:3:4:3:	4:3:3:	C[6,6a]-3:C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-4:C[5,6]-3:C[6]-4:C-3:	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]C[6]C)(N[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(COO)	C[6,6a](C[5,6]C[5,6]N[5,6]H)(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]C[6]C)(N[5,6]C[5]C[6])(H){1|S<1>,2|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(COO){1|S<1>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	115.3030	0.000	1	118.6467	10.619	3	118.6467	10.619	3	118.6467	10.619	3	114.6874	11.564	45	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:1:	4:3:4:3:	4:3:3:	C[6,6a]-3:C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-4:C[5,6]-3:C[6]-4:C-3:	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]C[6]C)(N[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(COO)	C[6,6a](C[5,6]C[5,6]N[5,6]H)(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]C[6]C)(N[5,6]C[5]C[6])(H){2|C<4>,3|C<3>,7|H<1>}	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(COO){2|C<3>,2|C<4>,5|H<1>}	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	121.8130	0.000	1	118.6467	10.619	3	118.6467	10.619	3	118.6467	10.619	3	114.6874	11.564	45	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:1:	4:4:4:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4: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]C[6]H)(N[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6,6a](C[5,6]C[5,6]N[5,6]H)(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]C[6]H)(N[5,6]C[5]C[6])(H){1|O<1>,2|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	117.3305	0.999	2	117.3305	0.998	2	117.3305	0.998	2	117.3305	0.998	2	114.6874	11.564	45	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:1:	4:4:4:3:	4:3:3:	C[6,6a]-3:C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-3:	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]C[6]C)(N[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5]C[6]S)(C[6]C[6]HH)(COO)	C[6,6a](C[5,6]C[5,6]N[5,6]H)(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]C[6]C)(N[5,6]C[5]C[6])(H){1|O<1>,1|S<2>,2|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5]C[6]S)(C[6]C[6]HH)(COO){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	117.1717	0.965	3	117.1717	0.931	3	117.8690	2.566	4	117.8690	2.566	4	114.6874	11.564	45	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:1:	4:4:4:3:	4:3:3:	C[6,6a]-3:C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-3:	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]C[6]C)(N[5,6]C[6]N[5])(H)	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[6]N[5]H)(C[6]O[6]HO)(COO)	C[6,6a](C[5,6]C[5,6]N[5,6]H)(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]C[6]C)(N[5,6]C[6]N[5])(H){1|C<4>,1|N<2>,1|S<4>,2|C<3>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[6]N[5]H)(C[6]O[6]HO)(COO){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	119.9610	0.000	1	119.9610	0.000	1	117.8690	2.566	4	117.8690	2.566	4	114.6874	11.564	45	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:3:	4:3:3:3:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6,6a]-3:C[5]-3:	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[6,6a]2C[5])(C[5]N[5]O)(C[6]C[6]H)	C[5,6](C[5,6]C[6,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])2(C[5]N[5]O)	C[6,6a](C[5,6]C[5,6]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]2C[5])(C[5]N[5]O)(C[6]C[6]H){1|O<1>,2|C<4>,2|H<1>,6|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])2(C[5]N[5]O){1|O<1>,2|C<4>,3|H<1>,7|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	110.4290	0.000	1	110.4290	0.000	1	110.4290	0.000	1	110.4290	0.000	1	114.6874	11.564	45	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:4:1:	4:4:3:2:	3:4:3:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:O-2:	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]O)(C[5,6]N[5,6]HH)(H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]N[5,6]C[6]H)(C[6]C[6]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2H)(C[6a]C[5,6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]O)(C[5,6]N[5,6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]N[5,6]C[6]H)(C[6]C[6]H)(OH){2|C<3>,2|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2H)(C[6a]C[5,6a]H){1|C<4>,1|N<3>,2|C<3>,2|O<2>,5|H<1>}	111.6370	0.000	1	111.6370	0.000	1	111.6370	0.000	1	111.6370	0.000	1	114.6874	11.564	45	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:4:1:	4:4:4:1:	3:4:3:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4: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]H)(C[5,6]C[6]O[5]H)(H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[6a]O[5]O[6])(C[6]C[6,6a]CH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[5,6]C[5,6]2H)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(H){1|C<4>,2|H<1>,3|O<2>,5|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[6a]O[5]O[6])(C[6]C[6,6a]CH)(H){1|C<4>,1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[5,6]C[5,6]2H)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	110.8560	1.017	2	111.4218	0.689	5	111.4218	0.689	5	111.4218	0.689	5	114.6874	11.564	45	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:4:1:	4:4:4:1:	3:4:3:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4: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]H)(C[5,6]C[6]O[5]H)(H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[6a]O[5]O[6])(C[6]C[6,6a]CH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[5,6]C[5,6]2H)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(H){2|C<4>,2|H<1>,3|O<2>,4|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[6a]O[5]O[6])(C[6]C[6,6a]CH)(H){1|C<4>,1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[5,6]C[5,6]2H)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	111.7990	0.573	3	111.4218	0.689	5	111.4218	0.689	5	111.4218	0.689	5	114.6874	11.564	45	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:4:1:	4:4:4:4:	3:4:3:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C[6]-4:	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]C[6]2)(C[5,6]C[5]C[6]C)(H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]HO)	C[6,6a](C[6,6a]C[6a]N[6])(C[5,6]C[5,6]2H)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]C)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,7|H<1>}	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]HO){2|C<4>,5|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[5,6]C[5,6]2H)(C[6a]C[6a]H){2|C<3>,3|H<1>,5|C<4>}	117.3355	1.118	2	117.3355	1.250	2	117.3355	1.250	2	117.3355	1.250	2	114.6874	11.564	45	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:4:2:	4:4:3:1:	3:4:3:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:O-2:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6,6a,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(OC)	C[5,6](C[5,6]C[6,6a]C[5,6]O)(C[5,6]C[5,6,6]HO)(C[6]C[6,6a]O)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]2O)(C[6a]C[6a]C)	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(OC){1|H<1>,1|O<2>,2|C<4>,2|O<1>,5|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,6]O)(C[5,6]C[5,6,6]HO)(C[6]C[6,6a]O)(H){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]2O)(C[6a]C[6a]C){2|C<4>,3|H<1>,5|C<3>}	112.4515	1.126	2	112.4515	1.269	2	112.4515	1.269	2	112.4515	1.269	2	114.6874	11.564	45	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:4:2:	4:4:4:4:	3:4:3:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:C[6]-4:	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]C[6]2)(C[5,6]C[5]C[6]H)(OH)	C[5,6](C[5,6]C[6,6a]C[5,6]O)(C[5]C[6a]C[5]H)(C[6]C[6,6a]HO)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2O)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(OH){1|O<2>,2|C<4>,5|C<3>,8|H<1>}	C[5,6](C[5,6]C[6,6a]C[5,6]O)(C[5]C[6a]C[5]H)(C[6]C[6,6a]HO)(C[6]C[6]HH){1|C<4>,4|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2O)(C[6a]C[6a]H){1|C<3>,5|C<4>,5|H<1>}	114.6080	0.000	1	114.6080	0.000	1	114.6080	0.000	1	114.6080	0.000	1	114.6874	11.564	45	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	4:3:2:1:	4:4:3:1:	4:3:3:	C[5,6]-4:C[6,6a]-3:O[5,6]-2:H-1:	C[5,5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[6,6a]O[5,6]H)(C[6]C[6]O)(H)	C[6,6a](C[5,6]C[5,6]O[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,5,6])(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[6,6a]O[5,6]H)(C[6]C[6]O)(H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[6,6a](C[5,6]C[5,6]O[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	112.1860	0.000	1	112.1860	0.000	1	112.1860	0.000	1	112.1860	0.000	1	114.6874	11.564	45	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	4:3:3:1:	4:3:3:1:	4:3:3:	C[5,6]-4:C[6,6a]-3:N[5,6]-3:H-1:	C[5,6]-4:C[6,6a]-3:N[5,6]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(H)	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(H){1|Ir<6>,2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(H){1|Ir<6>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	117.1635	2.838	2	116.7773	1.843	6	116.7773	1.843	6	116.7773	1.843	6	114.6874	11.564	45	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	4:3:3:1:	4:3:3:1:	4:3:3:	C[5,6]-4:C[6,6a]-3:N[5,6]-3:H-1:	C[5,6]-4:C[6,6a]-3:N[5,6]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(H)	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(H){2|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(H){2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	116.2875	0.540	2	116.7773	1.843	6	116.7773	1.843	6	116.7773	1.843	6	114.6874	11.564	45	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	4:3:3:1:	4:3:3:1:	4:3:3:	C[5,6]-4:C[6,6a]-3:N[5,6]-3:H-1:	C[5,6]-4:C[6,6a]-3:N[5,6]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(H)	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(H){2|H<1>,4|C<3>,4|C<4>}	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(H){2|H<1>,4|C<3>,4|C<4>}	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	116.8810	0.269	2	116.7773	1.843	6	116.7773	1.843	6	116.7773	1.843	6	114.6874	11.564	45	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	4:3:3:2:	4:3:4:1:	4:3:3:	C[5,6]-4:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])2(O[5]C[5,6])	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]2O[5])(H)	C[6,6a](C[5,6]C[6,6a]C[5,6]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])2(O[5]C[5,6]){1|O<2>,3|H<1>,9|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]2O[5])(H){10|C<3>,1|H<1>}	C[6,6a](C[5,6]C[6,6a]C[5,6]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	115.6395	2.703	4	115.6395	7.305	4	115.6395	7.305	4	115.6395	7.305	4	114.6874	11.564	45	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	4:3:3:3:	3:4:3:3:	4:3:3:	C[5,6]-4:C[6,6a]-3:C[6,6a]-3:C[5]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6]C[6,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])2(C[5]N[5]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]2C[5])(C[5]N[5]O)(C[6]C[6]H)	C[6,6a](C[5,6]C[6,6a]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6]C[6,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])2(C[5]N[5]O){1|O<1>,2|C<4>,3|H<1>,7|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]2C[5])(C[5]N[5]O)(C[6]C[6]H){1|O<1>,2|C<4>,2|H<1>,6|C<3>}	C[6,6a](C[5,6]C[6,6a]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	112.6755	1.037	2	112.6755	1.076	2	112.6755	1.076	2	112.6755	1.076	2	114.6874	11.564	45	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	4:3:3:3:	4:3:3:3:	4:3:3:	C[5,6]-4:C[6,6a]-3:C[6,6a]-3:C[5]-3:	C[5,6]-4:C[6,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6]C[6,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])2(C[5]N[5]O)	C[5,6](C[5,6]C[6,6a]2C[5])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]H)	C[6,6a](C[5,6]C[6,6a]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6]C[6,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])2(C[5]N[5]O){1|C<2>,1|O<1>,2|C<4>,3|H<1>,6|C<3>}	C[5,6](C[5,6]C[6,6a]2C[5])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,7|C<3>}	C[6,6a](C[5,6]C[6,6a]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	112.3855	0.267	2	112.3855	0.071	2	112.3855	0.071	2	112.3855	0.071	2	114.6874	11.564	45	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	4:3:4:1:	4:3:3:2:	3:4:3:	C[5,6]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]2O[5])(H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])2(O[5]C[5,6])	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]2H)(C[6a]C[6a]H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]2O[5])(H){10|C<3>,1|H<1>}	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])2(O[5]C[5,6]){1|O<2>,3|H<1>,9|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]2H)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	121.1595	0.552	2	121.1595	0.305	2	121.1595	0.305	2	121.1595	0.305	2	114.6874	11.564	45	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	4:3:4:1:	4:3:4:1:	3:4:3:	C[5,6]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2H)(C[6a]C[6a]H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H){1|O<2>,5|H<1>,6|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HO)(H){1|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2H)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	110.8140	0.000	1	110.8140	0.000	1	110.9460	0.035	2	110.9460	0.035	2	114.6874	11.564	45	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	4:3:4:1:	4:3:4:1:	3:4:3:	C[5,6]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HO)(H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2H)(C[6a]C[6a]H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HO)(H){1|C<4>,3|H<1>,5|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H){1|O<2>,5|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2H)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	111.0780	0.000	1	111.0780	0.000	1	110.9460	0.035	2	110.9460	0.035	2	114.6874	11.564	45	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	4:4:3:1:	4:4:4:1:	4:3:2:	N[5,6,6]-4:C[5,6]-4:C[6,6a]-3:H-1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6a]-3:N[6a]-2:	C[5,6](N[5,6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]N[6a])(H)	C[5,6](C[5,6]N[5,6,6]C[6,6a]H)(C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6a](C[5,6]N[5,6,6]C[5,6]H)(C[6,6a]C[6,6]C[6a])(N[6a]C[6a])	C[5,6](N[5,6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]N[6a])(H){2|C<3>,4|C<4>,6|H<1>}	C[5,6](C[5,6]N[5,6,6]C[6,6a]H)(C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,3|C<4>,6|H<1>}	C[6,6a](C[5,6]N[5,6,6]C[5,6]H)(C[6,6a]C[6,6]C[6a])(N[6a]C[6a]){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	109.4230	0.000	1	109.4230	0.000	1	109.4230	0.000	1	109.4230	0.000	1	114.6874	11.564	45	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	3:3:4:3:	4:3:3:2:	4:3:3:	C[5,6,6a]-3:C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[5,6,6]-3:C[5]-3:O-2:	C[5,6]-4:C[6a]-3:C[6a]-3:	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[5,6]C[5,6,6]C[5]O)(C[6a]C[6a]2)	C[5,6](C[5,6]C[5,6,6a]C[5,6a]C[6a])(C[5,6,6]C[5,6,6]2)(C[5]C[5,6]O)(OH)	C[6a](C[5,6]C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]F)2	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[5,6]C[5,6,6]C[5]O)(C[6a]C[6a]2){1|O<2>,2|C<4>,2|F<1>,8|C<3>}	C[5,6](C[5,6]C[5,6,6a]C[5,6a]C[6a])(C[5,6,6]C[5,6,6]2)(C[5]C[5,6]O)(OH){1|O<2>,2|C<4>,7|C<3>}	C[6a](C[5,6]C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]F)2{1|O<2>,2|F<1>,7|C<3>}	112.5620	0.000	1	112.5620	0.000	1	112.5620	0.000	1	112.5620	0.000	1	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	3:3:4:3:	4:3:4:1:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[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]H)(C[6a]C[6a]2)	C[5,6](C[5,6]C[5,6a]C[6,6a]C[6a])(C[5]C[5,6a]O)(C[6]C[6]HH)(H)	C[6a](C[5,6]C[5,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)2	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]H)(C[6a]C[6a]2){1|C<4>,1|O<1>,6|C<3>,6|H<1>}	C[5,6](C[5,6]C[5,6a]C[6,6a]C[6a])(C[5]C[5,6a]O)(C[6]C[6]HH)(H){2|H<1>,6|C<3>}	C[6a](C[5,6]C[5,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,6|C<3>}	108.8700	0.908	3	108.8700	0.824	3	108.8700	0.824	3	108.8700	0.824	3	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	3:4:3:2:	4:4:2:1:	4:3:3:	N[5,5a]-3:C[5,6]-4:C[6a]-3:O[6]-2:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](N[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[6]S[5]H)(C[6a]C[6a]2)(O[6]C[6])	C[5,6](C[5,6]N[5,5a]C[6a]O[6])(C[6]C[6a]C[6]H)(S[5]C[5,5a])(H)	C[6a](C[5,6]N[5,5a]C[5,6]O[6])(C[6a]C[6a]H)2	C[5,6](N[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[6]S[5]H)(C[6a]C[6a]2)(O[6]C[6]){1|N<2>,1|N<3>,3|H<1>,6|C<3>}	C[5,6](C[5,6]N[5,5a]C[6a]O[6])(C[6]C[6a]C[6]H)(S[5]C[5,5a])(H){1|C<2>,1|N<2>,6|C<3>}	C[6a](C[5,6]N[5,5a]C[5,6]O[6])(C[6a]C[6a]H)2{1|C<4>,1|S<2>,3|H<1>,4|C<3>}	111.2215	0.773	2	111.2215	0.597	2	111.2215	0.597	2	111.2215	0.597	2	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	3:4:3:2:	4:4:4:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:O[5]-2:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	C[5,6](C[5,6]C[6,6a]C[6a]O[5])(C[5,6]C[5,6a]N[5,6]H)(C[5]C[5]HH)(H)	C[6a](C[5,6]C[6,6a]C[5,6]O[5])(C[6a]C[6a]H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){1|N<3>,5|C<3>,8|H<1>}	C[5,6](C[5,6]C[6,6a]C[6a]O[5])(C[5,6]C[5,6a]N[5,6]H)(C[5]C[5]HH)(H){2|H<1>,7|C<3>}	C[6a](C[5,6]C[6,6a]C[5,6]O[5])(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	110.2387	0.540	3	110.2387	0.292	3	110.2387	0.292	3	110.2387	0.292	3	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	3:4:3:3:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[5]C[5,6a]HH)(N[6]C[6]C)(H)	C[6a](C[5,6]C[5,6a]C[5,6]C[6])(C[6a]C[6a]H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|O<2>,2|C<4>,4|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[5]C[5,6a]HH)(N[6]C[6]C)(H){3|H<1>,5|C<3>}	C[6a](C[5,6]C[5,6a]C[5,6]C[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,3|H<1>,4|C<3>}	108.4693	0.617	3	108.4693	0.381	3	108.4693	0.381	3	110.2108	12.384	4	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	3:4:3:3:	4:4:3:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:N[5]-3:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[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[6a]C[6a]2)(N[5]C[5]H)	C[5,6](C[5,6]C[6,6a]C[6a]N[5])(C[5]C[5]CH)(C[6]O[6]O)(H)	C[6a](C[5,6]C[6,6a]C[5,6]N[5])(C[6a]C[6a]H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H){1|C<4>,1|O<1>,1|O<2>,5|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]C[6a]N[5])(C[5]C[5]CH)(C[6]O[6]O)(H){2|H<1>,5|C<3>}	C[6a](C[5,6]C[6,6a]C[5,6]N[5])(C[6a]C[6a]H)2{2|C<4>,4|C<3>,4|H<1>}	115.4350	0.000	1	115.4350	0.000	1	115.4350	0.000	1	110.2108	12.384	4	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	3:4:3:4:	4:4:3:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:N[5]-4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[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[6a]C[6a]2)(N[5]C[5]HH)	C[5,6](C[5,6]C[6,6a]C[6a]N[5])(C[5]C[5]CH)(C[6]O[6]O)(H)	C[6a](C[5,6]C[6,6a]C[5,6]N[5])(C[6a]C[6a]H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(N[5]C[5]HH){1|C<4>,1|O<1>,1|O<2>,5|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]C[6a]N[5])(C[5]C[5]CH)(C[6]O[6]O)(H){3|H<1>,5|C<3>}	C[6a](C[5,6]C[6,6a]C[5,6]N[5])(C[6a]C[6a]H)2{2|C<4>,4|C<3>,5|H<1>}	115.6670	0.000	1	115.6670	0.000	1	115.6670	0.000	1	115.6670	0.000	1	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	3:4:3:4:	4:4:4:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:C[6]-4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[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[6a]C[6a]2)(C[6]C[6]HH)	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H)	C[6a](C[5,6]C[5,6a]C[5,6]C[6])(C[6a]C[6a]H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|O<2>,4|C<3>,8|H<1>}	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[5,6]C[5,6a]C[5,6]C[6])(C[6a]C[6a]H)2{3|C<3>,3|C<4>,5|H<1>}	112.2080	0.916	2	110.5265	4.136	4	110.5265	4.136	4	110.5265	4.136	4	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	3:4:3:4:	4:4:4:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:C[6]-4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[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[6a]C[6a]2)(C[6]C[6]HH)	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H)	C[6a](C[5,6]C[5,6a]C[5,6]C[6])(C[6a]C[6a]H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,2|O<2>,4|C<3>,7|H<1>}	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[5,6]C[5,6a]C[5,6]C[6])(C[6a]C[6a]H)2{3|C<3>,3|C<4>,5|H<1>}	108.8450	0.509	2	110.5265	4.136	4	110.5265	4.136	4	110.5265	4.136	4	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	3:4:4:3:	4:3:3:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:C[6a]-3:	C[5,6]-4:C[5,6a]-3:N[6]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6a]C[6a]2)	C[5,6](C[5,6]C[6,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(N[6]C[6]C)(H)	C[6a](C[5,6]C[6,6a]C[5,6]C[5])(C[6a]C[6a]H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	C[5,6](C[5,6]C[6,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(N[6]C[6]C)(H){1|O<1>,3|H<1>,6|C<3>}	C[6a](C[5,6]C[6,6a]C[5,6]C[5])(C[6a]C[6a]H)2{1|N<3>,5|C<3>,5|H<1>}	111.1870	0.000	1	111.1870	0.000	1	111.1870	0.000	1	111.1870	0.000	1	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	3:4:4:3:	4:4:1:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:C[6a]-3:	C[5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]HH)(C[5]C[5,5]HH)(C[6a]C[6a]2)	C[5,6](C[5,6]C[6,6a]C[6a]C[5])(C[5,5,6]C[5,5]C[5,6]C)(H)2	C[6a](C[5,6]C[6,6a]C[5,6]C[5])(C[6a]C[6a]H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]HH)(C[5]C[5,5]HH)(C[6a]C[6a]2){2|C<4>,4|H<1>,5|C<3>}	C[5,6](C[5,6]C[6,6a]C[6a]C[5])(C[5,5,6]C[5,5]C[5,6]C)(H)2{4|H<1>,6|C<3>}	C[6a](C[5,6]C[6,6a]C[5,6]C[5])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,6|H<1>}	115.5250	0.000	1	115.5250	0.000	1	115.5250	0.000	1	115.5250	0.000	1	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	3:4:4:3:	4:4:2:1:	3:4:3:	C[6a]-3:C[5,6]-4:C[5,6]-4:C-3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(COO)	C[5,6](C[5,6]C[5,6]C[6a]C)(C[6]C[6]CH)(O[5]C[5])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6]C[5,6]2C)(C[6a]C[6a]H)	C[5,6](C[6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(COO){1|Cl<1>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6a]C)(C[6]C[6]CH)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6]C[5,6]2C)(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,3|C<4>,4|H<1>}	114.0590	0.000	1	114.0590	0.000	1	114.0590	0.000	1	114.0590	0.000	1	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	3:4:4:3:	4:4:3:1:	3:4:3:	C[6a]-3:C[5,6]-4:C[5,6]-4:C-3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(COO)	C[5,6](C[5,6]C[5,6]C[6a]C)(C[6]C[6]ClH)(C[5]O[5]O)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6]C[5,6]2C)(C[6a]C[6a]H)	C[5,6](C[6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(COO){1|Cl<1>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6a]C)(C[6]C[6]ClH)(C[5]O[5]O)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6]C[5,6]2C)(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,3|C<4>,4|H<1>}	118.7180	0.000	1	118.7180	0.000	1	118.7180	0.000	1	118.7180	0.000	1	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:2:3:4:	4:4:4:1:	4:3:3:	C[5,6]-4:O[5,6]-2:C[6a]-3:C[5]-4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[6a]C[6a]2)(C[5]O[5]HH)	C[5,6](C[5,6]O[5,6]C[6a]C[5])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H)	C[6a](C[5,6]C[5,6]O[5,6]C[5])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[6a]C[6a]2)(C[5]O[5]HH){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,6]O[5,6]C[6a]C[5])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,6|H<1>}	C[6a](C[5,6]C[5,6]O[5,6]C[5])(C[6a]C[6a]H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	113.0290	0.413	2	113.0290	0.171	2	113.0290	0.171	2	113.0290	0.171	2	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:3:2:2:	4:2:2:1:	4:3:3:	C[5,6]-4:C[6a]-3:O[6]-2:N[5]-2:	C[5,6]-4:O[6]-2:O[5]-2:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]O[5]O[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(N[5]C[5])	C[5,6](C[5,6]C[6a]N[5]O[6])(O[6]C[6,6a])(O[5]C[5])(H)	C[6a](C[5,6]C[5,6]N[5]O[6])(C[6a]C[6a]H)2	C[5,6](C[5,6]O[5]O[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(N[5]C[5]){1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[6a]N[5]O[6])(O[6]C[6,6a])(O[5]C[5])(H){1|C<4>,4|C<3>}	C[6a](C[5,6]C[5,6]N[5]O[6])(C[6a]C[6a]H)2{2|O<2>,3|C<3>,3|H<1>}	112.6510	0.000	1	112.6510	0.000	1	112.6510	0.000	1	111.5190	2.563	2	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:3:2:2:	4:2:2:1:	4:3:3:	C[5,6]-4:C[6a]-3:O[6]-2:N[5]-2:	C[5,6]-4:O[6]-2:S[5]-2:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]O[6]S[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])(N[5]C[5])	C[5,6](C[5,6]C[6a]N[5]O[6])(O[6]C[6,6a])(S[5]C[5])(H)	C[6a](C[5,6]C[5,6]N[5]O[6])(C[6a]C[6a]H)2	C[5,6](C[5,6]O[6]S[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])(N[5]C[5]){1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[6a]N[5]O[6])(O[6]C[6,6a])(S[5]C[5])(H){1|C<4>,4|C<3>}	C[6a](C[5,6]C[5,6]N[5]O[6])(C[6a]C[6a]H)2{1|O<2>,1|S<2>,3|C<3>,3|H<1>}	110.3870	0.000	1	110.3870	0.000	1	110.3870	0.000	1	111.5190	2.563	2	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:3:2:2:	4:4:1:1:	4:3:3:	C[5,6]-4:C[6a]-3:O[6]-2:O[5]-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])(O[5]C[5,5])	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[6a]O[5]O[6])(H)2	C[6a](C[5,6]C[5,6]O[5]O[6])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])(O[5]C[5,5]){3|H<1>,6|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[6a]O[5]O[6])(H)2{6|C<3>}	C[6a](C[5,6]C[5,6]O[5]O[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	119.2400	0.000	1	119.2400	0.000	1	117.4360	6.509	2	117.4360	6.509	2	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:3:2:2:	4:4:1:1:	4:3:3:	C[5,6]-4:C[6a]-3:O[6]-2:O[5]-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])(O[5]C[5])	C[5,6](C[5,6]C[6a]O[5]O[6])(C[5,6]C[6,6a]C[5]H)(H)2	C[6a](C[5,6]C[5,6]O[5]O[6])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])(O[5]C[5]){4|H<1>,5|C<3>}	C[5,6](C[5,6]C[6a]O[5]O[6])(C[5,6]C[6,6a]C[5]H)(H)2{1|H<1>,5|C<3>}	C[6a](C[5,6]C[5,6]O[5]O[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	115.6320	0.000	1	115.6320	0.000	1	117.4360	6.509	2	117.4360	6.509	2	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:3:2:2:	4:4:4:1:	4:3:3:	C[5,6]-4:C[6a]-3:N[6]-2:O[5]-2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(N[6]C[6])(O[5]C[5])	C[5,6](C[5,6]C[6a]N[6]O[5])(C[5]C[5]HH)(C[6]S[6]HH)(H)	C[6a](C[5,6]C[5,6]N[6]O[5])(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5,6](C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(N[6]C[6])(O[5]C[5]){1|F<1>,1|N<3>,1|S<2>,2|C<3>,7|H<1>}	C[5,6](C[5,6]C[6a]N[6]O[5])(C[5]C[5]HH)(C[6]S[6]HH)(H){2|H<1>,3|C<3>}	C[6a](C[5,6]C[5,6]N[6]O[5])(C[6a]C[6a]F)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	110.8385	0.064	2	110.8385	0.004	2	110.8385	0.004	2	113.6653	4.115	7	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:3:2:2:	4:4:4:1:	4:3:3:	C[5,6]-4:C[6a]-3:O[6]-2:O[5]-2:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(O[5]C[5,6])	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[6a]O[5]O[6])(C[6]C[6,6a]CH)(H)	C[6a](C[5,6]C[5,6]O[5]O[6])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(O[5]C[5,6]){1|C<4>,5|H<1>,6|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[6a]O[5]O[6])(C[6]C[6,6a]CH)(H){1|C<4>,1|H<1>,6|C<3>}	C[6a](C[5,6]C[5,6]O[5]O[6])(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	114.3485	0.873	2	114.7960	0.577	5	114.7960	0.577	5	113.6653	4.115	7	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:3:2:2:	4:4:4:1:	4:3:3:	C[5,6]-4:C[6a]-3:O[6]-2:O[5]-2:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(O[5]C[5,6])	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[6a]O[5]O[6])(C[6]C[6,6a]CH)(H)	C[6a](C[5,6]C[5,6]O[5]O[6])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(O[5]C[5,6]){2|C<4>,5|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[6a]O[5]O[6])(C[6]C[6,6a]CH)(H){1|C<4>,1|H<1>,6|C<3>}	C[6a](C[5,6]C[5,6]O[5]O[6])(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	115.0943	0.663	3	114.7960	0.577	5	114.7960	0.577	5	113.6653	4.115	7	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:3:2:3:	4:3:3:2:	4:3:3:	C[5,6]-4:C[6a]-3:O[6]-2:C[5]-3:	C[5,6]-4:C[5]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]C[6a]C[5]O[6])(C[6a]C[6a]2)(O[6]C[6,6a])(C[5]C[5]O)	C[5,6](C[5,6]C[6a]C[5]O[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)(O[6]C[6,6a])	C[6a](C[5,6]C[5,6]C[5]O[6])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[6a]C[5]O[6])(C[6a]C[6a]2)(O[6]C[6,6a])(C[5]C[5]O){2|H<1>,8|C<3>}	C[5,6](C[5,6]C[6a]C[5]O[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)(O[6]C[6,6a]){1|O<1>,2|H<1>,9|C<3>}	C[6a](C[5,6]C[5,6]C[5]O[6])(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|H<1>,5|C<3>}	116.0390	0.000	1	116.0390	0.000	1	116.0390	0.000	1	116.0390	0.000	1	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:3:2:3:	4:3:3:3:	4:3:3:	C[5,6]-4:C[6a]-3:N[6]-2:N[5]-3:	C[5,6]-4:C[6a]-3:N[6]-3:N[5]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]C[6a]N[5]N[6])(C[6a]C[6a]2)(N[6]C[5,6])(N[5]C[5]C)	C[5,6](C[5,6]C[6a]N[5]N[6])(C[6a]C[6a]2)(N[6]N[5,6]H)(N[5]C[5]C)	C[6a](C[5,6]C[5,6]N[5]N[6])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[6a]N[5]N[6])(C[6a]C[6a]2)(N[6]C[5,6])(N[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[6a]N[5]N[6])(C[6a]C[6a]2)(N[6]N[5,6]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[6a](C[5,6]C[5,6]N[5]N[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,2|N<3>,4|C<3>}	113.2445	1.853	2	113.2445	3.435	2	113.2445	3.435	2	113.4753	1.512	4	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:3:2:3:	4:3:3:3:	4:3:3:	C[5,6]-4:C[6a]-3:N[6]-2:N[5]-3:	C[5,6]-4:N[6]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]C[6a]N[5]N[6])(C[6a]C[6a]2)(N[6]C[5a,6])(N[5]C[5]C)	C[5,6](C[5,6]C[6a]N[5]N[6])(N[6]N[5a,6]H)(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[5,6]C[5,6]N[5]N[6])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[6a]N[5]N[6])(C[6a]C[6a]2)(N[6]C[5a,6])(N[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[6a]N[5]N[6])(N[6]N[5a,6]H)(C[6a]C[6a]2)(N[5]C[5]C){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[6a](C[5,6]C[5,6]N[5]N[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,2|N<3>,4|C<3>}	113.7060	0.942	2	113.7060	0.887	2	113.7060	0.887	2	113.4753	1.512	4	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:3:2:3:	4:3:4:1:	4:3:3:	C[5,6]-4:C[6a]-3:O[5]-2:N[6]-3:	C[5,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5,6a]C[6]H)(C[6a]C[6a]2)(O[5]C[5,6a])(N[6]C[6]H)	C[5,6](C[5,6]C[6a]N[6]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H)	C[6a](C[5,6]C[5,6]N[6]O[5])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5,6a]C[6]H)(C[6a]C[6a]2)(O[5]C[5,6a])(N[6]C[6]H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[6a]N[6]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H){4|H<1>,5|C<3>}	C[6a](C[5,6]C[5,6]N[6]O[5])(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	111.6240	0.000	1	111.6240	0.000	1	111.6240	0.000	1	111.6240	0.000	1	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:3:2:4:	4:4:1:1:	4:3:3:	C[5,6]-4:C[6a]-3:O[6]-2:C[5]-4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])(C[5]O[5]HH)	C[5,6](C[5,6]C[6a]C[5]O[6])(C[5,6]C[6,6a]O[5]H)(H)2	C[6a](C[5,6]C[5,6]C[5]O[6])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])(C[5]O[5]HH){3|H<1>,4|C<3>}	C[5,6](C[5,6]C[6a]C[5]O[6])(C[5,6]C[6,6a]O[5]H)(H)2{2|H<1>,4|C<3>}	C[6a](C[5,6]C[5,6]C[5]O[6])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,6|H<1>}	117.4220	0.000	1	117.4220	0.000	1	117.4220	0.000	1	117.4220	0.000	1	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:3:3:1:	4:4:4:1:	4:3:3:	C[5,6]-4:N[5,6]-3:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:S[6]-4:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5]S[6]H)(N[5,6]C[6]O[5])(C[6a]C[6a]2)(H)	C[5,6](C[5,6]N[5,6]C[6a]H)(C[5]O[5]HH)(S[6]C[6]OO)(H)	C[6a](C[5,6]C[5,6]N[5,6]H)(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5]S[6]H)(N[5,6]C[6]O[5])(C[6a]C[6a]2)(H){1|C<4>,2|C<3>,2|O<1>,6|H<1>}	C[5,6](C[5,6]N[5,6]C[6a]H)(C[5]O[5]HH)(S[6]C[6]OO)(H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6]C[5,6]N[5,6]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,1|S<4>,2|C<4>,3|H<1>}	113.2070	0.000	1	113.2070	0.000	1	113.2070	0.000	1	113.2070	0.000	1	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:3:3:2:	4:3:2:3:	4:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6a]-3:O[6]-2:C[5]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]C[6a]C[5]O[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)(O[6]C[6,6a])	C[5,6](C[5,6]C[6a]C[5]O[6])(C[6a]C[6a]2)(O[6]C[6,6a])(C[5]C[5]O)	C[6a](C[5,6]C[5,6]C[5]O[6])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[6a]C[5]O[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)(O[6]C[6,6a]){1|O<1>,2|H<1>,9|C<3>}	C[5,6](C[5,6]C[6a]C[5]O[6])(C[6a]C[6a]2)(O[6]C[6,6a])(C[5]C[5]O){2|H<1>,8|C<3>}	C[6a](C[5,6]C[5,6]C[5]O[6])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,6|C<3>}	113.0550	0.000	1	113.0550	0.000	1	113.0550	0.000	1	113.0550	0.000	1	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:3:3:2:	4:3:3:3:	4:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:O[5]-2:	C[5,6]-4:N[6,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]N[6,6a]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])	C[5,6](C[5,6]C[6,6a]C[6a]O[5])(N[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5,6]C[6,6a]C[5,6]O[5])(C[6a]C[6a]H)2	C[5,6](C[5,6]N[6,6a]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5]){10|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]C[6a]O[5])(N[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){10|C<3>,1|N<2>,1|O<1>,2|H<1>}	C[6a](C[5,6]C[6,6a]C[5,6]O[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,6|C<3>}	116.2890	0.298	2	116.2890	0.089	2	116.2890	0.089	2	116.2890	0.089	2	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:3:3:2:	4:3:4:4:	4:3:3:	C[5,6]-4:N[5]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[5,6a]-3:C[6]-4:C-4:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(C[6a]C[6a]2)(O[6]C[6])	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[6a](C[5,6]C[5,6]N[5]O[6])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,4|C<3>,6|H<1>}	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[6a](C[5,6]C[5,6]N[5]O[6])(C[6a]C[6a]H)2{2|H<1>,3|C<3>,4|C<4>}	114.1550	0.000	1	114.1550	0.000	1	114.1550	0.000	1	114.1550	0.000	1	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:3:3:2:	4:4:1:1:	4:3:3:	C[5,6]-4:C[6a]-3:N[5]-3:O[6]-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,5]C)(O[6]C[6,6a])	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[6a]N[5]O[6])(H)2	C[6a](C[5,6]C[5,6]N[5]O[6])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,5]C)(O[6]C[6,6a]){3|H<1>,6|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[6a]N[5]O[6])(H)2{7|C<3>}	C[6a](C[5,6]C[5,6]N[5]O[6])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	116.2350	0.000	1	116.2350	0.000	1	116.2350	0.000	1	116.2350	0.000	1	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:3:3:2:	4:4:4:1:	4:3:2:	C[5,6]-4:C[6a]-3:N[6]-3:O[5]-2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6a]-3:N[6a]-2:	C[5,6](C[5,6]C[5]C[6]H)(C[6a]C[6a]N[6a])(N[6]N[6]H)(O[5]C[5])	C[5,6](C[5,6]C[6a]N[6]O[5])(C[5]C[5]CH)(C[6]C[6]CH)(H)	C[6a](C[5,6]C[5,6]N[6]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[5,6](C[5,6]C[5]C[6]H)(C[6a]C[6a]N[6a])(N[6]N[6]H)(O[5]C[5]){1|C<4>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[6a]N[6]O[5])(C[5]C[5]CH)(C[6]C[6]CH)(H){2|C<3>,2|N<2>,3|H<1>}	C[6a](C[5,6]C[5,6]N[6]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<2>,3|C<4>,4|H<1>}	113.5900	0.611	2	113.5900	0.373	2	113.5900	0.373	2	113.5900	0.373	2	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:3:3:3:	4:3:2:3:	4:3:3:	C[5,6]-4:C[6a]-3:N[6]-3:N[5]-3:	C[5,6]-4:C[6a]-3:N[6]-2:N[5]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]C[6a]N[5]N[6])(C[6a]C[6a]2)(N[6]N[5,6]H)(N[5]C[5]C)	C[5,6](C[5,6]C[6a]N[5]N[6])(C[6a]C[6a]2)(N[6]C[5,6])(N[5]C[5]C)	C[6a](C[5,6]C[5,6]N[5]N[6])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[6a]N[5]N[6])(C[6a]C[6a]2)(N[6]N[5,6]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[5,6](C[5,6]C[6a]N[5]N[6])(C[6a]C[6a]2)(N[6]C[5,6])(N[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|H<1>,4|C<3>}	C[6a](C[5,6]C[5,6]N[5]N[6])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|N<3>,3|C<3>,3|H<1>}	113.3595	0.607	2	113.3595	0.369	2	113.3595	0.369	2	112.9950	0.331	4	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:3:3:3:	4:3:2:3:	4:3:3:	C[5,6]-4:N[6]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[6a]-3:N[6]-2:N[5]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]C[6a]N[5]N[6])(N[6]N[5a,6]H)(C[6a]C[6a]2)(N[5]C[5]C)	C[5,6](C[5,6]C[6a]N[5]N[6])(C[6a]C[6a]2)(N[6]C[5a,6])(N[5]C[5]C)	C[6a](C[5,6]C[5,6]N[5]N[6])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[6a]N[5]N[6])(N[6]N[5a,6]H)(C[6a]C[6a]2)(N[5]C[5]C){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[5,6](C[5,6]C[6a]N[5]N[6])(C[6a]C[6a]2)(N[6]C[5a,6])(N[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|H<1>,4|C<3>}	C[6a](C[5,6]C[5,6]N[5]N[6])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|N<3>,3|C<3>,3|H<1>}	112.6305	0.302	2	112.6305	0.091	2	112.6305	0.091	2	112.9950	0.331	4	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:3:3:3:	4:3:3:2:	4:3:3:	C[5,6]-4:N[6,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:O[5]-2:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]C[6,6a]C[6a]O[5])(N[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,6](C[5,6]N[6,6a]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[5,6]N[6,6a]C[5,6]C[5])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[6,6a]C[6a]O[5])(N[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){10|C<3>,1|N<2>,1|O<1>,2|H<1>}	C[5,6](C[5,6]N[6,6a]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5]){10|C<3>,3|H<1>}	C[6a](C[5,6]N[6,6a]C[5,6]C[5])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,7|C<3>}	107.8885	0.627	2	107.8885	0.393	2	107.8885	0.393	2	107.8885	0.393	2	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:3:3:3:	4:3:4:1:	4:3:3:	C[5,6]-4:N[5]-3:C[6a]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]S)(C[6a]C[6a]2)(C[6]C[6]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)(H)	C[6a](C[5,6]C[5,6]C[6]N[5])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]S)(C[6a]C[6a]2)(C[6]C[6]H){5|C<3>,5|H<1>}	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)(H){1|O<1>,1|S<4>,2|H<1>,5|C<3>}	C[6a](C[5,6]C[5,6]C[6]N[5])(C[6a]C[6a]H)2{1|C<4>,1|S<4>,4|C<3>,4|H<1>}	110.9670	0.318	2	110.9670	0.101	2	110.9670	0.101	2	110.9670	0.101	2	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:3:3:3:	4:4:3:1:	4:3:3:	C[5,6]-4:C[6]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)(C[5]N[5]O)	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6,6a]CH)(C[5]N[5]O)(H)	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)(C[5]N[5]O){1|O<1>,3|H<1>,6|C<3>}	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6,6a]CH)(C[5]N[5]O)(H){2|O<1>,5|C<3>}	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|O<1>,3|C<3>,3|H<1>}	113.3300	0.000	1	113.3300	0.000	1	113.3300	0.000	1	111.8185	1.106	4	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:3:3:3:	4:4:3:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(C[6]C[6]H)	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]S)(H)	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[5,6a]H)(C[6a]C[6a]C)	C[5,6](C[5,6]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(C[6]C[6]H){1|C<4>,1|S<4>,3|C<3>,6|H<1>}	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]S)(H){4|C<3>,5|H<1>}	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[5,6a]H)(C[6a]C[6a]C){1|N<3>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	110.9000	0.000	1	110.9000	0.000	1	110.9000	0.000	1	111.8185	1.106	4	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:3:3:3:	4:4:3:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[6]-3:N[5]-3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(N[5]C[5]S)	C[5,6](C[5,6]C[6a]C[6]N[5])(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6a](C[5,6]C[5,6]C[6]N[5])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(N[5]C[5]S){1|O<1>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[6a]C[6]N[5])(C[6]C[6]HH)(C[5]C[5]C)(H){1|H<1>,1|S<4>,2|O<1>,3|C<3>}	C[6a](C[5,6]C[5,6]C[6]N[5])(C[6a]C[6a]H)2{1|C<4>,1|S<4>,4|C<3>,4|H<1>}	111.6070	0.000	1	111.6070	0.000	1	111.5220	0.014	2	111.8185	1.106	4	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:3:3:3:	4:4:3:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[6]-3:N[5]-3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(N[5]C[5]S)	C[5,6](C[5,6]C[6a]C[6]N[5])(C[6]C[6]HH)(C[5]C[5]S)(H)	C[6a](C[5,6]C[5,6]C[6]N[5])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(N[5]C[5]S){1|C<4>,1|S<2>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[6a]C[6]N[5])(C[6]C[6]HH)(C[5]C[5]S)(H){1|C<4>,1|H<1>,1|O<1>,1|S<4>,3|C<3>}	C[6a](C[5,6]C[5,6]C[6]N[5])(C[6a]C[6a]H)2{1|C<4>,1|S<4>,4|C<3>,4|H<1>}	111.4370	0.000	1	111.4370	0.000	1	111.5220	0.014	2	111.8185	1.106	4	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:3:3:3:	4:4:4:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[6]-3:N[5]-3:	C[5,6]-4:C[5,5]-4:C[6]-4:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5,5]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(N[5]C[5]S)	C[5,6](C[5,6]C[6a]C[6]N[5])(C[5,5]C[5]3)(C[6]C[6]HH)(H)	C[6a](C[5,6]C[5,6]C[6]N[5])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5,5]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(N[5]C[5]S){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[6a]C[6]N[5])(C[5,5]C[5]3)(C[6]C[6]HH)(H){1|S<4>,2|O<1>,5|C<3>,5|H<1>}	C[6a](C[5,6]C[5,6]C[6]N[5])(C[6a]C[6a]H)2{1|S<4>,2|C<4>,3|C<3>,4|H<1>}	110.1910	0.000	1	110.1910	0.000	1	110.1910	0.000	1	110.1910	0.000	1	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:3:3:4:	4:3:3:1:	4:3:3:	C[5,6]-4:N[5]-3:C[6a]-3:C[6]-4:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]N[5]N[6]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(C[6]N[6]HH)	C[5,6](C[5,6]C[6a]C[6]N[5])(N[5]C[6a]C[5])(N[6]C[6]S)(H)	C[6a](C[5,6]C[5,6]C[6]N[5])(C[6a]C[6a]H)2	C[5,6](C[5,6]N[5]N[6]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(C[6]N[6]HH){1|C<4>,1|S<4>,4|H<1>,6|C<3>}	C[5,6](C[5,6]C[6a]C[6]N[5])(N[5]C[6a]C[5])(N[6]C[6]S)(H){1|N<3>,5|C<3>,6|H<1>}	C[6a](C[5,6]C[5,6]C[6]N[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|N<3>,5|H<1>}	109.4220	0.000	1	109.4220	0.000	1	109.4220	0.000	1	109.4220	0.000	1	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:3:3:4:	4:3:4:4:	4:3:3:	C[5,6]-4:N[5]-3:C[6a]-3:C[6]-4:	C[5,6]-4:C[5,6a]-3:C[6]-4:C-4:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)	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[6a](C[5,6]C[5,6]C[6]N[5])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH){4|H<1>,6|C<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){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[5,6]C[5,6]C[6]N[5])(C[6a]C[6a]H)2{3|C<4>,4|C<3>,4|H<1>}	113.6830	0.000	1	113.6830	0.000	1	113.6830	0.000	1	113.6830	0.000	1	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:3:4:1:	4:4:1:1:	4:3:2:	C[5,5,6]-4:C[6a]-3:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6a,6a]-3:N[6a]-2:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a,6a]N[6a])(C[5,6]C[5,5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a,6a]N[6a])(C[5,6]C[5,5,6]HH)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2{1|C<3>,1|C<4>,1|N<2>,5|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]){3|C<4>,4|C<3>,4|H<1>}	112.7830	0.000	1	114.2655	4.396	2	114.2655	4.396	2	114.2655	4.396	2	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:3:4:1:	4:4:1:1:	4:3:2:	C[5,5,6]-4:C[6a]-3:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6a,6a]-3:N[6a]-2:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a,6a]N[6a])(C[5,6]C[5,5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a,6a]N[6a])(C[5,6]C[5,5,6]HH)(H){1|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]){3|C<4>,4|C<3>,4|H<1>}	115.7480	0.000	1	114.2655	4.396	2	114.2655	4.396	2	114.2655	4.396	2	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:3:4:1:	4:4:1:1:	4:3:3:	C[5,5,6]-4:C[6a]-3:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6a,6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a,6a]C[6a])(C[5,6]C[5,5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a,6a]C[6a])(C[5,6]C[5,5,6]HH)(H){1|C<4>,3|C<3>,6|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2{1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	111.1700	0.000	1	111.1700	0.000	1	111.1700	0.000	1	111.1700	0.000	1	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:3:4:1:	4:4:4:1:	4:3:3:	C[5,5,6]-4:C[6a]-3:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:Si-4:H-1:	C[5,6]-4:C[6a,6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[6a]C[6a,6a]C[6a])(C[5,6]C[5,5,6]SiH)(H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]C[6a]H)(SiC3)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[6a]C[6a,6a]C[6a])(C[5,6]C[5,5,6]SiH)(H){1|Si<4>,1|H<1>,5|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]C[6a]H)(SiC3)(H){1|H<1>,4|C<3>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Si){1|Si<4>,1|C<4>,1|O<2>,4|C<3>,4|H<1>}	120.4140	0.000	1	120.4140	0.000	1	120.4140	0.000	1	120.4140	0.000	1	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:3:4:2:	4:3:4:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:O[6]-2:	C[5,6]-4:C[5a,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6a]C[6a]2)(C[5]S[5]HH)(O[6]C[6])	C[5,6](C[5,6]C[6a]C[5]O[6])(C[5a,6]C[5a,6]C[5a])(C[5]S[5]HH)(H)	C[6a](C[5,6]C[5,6]C[5]O[6])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6a]C[6a]2)(C[5]S[5]HH)(O[6]C[6]){4|C<3>,6|H<1>}	C[5,6](C[5,6]C[6a]C[5]O[6])(C[5a,6]C[5a,6]C[5a])(C[5]S[5]HH)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6]C[5,6]C[5]O[6])(C[6a]C[6a]H)2{1|S<2>,2|C<3>,2|C<4>,5|H<1>}	116.2190	0.000	1	116.2190	0.000	1	116.2190	0.000	1	116.2190	0.000	1	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:3:4:3:	4:4:1:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]C[5]O)	C[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]C[5]O){1|C<4>,3|C<3>,6|H<1>}	C[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<4>,2|C<3>,2|O<1>,4|H<1>}	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)2{1|C<3>,1|O<1>,3|C<4>,6|H<1>}	114.8050	0.000	1	114.8050	0.000	1	114.8050	0.000	1	114.8050	0.000	1	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:3:4:3:	4:4:2:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:C[6]-3:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]C[6]O[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]O)	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)2{1|O<1>,2|C<3>,2|C<4>,2|O<2>,4|H<1>}	115.7220	0.000	1	115.7220	0.000	1	115.7220	0.000	1	115.7220	0.000	1	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:3:4:3:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[6a]-3:C[5,6]-4:C-3:	C[5,5,6]-4:C[5,6]-4:C-3: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]CH)(COO)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C[6a]C)(COO)(H)	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]CH)(COO){2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C[6a]C)(COO)(H){2|H<1>,3|C<3>}	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>,2|C<4>,4|C<3>,4|H<1>}	111.4250	0.000	1	111.4250	0.000	1	111.4250	0.000	1	110.5164	3.837	8	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:3:4:3:	4:4:3:1:	4:3:3:	C[5,6]-4:C[5,6]-3:C[5]-4:C[6a]-3:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6a]C[6a]2)	C[5,6](C[5,6]C[5,6]C[6a]C[5])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6a](C[5,6]C[5,6]2C[5])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6]C[6a]C[5])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,4|H<1>,6|C<3>}	C[6a](C[5,6]C[5,6]2C[5])(C[6a]C[6a]H)2{1|C<4>,5|C<3>,5|H<1>}	108.3560	0.000	1	108.3560	0.000	1	108.3560	0.000	1	110.5164	3.837	8	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:3:4:3:	4:4:3:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:C[6]-3:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]H)	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]C)(H)	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5,6](C[5,6]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]H){4|C<3>,7|H<1>}	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]C)(H){1|O<1>,3|C<3>,5|H<1>}	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|O<2>,4|H<1>}	110.0980	0.000	1	110.0980	0.000	1	110.7250	4.221	6	110.5164	3.837	8	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:3:4:3:	4:4:3:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:C[6]-3:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HO)(C[6]C[6]H)	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]S)(H)	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5,6](C[5,6]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HO)(C[6]C[6]H){1|C<4>,1|S<4>,2|C<3>,7|H<1>}	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]S)(H){2|O<2>,3|C<3>,5|H<1>}	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|O<2>,4|H<1>}	110.8504	2.271	5	110.8504	5.159	5	110.7250	4.221	6	110.5164	3.837	8	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:3:4:3:	4:4:3:2:	4:3:3:	C[5,6]-4:C[6a]-3:C[6]-4:N[5]-3:	C[5,6]-4:C[5]-4:C[6]-3:S-2:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5]C[6]S)(C[6a]C[6a]2)(C[6]C[6]HH)(N[5]C[5]S)	C[5,6](C[5,6]C[6a]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]H)(SC)	C[6a](C[5,6]C[5,6]C[6]N[5])(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5,6](C[5,6]C[5]C[6]S)(C[6a]C[6a]2)(C[6]C[6]HH)(N[5]C[5]S){1|O<2>,3|C<3>,8|H<1>}	C[5,6](C[5,6]C[6a]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]H)(SC){1|C<4>,1|S<4>,2|C<3>,5|H<1>}	C[6a](C[5,6]C[5,6]C[6]N[5])(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|O<2>,1|S<2>,1|S<4>,2|C<3>,3|C<4>,3|H<1>}	113.0530	0.000	1	113.0530	0.000	1	113.0530	0.000	1	113.0530	0.000	1	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:3:4:4:	4:3:3:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:C[6]-4:	C[5,6]-4:C[6,6a]-3:N[5]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[6a]C[6a]2)(C[5]O[5]HH)(C[6]O[6]HH)	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(N[5]O[5]C)(H)	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[6,6a]N[5]H)(C[6a]C[6a]2)(C[5]O[5]HH)(C[6]O[6]HH){1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(N[5]O[5]C)(H){1|O<2>,4|C<3>,5|H<1>}	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|O<2>,7|H<1>}	115.3380	0.000	1	115.3380	0.000	1	115.3380	0.000	1	114.8823	0.217	3	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:3:4:4:	4:3:3:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:C[6]-4:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]H)(N[5]C[5]C)(H)	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,3|C<3>,7|H<1>}	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]H)(N[5]C[5]C)(H){1|C<4>,2|C<3>,7|H<1>}	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|O<2>,5|H<1>}	114.6545	0.351	2	114.6545	0.124	2	114.6545	0.124	2	114.8823	0.217	3	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:3:4:4:	4:3:4:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:C[6]-4:	C[5,6]-4:N[6,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]N[6,6]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6](C[5,6]C[6a]C[5]C[6])(N[6,6]C[6,6]C[6])(C[5]C[5]HH)(H)	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)2	C[5,6](C[5,6]N[6,6]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,3|C<4>,7|H<1>}	C[5,6](C[5,6]C[6a]C[5]C[6])(N[6,6]C[6,6]C[6])(C[5]C[5]HH)(H){3|C<3>,3|C<4>,8|H<1>}	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,3|C<4>,7|H<1>}	116.3420	0.000	1	116.3420	0.000	1	116.3420	0.000	1	116.3420	0.000	1	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:3:4:4:	4:4:3:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:C[6]-4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]CH)(N[5]C[5]O)(H)	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]HH){1|C<2>,1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]CH)(N[5]C[5]O)(H){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,2|C<4>,6|H<1>}	112.1760	0.000	1	112.1760	0.000	1	112.1760	0.000	1	112.1760	0.000	1	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:3:4:4:	4:4:3:4:	4:3:3:	C[5,6]-4:C[6a]-3:C[6]-4:N[5]-4:	C[5,6]-4:C[5]-4:C[6]-3:S-4:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5]C[6]S)(C[6a]C[6a]2)(C[6]C[6]HH)(N[5]C[5]CH)	C[5,6](C[5,6]C[6a]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]H)(SCOO)	C[6a](C[5,6]C[5,6]C[6]N[5])(C[6a]C[5,6a]H)(C[6a]C[6a]C)	C[5,6](C[5,6]C[5]C[6]S)(C[6a]C[6a]2)(C[6]C[6]HH)(N[5]C[5]CH){1|C<4>,3|C<3>,8|H<1>}	C[5,6](C[5,6]C[6a]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]H)(SCOO){2|C<3>,2|C<4>,6|H<1>}	C[6a](C[5,6]C[5,6]C[6]N[5])(C[6a]C[5,6a]H)(C[6a]C[6a]C){1|O<2>,1|S<4>,2|C<3>,4|C<4>,4|H<1>}	119.0360	0.000	1	119.0360	0.000	1	119.0360	0.000	1	119.0360	0.000	1	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:3:4:4:	4:4:4:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:C[6]-4:	C[5,6]-4:C[6]-4:N[5]-4:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]ClH)(N[5]C[5]CH)(H)	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5,6](C[5,6]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]HH){1|Cl<1>,1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]ClH)(N[5]C[5]CH)(H){1|C<4>,2|C<3>,8|H<1>}	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|N<4>,1|O<2>,3|C<4>,6|H<1>}	112.4900	0.000	1	112.4900	0.000	1	112.4900	0.000	1	112.4900	0.000	1	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:3:4:4:	4:4:4:3:	4:3:3:	C[5,5,6]-4:C[6a]-3:C[5,6]-4:C-4:	C[5,5,6]-4:C[5,6]-4:C-4:C-3:	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[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C[6a]C)(CH3)(COO)	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[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C[6a]C)(CH3)(COO){1|C<4>,2|C<3>,3|H<1>}	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>}	115.7350	1.782	2	115.7350	3.175	2	115.7350	3.175	2	115.7350	3.175	2	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:4:3:1:	3:4:2:1:	4:3:3:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6a]H)(O[5]C[5])(H)	C[6a](C[5,6]C[5,6]2H)(C[6a]C[6a]H)2	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6a]H)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6]C[5,6]2H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,4|H<1>}	116.5430	0.000	1	116.5430	0.000	1	116.5430	0.000	1	116.5430	0.000	1	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:4:3:1:	3:4:2:4:	4:3:3:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5a,6]-3:C[5,6]-4:O[5]-2:C-4:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5a,6]O[5]C)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(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)	C[6a](C[5,6]C[5,6]2H)(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5a,6]O[5]C)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H){1|N<3>,4|C<3>,5|H<1>}	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[6a](C[5,6]C[5,6]2H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	114.3160	0.000	1	114.3160	0.000	1	114.3160	0.000	1	114.3160	0.000	1	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:4:3:1:	3:4:3:1:	4:3:3:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6a]H)(C[5]C[5]O)(H)	C[6a](C[5,6]C[5,6]2H)(C[6a]C[6a]H)2	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H){1|Cl<1>,1|O<1>,4|C<3>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6a]H)(C[5]C[5]O)(H){1|Cl<1>,1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6]C[5,6]2H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	115.7860	0.000	1	115.7860	0.000	1	115.7860	0.000	1	115.7860	0.000	1	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:4:3:1:	4:3:3:1:	4:3:3:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5]C[6]H)2(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5,6]C[6a]H)(C[5]C[5]O)(C[6]C[6]H)(H)	C[6a](C[5,6]C[5,6]2H)(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5]C[6]H)2(C[6a]C[6a]2)(H){1|O<2>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[6a]H)(C[5]C[5]O)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6]C[5,6]2H)(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	112.9120	1.325	2	112.9120	1.756	2	112.9120	1.756	2	112.9120	1.756	2	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:4:3:1:	4:4:1:1:	4:3:3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5a,6]C[3x5]C[6a])(C[5,6]C[3x5,6]HH)(C[6a]C[6a]2)(H)	C[5,6](C[3x5,6]C[5,5a,6]C[3x5]C[5])(C[5,6]C[5,5,6]C[6a]H)(H)2	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5a,6]C[3x5]C[6a])(C[5,6]C[3x5,6]HH)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,6|C<3>}	C[5,6](C[3x5,6]C[5,5a,6]C[3x5]C[5])(C[5,6]C[5,5,6]C[6a]H)(H)2{2|C<4>,3|H<1>,5|C<3>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	117.2320	1.479	2	117.2320	2.188	2	117.2320	2.188	2	115.0841	5.274	16	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:4:3:1:	4:4:1:1:	4:3:3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[3,5,5]N[5,6]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H)	C[5,6](C[5,5,6]C[3,5,5]N[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[3,5,5]N[5,6]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,3|C<3>,3|C<4>}	C[5,6](C[5,5,6]C[3,5,5]N[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,6|H<1>}	118.1420	0.000	1	118.1420	0.000	1	114.7773	5.106	14	115.0841	5.274	16	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:4:3:1:	4:4:1:1:	4:3:3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C[6a]H)(H)2	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C[6a]H)(H)2{1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,4|H<1>}	113.3180	0.000	1	113.3180	0.000	1	114.7773	5.106	14	115.0841	5.274	16	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:4:3:1:	4:4:1:1:	4:3:3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,3|H<1>,5|C<4>}	117.8690	0.000	1	117.8690	0.000	1	114.7773	5.106	14	115.0841	5.274	16	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:4:3:1:	4:4:1:1:	4:3:3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2{1|C<3>,4|C<4>,4|H<1>}	117.3745	0.063	2	117.3745	0.004	2	114.7773	5.106	14	115.0841	5.274	16	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:4:3:1:	4:4:1:1:	4:3:3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]C[6a]H)(H)2	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,7|C<3>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]C[6a]H)(H)2{1|O<1>,7|C<3>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,3|C<3>,4|H<1>}	114.0350	0.000	1	113.4243	2.299	3	114.7773	5.106	14	115.0841	5.274	16	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:4:3:1:	4:4:1:1:	4:3:3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]C[6a]H)(H)2	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,7|C<3>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]C[6a]H)(H)2{1|O<1>,7|C<3>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	113.1190	2.010	2	113.4243	2.299	3	114.7773	5.106	14	115.0841	5.274	16	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:4:3:1:	4:4:1:1:	4:3:3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,2|C<3>,7|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2{1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,3|C<4>,4|H<1>}	115.2310	0.000	1	115.2310	0.000	1	114.7773	5.106	14	115.0841	5.274	16	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:4:3:1:	4:4:1:1:	4:3:3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H){4|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2{3|C<3>,4|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a,6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	112.2520	1.438	2	112.2520	2.069	2	114.7773	5.106	14	115.0841	5.274	16	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:4:3:1:	4:4:1:1:	4:3:3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H){3|C<3>,6|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(H)2{3|C<3>,4|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2{2|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	113.5190	0.000	1	113.5190	0.000	1	114.7773	5.106	14	115.0841	5.274	16	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:4:3:1:	4:4:1:1:	4:3:3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5a,6]C[5,5]C[6a])(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H)	C[5,6](C[5,5,6]C[5,5a,6]C[5,5]H)(C[5,6]C[5,5,6]C[6a]H)(H)2	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5a,6]C[5,5]C[6a])(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H){5|H<1>,6|C<3>}	C[5,6](C[5,5,6]C[5,5a,6]C[5,5]H)(C[5,6]C[5,5,6]C[6a]H)(H)2{2|H<1>,5|C<3>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	115.8910	0.000	1	115.8910	0.000	1	114.7773	5.106	14	115.0841	5.274	16	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:4:3:1:	4:4:1:1:	4:3:3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]C[6a]H)(H)2	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(H){1|C<3>,1|C<4>,1|N<2>,7|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]C[6a]H)(H)2{1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|N<4>,2|C<4>,4|H<1>}	113.3860	0.000	1	113.3860	0.000	1	114.7773	5.106	14	115.0841	5.274	16	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[3x5,6]-4:C[5,6]-4:N-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,6]C[3x5,6]HN)(C[6a]C[6a]2)(H)	C[5,6](C[3x5,6]N[5,5,6]S[5,5]S[5])(C[5,6]C[5,5,6]C[6a]H)(NOO)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,6]C[3x5,6]HN)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|S<2>,2|H<1>,4|C<3>}	C[5,6](C[3x5,6]N[5,5,6]S[5,5]S[5])(C[5,6]C[5,5,6]C[6a]H)(NOO)(H){2|C<4>,4|C<3>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|S<2>,3|C<3>,3|H<1>}	114.5150	0.000	1	114.5150	0.000	1	114.5150	0.000	1	115.2470	5.279	26	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(CCO)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(H){3|C<3>,6|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(CCO)(H){3|C<3>,4|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	115.4280	2.221	3	115.4280	4.931	3	114.7137	7.492	10	115.2470	5.279	26	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(CNN)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(H){2|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(CNN)(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	114.5000	0.000	1	113.9890	0.236	3	114.7137	7.492	10	115.2470	5.279	26	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(CNN)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(H){2|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(CNN)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	113.7335	0.284	2	113.9890	0.236	3	114.7137	7.492	10	115.2470	5.279	26	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(COS)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(H){3|C<3>,6|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(COS)(H){3|C<3>,4|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	112.9240	0.000	1	112.9240	0.000	1	114.7137	7.492	10	115.2470	5.279	26	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(CPdN)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(H){2|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(CPdN)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	118.1975	0.152	2	118.1975	0.023	2	114.7137	7.492	10	115.2470	5.279	26	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]C[6a])(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]C[6a])(C[5,6]C[5,5,6]C[6a]H)(COO)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]C[6a])(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,7|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]C[6a])(C[5,6]C[5,5,6]C[6a]H)(COO)(H){1|O<1>,7|C<3>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,5|C<3>}	109.5670	0.000	1	109.5670	0.000	1	114.7137	7.492	10	115.2470	5.279	26	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[5a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[5a]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[5a]N[5a]O[5a])(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[5a]H)(C[6a]C[6a]2)(H){1|C<4>,1|F<1>,1|N<2>,1|O<2>,2|C<3>,6|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[5a]N[5a]O[5a])(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	114.4540	0.000	1	114.4540	0.000	1	114.4540	0.000	1	115.2470	5.279	26	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[5,6a]C[6a])(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[5,6a]C[6a])(H){1|O<2>,2|C<4>,4|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H){2|Cl<1>,1|C<4>,4|C<3>,5|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	120.1240	0.000	1	120.1240	0.000	1	120.1240	0.000	1	115.2470	5.279	26	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	113.0490	0.000	1	115.0900	8.331	2	115.7616	3.386	5	115.2470	5.279	26	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	117.1310	0.000	1	115.0900	8.331	2	115.7616	3.386	5	115.2470	5.279	26	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]Cl)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H){2|Cl<1>,1|C<4>,4|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[5,6a]C[6a])(H){1|O<2>,2|C<4>,4|C<3>,5|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]Cl)2{2|Cl<1>,1|C<3>,1|N<2>,2|H<1>,3|C<4>}	116.0370	0.000	1	116.0370	0.000	1	115.7616	3.386	5	115.2470	5.279	26	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H){1|N<2>,5|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H){1|S<4>,5|C<3>,5|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<4>,3|H<1>,4|C<3>}	117.6490	0.000	1	117.6490	0.000	1	115.7616	3.386	5	115.2470	5.279	26	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)(C[6a]C[6a]S)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H){1|S<4>,5|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(H){1|N<2>,5|C<3>,5|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)(C[6a]C[6a]S){2|C<4>,3|C<3>,4|H<1>}	114.9420	0.000	1	114.9420	0.000	1	115.7616	3.386	5	115.2470	5.279	26	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6]-4:N-3:Br-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BrN)(C[6a]C[6a]2)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(NOO)(Br)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BrN)(C[6a]C[6a]2)(H){1|Br<1>,1|C<4>,2|C<3>,6|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(NOO)(Br){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<3>,1|N<3>,3|C<4>,3|H<1>}	117.5740	0.000	1	117.5740	0.000	1	117.5740	0.000	1	115.2470	5.279	26	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6]-4:N-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,6]S[5,5]C)(C[5,6]C[5,5,6]HN)(C[6a]C[6a]2)(H)	C[5,6](C[5,5,6]N[5,6]S[5,5]C[6a])(C[5,6]C[5,5,6]C[6a]H)(NOO)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,6]S[5,5]C)(C[5,6]C[5,5,6]HN)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5,5,6]N[5,6]S[5,5]C[6a])(C[5,6]C[5,5,6]C[6a]H)(NOO)(H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2{1|N<3>,1|S<2>,2|C<3>,2|C<4>,3|H<1>}	113.6377	0.505	4	113.6377	0.255	4	113.6377	0.255	4	115.2470	5.279	26	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5]C[6]H)2(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5,6]C[6a]H)(C[6]C[6]CH)(C[5]C[5]H)(H)	C[6a](C[5,6]C[5,6]2H)(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5]C[6]H)2(C[6a]C[6a]2)(H){1|O<2>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[6a]H)(C[6]C[6]CH)(C[5]C[5]H)(H){1|H<1>,2|O<2>,3|C<3>}	C[6a](C[5,6]C[5,6]2H)(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	116.5865	1.030	2	116.5865	1.061	2	116.4193	0.615	3	115.2470	5.279	26	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5,6]C[6a]H)(C[6]C[6,6a]CH)(C[5]O[5]O)(H)	C[6a](C[5,6]C[5,6]2H)(C[6a]C[6a]H)2	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6]C[6a]H)(C[6]C[6,6a]CH)(C[5]O[5]O)(H){1|H<1>,4|C<3>}	C[6a](C[5,6]C[5,6]2H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,4|H<1>}	116.0850	0.000	1	116.0850	0.000	1	116.4193	0.615	3	115.2470	5.279	26	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:4:3:1:	4:4:3:2:	4:3:3:	C[3x5,6,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[3x5,6,6]-4:C[5,6]-4:C[6a]-3:O-2:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]H)(C[5,6]C[3x5,6,6]C[6a]O)(C[6a]C[6a]2)(H)	C[5,6](C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]H)(C[5,6]C[3x5,6,6]C[6a]H)(C[6a]C[6a]2)(OH)	C[6a](C[5,6]C[3x5,6,6]C[5,6]H)(C[6a]C[6a]H)2	C[5,6](C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]H)(C[5,6]C[3x5,6,6]C[6a]O)(C[6a]C[6a]2)(H){3|C<4>,4|H<1>,5|C<3>}	C[5,6](C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]H)(C[5,6]C[3x5,6,6]C[6a]H)(C[6a]C[6a]2)(OH){3|C<4>,4|C<3>,5|H<1>}	C[6a](C[5,6]C[3x5,6,6]C[5,6]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	122.2670	0.000	1	122.2670	0.000	1	122.2670	0.000	1	120.0430	3.739	3	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:4:3:1:	4:4:3:2:	4:3:3:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-2:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5,6]C[6a]H)(C[5]C[5]HH)(C[6]O[6]N)(CN)	C[6a](C[5,6]C[5,6]2H)(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H){1|N<2>,1|O<2>,3|C<3>,7|H<1>}	C[5,6](C[5,6]C[5,6]C[6a]H)(C[5]C[5]HH)(C[6]O[6]N)(CN){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6]C[5,6]2H)(C[6a]C[6a]H)2{1|C<2>,2|C<3>,3|C<4>,3|H<1>}	118.9310	0.242	2	118.9310	0.058	2	118.9310	0.058	2	120.0430	3.739	3	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6]-4:P-4:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(C[6a]C[6a]2)(H)	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(PC[6a]2Pd)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(C[6a]C[6a]2)(H){1|Pd<4>,1|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(PC[6a]2Pd)(H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2{1|As<4>,1|C<4>,1|P<4>,2|C<3>,4|H<1>}	114.9500	0.000	1	114.9500	0.000	1	114.9500	0.000	1	115.9389	1.869	8	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6]-4:Si-4:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]SiH)(C[6a]C[6a]2)(H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]C[6a]H)(SiC3)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]Si)(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]SiH)(C[6a]C[6a]2)(H){1|Si<4>,2|H<1>,4|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]C[6a]H)(SiC3)(H){1|H<1>,4|C<3>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]Si)(C[6a]C[6a]H){1|Si<4>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	117.5630	0.000	1	117.5630	0.000	1	117.5630	0.000	1	115.9389	1.869	8	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5,5,6]C[6a]H)(C[5]C[5,5]HH)(C[6]C[6]HH)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,3|C<3>,7|H<1>}	C[5,6](C[5,6]C[5,5,6]C[6a]H)(C[5]C[5,5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2{1|N<2>,4|C<4>,4|H<1>}	116.2430	0.000	1	116.2430	0.000	1	116.6365	0.310	2	115.9389	1.869	8	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]N[5,6]C)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5,5,6]C[6a]H)(C[5]C[5,5]HH)(C[6]O[6]HO)(H)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5]N[5,6]C)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,2|C<3>,3|O<2>,6|H<1>}	C[5,6](C[5,6]C[5,5,6]C[6a]H)(C[5]C[5,5]HH)(C[6]O[6]HO)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,3|H<1>,4|C<4>}	117.0300	0.000	1	117.0300	0.000	1	116.6365	0.310	2	115.9389	1.869	8	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5,6]C[6a]H)(C[5]C[5]CH)(C[6]O[6]HH)(H)	C[6a](C[5,6]C[5,6]2H)(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H){1|N<2>,1|O<2>,3|C<3>,7|H<1>}	C[5,6](C[5,6]C[5,6]C[6a]H)(C[5]C[5]CH)(C[6]O[6]HH)(H){1|C<2>,2|H<1>,3|C<3>}	C[6a](C[5,6]C[5,6]2H)(C[6a]C[6a]H)2{1|C<2>,2|C<3>,3|C<4>,3|H<1>}	115.6610	0.573	2	115.6610	0.328	2	115.6610	0.328	2	115.9389	1.869	8	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5a,6]O[5]C)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5,6]C[6a]H)(C[6]C[5a,6]C[6a]H)(C[5]O[5]HH)(H)	C[6a](C[5,6]C[5,6]2H)(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5a,6]O[5]C)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H){1|N<3>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[6a]H)(C[6]C[5a,6]C[6a]H)(C[5]O[5]HH)(H){1|C<4>,6|C<3>}	C[6a](C[5,6]C[5,6]2H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	117.0200	0.000	1	117.0200	0.000	1	115.2015	6.614	2	115.9389	1.869	8	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5,6]C[6a]H)(C[6]C[6,6a]HH)(C[5]C[5]ClH)(H)	C[6a](C[5,6]C[5,6]2H)(C[6a]C[6a]H)2	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H){1|Cl<1>,1|O<1>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[6a]H)(C[6]C[6,6a]HH)(C[5]C[5]ClH)(H){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[5,6]C[5,6]2H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	113.3830	0.000	1	113.3830	0.000	1	115.2015	6.614	2	115.9389	1.869	8	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:4:3:1:	4:4:4:3:	4:3:3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:C-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]CC)(C[6a]C[6a]2)(H)	C[5,6](C[5,5,6]O[5,5]O[5,6]C)(C[5,6]C[5,5,6]C[6a]H)(CHHS)(COO)	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]CC)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5,6](C[5,5,6]O[5,5]O[5,6]C)(C[5,6]C[5,5,6]C[6a]H)(CHHS)(COO){1|C<4>,3|C<3>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>,3|C<4>}	118.0200	0.000	1	118.0200	0.000	1	118.0200	0.000	1	118.0200	0.000	1	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:4:3:2:	4:3:4:1:	4:3:3:	C[5,6]-4:C[6]-4:C[6a]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[5]C[5])	C[5,6](C[5,6]C[6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]CH)(H)	C[6a](C[5,6]C[5,6]C[6]O[5])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[5]C[5]){1|O<1>,4|H<1>,7|C<3>}	C[5,6](C[5,6]C[6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]CH)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5,6]C[5,6]C[6]O[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,4|C<3>,4|H<1>}	113.2410	0.000	1	113.2410	0.000	1	112.5605	0.926	2	112.5605	0.926	2	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:4:3:2:	4:3:4:1:	4:3:3:	C[5,6]-4:C[6]-4:C[6a]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[5]C[5])	C[5,6](C[5,6]C[6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(H)	C[6a](C[5,6]C[5,6]C[6]O[5])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[5]C[5]){6|C<3>,7|H<1>}	C[5,6](C[5,6]C[6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(H){1|N<3>,4|H<1>,5|C<3>}	C[6a](C[5,6]C[5,6]C[6]O[5])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,4|H<1>}	111.8800	0.000	1	111.8800	0.000	1	112.5605	0.926	2	112.5605	0.926	2	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:4:3:2:	4:4:1:1:	4:3:3:	C[3x5,6,6]-4:C[5,6]-4:C[6a]-3:O-2:	C[3x5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]H)(C[5,6]C[3x5,6,6]HH)(C[6a]C[6a]2)(OH)	C[5,6](C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]H)(C[5,6]C[3x5,6,6]C[6a]O)(H)2	C[6a](C[5,6]C[3x5,6,6]C[5,6]O)(C[6a]C[6a]H)2	C[5,6](C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]H)(C[5,6]C[3x5,6,6]HH)(C[6a]C[6a]2)(OH){2|C<3>,3|C<4>,5|H<1>}	C[5,6](C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]H)(C[5,6]C[3x5,6,6]C[6a]O)(H)2{2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6]C[3x5,6,6]C[5,6]O)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,5|H<1>}	114.8420	0.000	1	114.8420	0.000	1	114.8420	0.000	1	115.8915	2.203	2	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:4:3:2:	4:4:1:1:	4:3:3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:O-2:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(OC[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]O)(H)2	C[6a](C[5,6]C[5,5,6]C[5,6]O)(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(OC[6]){2|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]O)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[6a](C[5,6]C[5,5,6]C[5,6]O)(C[6a]C[6a]H)2{1|C<3>,4|C<4>,4|H<1>}	116.9410	0.000	1	116.9410	0.000	1	116.9410	0.000	1	115.8915	2.203	2	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:4:3:2:	4:4:2:1:	4:3:3:	C[5,6]-4:C[5]-4:C[6a]-3:O[6]-2:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5,6]HO)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])	C[5,6](C[5,6]C[6a]C[5]O[6])(C[5,6]C[6,6a]C[5]O)(OH)(H)	C[6a](C[5,6]C[5,6]C[5]O[6])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5,6]HO)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a]){1|O<2>,3|H<1>,7|C<3>}	C[5,6](C[5,6]C[6a]C[5]O[6])(C[5,6]C[6,6a]C[5]O)(OH)(H){2|H<1>,6|C<3>}	C[6a](C[5,6]C[5,6]C[5]O[6])(C[6a]C[6a]H)2{1|O<2>,2|C<4>,3|C<3>,4|H<1>}	117.2365	0.095	2	117.2365	0.009	2	117.2365	0.009	2	117.2365	0.009	2	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:4:3:2:	4:4:3:1:	4:3:3:	C[3x5,6,6]-4:C[5,6]-4:C[6a]-3:O-2:	C[3x5,6,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]H)(C[5,6]C[3x5,6,6]C[6a]H)(C[6a]C[6a]2)(OH)	C[5,6](C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]H)(C[5,6]C[3x5,6,6]C[6a]O)(C[6a]C[6a]2)(H)	C[6a](C[5,6]C[3x5,6,6]C[5,6]O)(C[6a]C[6a]H)2	C[5,6](C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]H)(C[5,6]C[3x5,6,6]C[6a]H)(C[6a]C[6a]2)(OH){3|C<4>,4|C<3>,5|H<1>}	C[5,6](C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]H)(C[5,6]C[3x5,6,6]C[6a]O)(C[6a]C[6a]2)(H){3|C<4>,4|H<1>,5|C<3>}	C[6a](C[5,6]C[3x5,6,6]C[5,6]O)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,4|H<1>}	112.4010	0.000	1	112.4010	0.000	1	112.4010	0.000	1	112.4010	0.000	1	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:4:3:2:	4:4:4:4:	4:3:3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:O-2:	C[5,5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(C[6a]C[6a]2)(OH)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]O)(CH3)2	C[6a](C[5,6]C[5,5,6]C[5,6]O)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(C[6a]C[6a]2)(OH){1|C<4>,3|C<3>,6|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]O)(CH3)2{2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]O)(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>,6|C<4>}	114.1420	0.000	1	113.3745	1.178	2	113.5971	2.017	22	113.5971	2.017	22	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:4:3:2:	4:4:4:4:	4:3:3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:O-2:	C[5,5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(C[6a]C[6a]2)(OH)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]O)(CH3)2	C[6a](C[5,6]C[5,5,6]C[5,6]O)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(C[6a]C[6a]2)(OH){1|C<4>,3|C<3>,6|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]O)(CH3)2{2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]O)(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>,6|C<4>}	112.6070	0.000	1	113.3745	1.178	2	113.5971	2.017	22	113.5971	2.017	22	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:4:3:2:	4:4:4:4:	4:3:3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:O-2:	C[5,5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(C[6a]C[6a]2)(OH)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]O)(CH3)2	C[6a](C[5,6]C[5,5,6]C[5,6]O)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(C[6a]C[6a]2)(OH){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]O)(CH3)2{2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]O)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|H<1>,6|C<4>}	111.5875	0.414	2	111.5875	0.171	2	113.5971	2.017	22	113.5971	2.017	22	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:4:3:2:	4:4:4:4:	4:3:3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:O-2:	C[5,5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(C[6a]C[6a]2)(OP)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]O)(CH3)2	C[6a](C[5,6]C[5,5,6]C[5,6]O)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(C[6a]C[6a]2)(OP){1|C<4>,3|C<3>,6|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]O)(CH3)2{2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6]O)(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>,6|C<4>}	113.8452	1.366	18	113.8452	1.866	18	113.5971	2.017	22	113.5971	2.017	22	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:4:3:3:	4:4:1:1:	4:3:3:	C[5,6]-4:C[6]-4:C[6a]-3:C[5]-3:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5a]N[6]H)(C[6a]C[6a]2)(C[5]C[5]O)	C[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[5]C[6]C)(H)2	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[5a]N[6]H)(C[6a]C[6a]2)(C[5]C[5]O){2|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[5]C[6]C)(H)2{1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	116.1890	0.000	1	116.1890	0.000	1	116.1890	0.000	1	116.7843	1.007	3	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:4:3:3:	4:4:1:1:	4:3:3:	C[6,6]-4:C[5,6]-4:C[6a]-3:C[5]-3:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[6,6]C[6,6a]N[6,6]H)(C[5,6]C[5,6]HH)(C[6a]C[6a]2)(C[5]C[5]O)	C[5,6](C[5,6]C[6,6]C[6a]C[5])(C[5,6]C[5]C[6]C)(H)2	C[6a](C[5,6]C[5,6]C[6,6]C[5])(C[6a]C[6a]H)2	C[5,6](C[6,6]C[6,6a]N[6,6]H)(C[5,6]C[5,6]HH)(C[6a]C[6a]2)(C[5]C[5]O){1|O<2>,2|H<1>,3|C<4>,5|C<3>}	C[5,6](C[5,6]C[6,6]C[6a]C[5])(C[5,6]C[5]C[6]C)(H)2{1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5,6]C[5,6]C[6,6]C[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	117.0820	1.218	2	117.0820	1.483	2	117.0820	1.483	2	116.7843	1.007	3	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:4:3:3:	4:4:3:1:	4:3:3:	C[5,6]-4:C[6]-4:C[6a]-3:C[5]-3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[5]O[5]O)	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O)(H)	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[5]O[5]O){1|O<1>,4|H<1>,6|C<3>}	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	114.9440	0.000	1	114.9440	0.000	1	114.9440	0.000	1	114.9440	0.000	1	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6a]	4:4:3:4:	3:4:3:1:	4:3:3:	C[5,6]-4:P[5]-4:C[6a]-3:C[6]-4:	C[5,6a]-3:C[5,6]-4:C[6,6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(P[5]C[5,6a]C[6a]O)(C[6a]C[6a]2)(C[6]C[6]HH)	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6a]C[6]P[5])(C[6,6a]C[6,6a]C[6a])(H)	C[6a](C[5,6]C[5,6]C[6]P[5])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(P[5]C[5,6a]C[6a]O)(C[6a]C[6a]2)(C[6]C[6]HH){4|H<1>,8|C<3>}	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6a]C[6]P[5])(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|O<1>,3|H<1>,8|C<3>}	C[6a](C[5,6]C[5,6]C[6]P[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,5|C<3>,5|H<1>}	110.5820	0.349	2	110.5820	0.122	2	110.5820	0.122	2	110.5820	0.122	2	113.9195	7.840	184	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:2:4:1:	4:4:1:1:	3:4:3:	C[6,6a]-3:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[5]-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])(O[5,6]C[5,6])(C[5]C[5]HH)(H)	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]C[6a]H)(H)2	C[6,6a](C[6,6a]C[3,6]C[6a])(C[5,6]O[5,6]C[5]H)(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]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]C[6a]H)(H)2{1|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[5,6]O[5,6]C[5]H)(C[6a]C[6a]H){1|C<3>,4|C<4>,4|H<1>}	111.4800	0.000	1	111.4800	0.000	1	111.4800	0.000	1	111.4800	0.000	1	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:2:4:1:	4:4:1:1:	4:3:3:	C[6,6a]-3:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[5,5]-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])(O[5,6]C[5,5,6])(C[5]C[5,5]HH)(H)	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5,5]C[5,5,6]C[5]H)(H)2	C[6,6a](C[5,6]O[5,6]C[5]H)(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[5,5,6])(C[5]C[5,5]HH)(H){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5,5]C[5,5,6]C[5]H)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	113.3820	0.000	1	113.3820	0.000	1	113.3820	0.000	1	112.7516	0.798	5	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:2:4:1:	4:4:1:1:	4:3:3:	C[6,6a]-3:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[5]-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])(O[5,6]C[5,6])(C[5]C[5]HH)(H)	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]CC)(H)2	C[6,6a](C[5,6]O[5,6]C[5]H)(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]HH)(H){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]CC)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,6|H<1>}	111.7820	0.000	1	111.7820	0.000	1	112.5940	0.898	4	112.7516	0.798	5	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:2:4:1:	4:4:1:1:	4:3:3:	C[6,6a]-3:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[5]-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])(O[5,6]C[5,6])(C[5]C[5]HH)(H)	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]CH)(H)2	C[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	112.2190	0.000	1	112.2190	0.000	1	112.5940	0.898	4	112.7516	0.798	5	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:2:4:1:	4:4:1:1:	4:3:3:	C[6,6a]-3:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[5]-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])(O[5,6]C[5,6])(C[5]C[5]HH)(H)	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]HO)(H)2	C[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]O[6a]S[6])(C[6a]C[6a,6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HH)(H){1|H<1>,1|O<1>,1|S<2>,2|C<3>,2|O<2>}	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]HO)(H)2{1|S<2>,3|C<3>}	C[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]O[6a]S[6])(C[6a]C[6a,6a]O){2|C<3>,2|C<4>,2|H<1>}	113.1875	1.091	2	113.1875	1.190	2	112.5940	0.898	4	112.7516	0.798	5	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:2:4:1:	4:4:2:1:	4:3:3:	C[6,6a]-3:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2: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[5,6,6])(C[5]C[5,6]HO)(H)	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5,6]C[5,6,6]C[6]H)(OH)(H)	C[6,6a](C[5,6]O[5,6]C[5]H)(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[5,6,6])(C[5]C[5,6]HO)(H){2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5,6]C[5,6,6]C[6]H)(OH)(H){2|C<3>,5|C<4>}	C[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	111.4700	0.000	1	111.4700	0.000	1	111.4700	0.000	1	111.4700	0.000	1	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:2:4:1:	4:4:4:1:	3:4:3:	C[6,6a]-3:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH)(H)	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]CH)(CH3)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[5,6]O[5,6]C[5]H)(C[6a]C[5,6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH)(H){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]CH)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[5,6]O[5,6]C[5]H)(C[6a]C[5,6a]H){1|H<1>,2|O<2>,3|C<3>,3|C<4>}	112.9020	0.000	1	112.9020	0.000	1	112.9020	0.000	1	112.9020	0.000	1	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:3:2:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[6,6a]-3:O[6]-2:C[5]-4:	C[5,6]-4:C[5]-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])(O[6]C[6,6a])(C[5]C[5]HH)	C[5](C[5,6]C[5,6a]C[6,6a]O[6])(C[5]C[5,6a]HH)(H)2	C[6,6a](C[5,6]C[5,6a]C[5]O[6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[5]C[5]HH){4|H<1>,6|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]O[6])(C[5]C[5,6a]HH)(H)2{5|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5]O[6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	111.9830	0.000	1	111.9830	0.000	1	111.9830	0.000	1	111.9830	0.000	1	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:3:3:4:	4:3:1:1:	4:3:3:	C[6,6a]-3:C[6,6a]-3:N[5]-3:C[5]-4:	C[5,6]-4:C[5]-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])2(N[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[5,6]C[6,6a]2N[5])(C[5]C[6a]N[5])(H)2	C[6,6a](C[5,6]C[6,6a]C[5]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])2(N[5]C[6a]N[5])(C[5]C[5]HH){2|H<1>,8|C<3>}	C[5](C[5,6]C[6,6a]2N[5])(C[5]C[6a]N[5])(H)2{7|C<3>}	C[6,6a](C[5,6]C[6,6a]C[5]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,1|O<1>,4|H<1>,5|C<3>}	109.2720	0.444	2	109.2720	0.197	2	109.2720	0.197	2	109.2720	0.197	2	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:3:4:1:	4:2:1:1:	3:4:3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:O[5]-2: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])(N[5,6]C[5,6]C[5])(C[5]O[5]HH)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(O[5]C[5])(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[5,6]N[5,6]C[5]H)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[6,6a]N[5,6]H)(O[5]C[5])(H)2{1|C<4>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[5,6]N[5,6]C[5]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	116.5870	0.000	2	116.5870	0.000	2	116.5870	0.000	2	116.5870	0.000	2	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:3:4:1:	4:2:1:1:	4:3:3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:O[5]-2: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]O[5]HH)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(O[5]C[5])(H)2	C[6,6a](C[5,6]N[5,6]C[5]H)(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]O[5]HH)(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[5](C[5,6]C[6,6a]N[5,6]H)(O[5]C[5])(H)2{2|C<4>,3|C<3>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,5|H<1>}	117.8660	0.000	1	117.8660	0.000	1	117.8660	0.000	1	117.8660	0.000	1	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:3:4:1:	4:2:3:1:	4:3:3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:N[5]-2:C-3: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]S[6])(C[5]N[5]CH)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(N[5]C[5])(COO)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(C[5]N[5]CH)(H){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C[5](C[5,6]C[6,6a]N[5,6]H)(N[5]C[5])(COO)(H){1|H<1>,1|S<4>,2|C<3>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<2>,1|S<4>,3|C<3>,3|H<1>}	113.2300	0.000	1	113.2300	0.000	1	113.2300	0.000	1	113.2300	0.000	1	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:3:4:1:	4:3:1:1:	4:3:3:	C[6,6a]-3:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-3:Cl-1:Cl-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[5]C[5]Cl2)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5]O)(Cl)2	C[6,6a](C[5,6]C[5,6]C[5]H)(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[5]C[5]Cl2)(H){1|C<4>,1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5]O)(Cl)2{1|S<4>,3|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|Cl<1>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	118.5350	0.000	1	118.5350	0.000	1	118.5350	0.000	1	116.0752	12.801	8	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:3:4:1:	4:3:1:1:	4:3:3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-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])(N[5,6]C[5]N[6])(C[5]C[5]HH)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]C)(H)2	C[6,6a](C[5,6]N[5,6]C[5]H)(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]N[6])(C[5]C[5]HH)(H){1|H<1>,2|C<2>,4|C<3>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]C)(H)2{1|N<2>,2|C<2>,2|C<3>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	119.3655	0.469	2	119.3655	0.220	2	115.7239	13.782	7	116.0752	12.801	8	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:3:4:1:	4:3:1:1:	4:3:3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-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])(N[5,6]C[6]N[5])(C[5]C[5]HH)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[6a]N[5])(H)2	C[6,6a](C[5,6]N[5,6]C[5]H)(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[6]N[5])(C[5]C[5]HH)(H){1|N<3>,2|H<1>,4|C<3>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[6a]N[5])(H)2{1|C<4>,4|C<3>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	112.7093	0.338	3	112.7093	0.114	3	115.7239	13.782	7	116.0752	12.801	8	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:3:4:1:	4:3:1:1:	4:3:3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-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])(N[5,6]C[6]N[5])(C[5]C[5]HH)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]C)(H)2	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]HH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]C)(H)2{3|C<3>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<2>,3|C<3>,4|H<1>}	120.2720	0.000	1	116.6040	26.908	2	115.7239	13.782	7	116.0752	12.801	8	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:3:4:1:	4:3:1:1:	4:3:3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-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])(N[5,6]C[6]N[5])(C[5]C[5]HH)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]C)(H)2	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]HH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]C)(H)2{1|C<4>,2|C<3>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	112.9360	0.000	1	116.6040	26.908	2	115.7239	13.782	7	116.0752	12.801	8	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:3:4:1:	4:3:3:1:	4:3:3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-3:C-3: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]CH)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]C)(COO)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(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]CH)(H){2|H<1>,5|C<3>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]C)(COO)(H){4|C<3>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){4|H<1>,5|C<3>}	118.7820	0.000	1	118.7820	0.000	1	117.6100	2.747	2	117.6100	2.747	2	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:3:4:1:	4:3:3:1:	4:3:3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-3:C-3: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[6]N[5])(C[5]C[5]CH)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]O)(CC[6a]C)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(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[6]N[5])(C[5]C[5]CH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]O)(CC[6a]C)(H){1|C<4>,3|C<3>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	116.4380	0.000	1	116.4380	0.000	1	117.6100	2.747	2	117.6100	2.747	2	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:3:4:1:	4:3:3:3:	4:3:3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5,6a]-3:C-3:C-3:	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[5,6a]C[6])(C[5]C[5,6a]CC)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(COO)2	C[6,6a](C[5,6]N[5,6]C[5]H)(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[5,6a]C[6])(C[5]C[5,6a]CC)(H){2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(COO)2{1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	118.3570	0.000	1	118.3570	0.000	1	118.3570	0.000	1	118.3570	0.000	1	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:3:4:1:	4:3:4:1:	4:3:3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-3:C-4: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[6]N[5])(C[5]C[5]CH)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]O)(CC[6a]HH)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(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[6]N[5])(C[5]C[5]CH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]O)(CC[6a]HH)(H){1|C<4>,3|C<3>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|C<3>,2|C<4>,4|H<1>}	117.4990	0.000	2	117.4990	0.000	2	117.4990	0.000	2	117.4990	0.000	2	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:3:4:1:	4:4:1:1:	3:4:3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6a,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH)(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5,6]N[5,6]C[5]H)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|O<1>,4|C<3>,4|H<1>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5,6]N[5,6]C[5]H)(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	114.6080	0.000	1	114.6080	0.000	1	114.6080	0.000	1	115.5157	0.838	3	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:3:4:1:	4:4:1:1:	3:4:3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6a,6a]-3:C[5,6]-4:C[6,6a]-3:	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]O[5]O[6])(C[5]C[5]HH)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]O[5]CH)(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]O[5]O[6])(C[5]C[5]HH)(H){1|H<1>,2|C<4>,3|C<3>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]O[5]CH)(H)2{1|O<2>,2|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6]){1|O<1>,2|C<3>,2|C<4>,3|O<2>,4|H<1>}	115.9695	0.664	2	115.9695	0.441	2	115.9695	0.441	2	115.5157	0.838	3	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:3:4:1:	4:4:1:1:	4:3:3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5,5]-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])(N[5,6]C[5,5]C[6])(C[5]C[5,5]HH)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5,5]C[5,5]C[5]H)(H)2	C[6,6a](C[5,6]N[5,6]C[5]H)(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[5,5]C[6])(C[5]C[5,5]HH)(H){2|C<4>,3|C<3>,5|H<1>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5,5]C[5,5]C[5]H)(H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	118.2900	0.000	1	118.2900	0.000	1	118.2900	0.000	1	116.7113	4.577	4	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:3:4:1:	4:4:1:1:	4:3:3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5,6]-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])(N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5,6]C[6]H)(H)2	C[6,6a](C[5,6]N[5,6]C[5]H)(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[5,6]C[6])(C[5]C[5,6]HH)(H){2|C<4>,3|C<3>,5|H<1>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5,6]C[6]H)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,6|H<1>}	115.2010	0.000	1	115.2010	0.000	1	115.2010	0.000	1	116.7113	4.577	4	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:3:4:1:	4:4:1:1:	4:3:3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-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])(N[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH)(H)2	C[6,6a](C[5,6]N[5,6]C[5]H)(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)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	114.5610	0.000	1	114.5610	0.000	1	116.6770	8.955	2	116.7113	4.577	4	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:3:4:1:	4:4:1:1:	4:3:3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-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])(N[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HN)(H)2	C[6,6a](C[5,6]N[5,6]C[5]H)(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)(H){1|N<3>,2|C<2>,3|C<3>,3|H<1>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HN)(H)2{2|C<2>,3|C<3>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	118.7930	0.000	1	118.7930	0.000	1	116.6770	8.955	2	116.7113	4.577	4	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:3:4:1:	4:4:2:1:	4:3:3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-2: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[6]N[5])(C[5]C[5]CH)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]HH)(CN)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(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[6]N[5])(C[5]C[5]CH)(H){1|C<4>,3|C<3>,5|H<1>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]HH)(CN)(H){1|C<4>,3|C<3>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,1|C<3>,1|N<3>,2|C<4>,5|H<1>}	114.7250	1.243	2	114.7250	1.545	2	114.7250	1.545	2	114.7250	1.545	2	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:3:4:1:	4:4:2:2:	4:3:3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-2:C-2:	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]S[6])(C[5]C[5]CC)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH)(CN)2	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(C[5]C[5]CC)(H){1|O<2>,2|O<1>,3|C<3>,4|H<1>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH)(CN)2{1|H<1>,1|S<4>,3|C<3>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<2>,2|C<4>,2|H<1>}	113.1880	0.000	1	113.1880	0.000	1	113.1880	0.000	1	113.1880	0.000	1	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:3:4:1:	4:4:3:1:	4:3:3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C-3: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[5,6]C[6])(C[5]C[5,6]CH)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5,6]C[6]H)(COO)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(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[5,6]C[6])(C[5]C[5,6]CH)(H){2|C<4>,3|C<3>,5|H<1>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5,6]C[5,6]C[6]H)(COO)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,5|H<1>}	115.9330	0.000	1	115.9330	0.000	1	115.9330	0.000	1	115.2027	3.548	10	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:3:4:1:	4:4:3:1:	4:3:3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-3: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[5,6]C[6a])(C[5]C[5]CH)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]CH)(COO)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6a])(C[5]C[5]CH)(H){3|H<1>,6|C<3>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]CH)(COO)(H){1|H<1>,4|C<3>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	113.8300	0.000	1	113.8300	0.000	1	115.2034	5.154	7	115.2027	3.548	10	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:3:4:1:	4:4:3:1:	4:3:3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-3: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[5,6]O)(C[5]C[5]CH)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]HH)(CN[5]O)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(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[5,6]O)(C[5]C[5]CH)(H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]HH)(CN[5]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	111.7910	0.000	1	111.7910	0.000	1	115.2034	5.154	7	115.2027	3.548	10	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:3:4:1:	4:4:3:1:	4:3:3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-3: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]CH)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]CH)(COO)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(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]CH)(H){1|C<4>,4|C<3>,5|H<1>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]CH)(COO)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,5|H<1>}	116.0000	0.000	1	116.0000	0.000	1	115.2034	5.154	7	115.2027	3.548	10	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:3:4:1:	4:4:3:1:	4:3:3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-3: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]CH)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH)(CC[6a]O)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(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]CH)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH)(CC[6a]O)(H){1|C<4>,1|O<1>,2|C<3>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,2|C<4>,3|C<3>,4|H<1>}	117.8330	0.000	1	117.8330	0.000	1	115.2034	5.154	7	115.2027	3.548	10	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:3:4:1:	4:4:3:1:	4:3:3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-3: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]CH)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[6a]C[5]H)(CHO)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(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]CH)(H){2|C<2>,3|H<1>,4|C<3>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[6a]C[5]H)(CHO)(H){2|C<2>,5|C<3>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	118.0470	0.000	1	118.0470	0.000	1	115.2034	5.154	7	115.2027	3.548	10	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:3:4:1:	4:4:3:1:	4:3:3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-3: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]S[6])(C[5]C[5]CH)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH)(CCH)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(C[5]C[5]CH)(H){1|C<4>,1|O<2>,2|C<3>,2|O<1>,4|H<1>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH)(CCH)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	113.8890	0.000	1	113.8890	0.000	1	115.2034	5.154	7	115.2027	3.548	10	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:3:4:1:	4:4:3:1:	4:3:3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-3: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[6]N[5])(C[5]C[5]CH)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[6a]N[5]H)(CC[5a]O)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(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[6]N[5])(C[5]C[5]CH)(H){1|C<4>,4|C<3>,4|H<1>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[6a]N[5]H)(CC[5a]O)(H){1|C<4>,5|C<3>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	115.0340	0.000	1	115.0340	0.000	1	115.2034	5.154	7	115.2027	3.548	10	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:3:4:1:	4:4:3:1:	4:3:3:	N[5,6,6]-3:C[6,6a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](N[5,6,6]C[6,6,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(H)	C[5](C[5,6]N[5,6,6]C[6,6a]H)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[6,6a](C[5,6]N[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[5,6](N[5,6,6]C[6,6,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(H){3|H<1>,8|C<3>}	C[5](C[5,6]N[5,6,6]C[6,6a]H)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H){2|H<1>,9|C<3>}	C[6,6a](C[5,6]N[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	114.8350	0.450	2	114.8350	0.202	2	114.8350	0.202	2	115.2027	3.548	10	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:3:4:1:	4:4:3:3:	4:3:3:	C[6,6a]-3:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-3:C-3:	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]C)(C[5]C[5]CC)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]HH)(COO)2	C[6,6a](C[5,6]C[5,6]C[5]H)(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]C)(C[5]C[5]CC)(H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]HH)(COO)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,4|C<3>,4|H<1>}	110.6908	0.415	6	110.6908	0.172	6	110.6908	0.172	6	111.6181	6.323	8	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:3:4:1:	4:4:3:3:	4:3:3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-3:C-3:	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[5,6]S)(C[5]C[5]CC)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]HH)(COO)2	C[6,6a](C[5,6]N[5,6]C[5]H)(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[5,6]S)(C[5]C[5]CC)(H){3|C<3>,4|H<1>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]HH)(COO)2{1|H<1>,1|S<4>,3|C<3>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|S<4>,2|C<4>,2|H<1>,4|C<3>}	111.0260	0.000	1	111.0260	0.000	1	111.0260	0.000	1	111.6181	6.323	8	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:3:4:1:	4:4:3:3:	4:3:3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:S-3:C-3:	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]CS)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]CH)(SC[6a]O)(COO)	C[6,6a](C[5,6]N[5,6]C[5]H)(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]CS)(H){1|C<4>,4|C<3>,4|H<1>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]CH)(SC[6a]O)(COO){1|H<1>,4|C<3>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|S<3>,2|C<4>,3|C<3>,3|H<1>}	117.7740	0.000	1	117.7740	0.000	1	117.7740	0.000	1	111.6181	6.323	8	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:3:4:1:	4:4:4:1:	3:4:3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[6a,6a]-3:C[5,6]-4:C[6,6a]-3:	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]O[5]O[6])(C[5]C[5]CH)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]O[5]HO)(CH3)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]O[5]O[6])(C[5]C[5]CH)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]O[5]HO)(CH3)(H){1|O<2>,2|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6]){1|O<1>,2|C<3>,3|C<4>,3|H<1>,3|O<2>}	118.8050	0.000	1	118.8050	0.000	1	118.8050	0.000	1	118.8050	0.000	1	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:3:4:1:	4:4:4:1:	4:3:3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4: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]CH)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH)(CHHO)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(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]CH)(H){1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH)(CHHO)(H){2|H<1>,3|C<3>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	118.5140	0.000	1	118.5140	0.000	1	115.6967	3.830	4	116.3452	4.975	5	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:3:4:1:	4:4:4:1:	4:3:3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4: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[6]N[5])(C[5]C[5]CH)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]CH)(CHHN)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(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[6]N[5])(C[5]C[5]CH)(H){2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]CH)(CHHN)(H){1|C<4>,3|C<3>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	114.3760	0.187	2	114.3760	0.035	2	115.6967	3.830	4	116.3452	4.975	5	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:3:4:1:	4:4:4:1:	4:3:3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4: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[6]N[5])(C[5]C[5]CH)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]CH)(CHHO)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(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[6]N[5])(C[5]C[5]CH)(H){2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]CH)(CHHO)(H){1|C<4>,3|C<3>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|N<3>,3|C<4>,4|H<1>}	115.5210	0.000	1	115.5210	0.000	1	115.6967	3.830	4	116.3452	4.975	5	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:3:4:1:	4:4:4:1:	4:3:3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:S-4: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]HS)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HS)(SC[6a]OO)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(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]HS)(H){1|C<4>,1|S<4>,2|C<3>,6|H<1>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HS)(SC[6a]OO)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,1|S<4>,3|C<4>,4|H<1>}	118.9390	0.000	1	118.9390	0.000	1	118.9390	0.000	1	116.3452	4.975	5	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:3:4:1:	4:4:4:3:	4:3:3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:N-3:	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[6]N[5])(C[5]C[5]CN)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[6a]N[5]H)(CH3)(NOO)	C[6,6a](C[5,6]N[5,6]C[5]H)(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[6]N[5])(C[5]C[5]CN)(H){1|N<2>,1|N<3>,1|S<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[6a]N[5]H)(CH3)(NOO){1|S<4>,5|C<3>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>,2|N<3>}	116.3525	1.317	2	116.3525	1.735	2	116.3525	1.735	2	116.3525	1.735	2	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:3:4:2:	4:2:3:1:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[5]-4:N[5]-2:	C[5,6]-4:S[5]-2:C-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])2(C[5]S[5]CH)(N[5]C[5])	C[5](C[5,6]C[6,6a]2N[5])(S[5]C[5])(COO)(H)	C[6,6a](C[5,6]C[6,6a]C[5]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])2(C[5]S[5]CH)(N[5]C[5]){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,6]C[6,6a]2N[5])(S[5]C[5])(COO)(H){1|O<2>,4|C<3>}	C[6,6a](C[5,6]C[6,6a]C[5]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<2>,4|H<1>,5|C<3>}	109.5095	1.428	2	109.5095	2.038	2	109.5095	2.038	2	109.5095	2.038	2	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:3:4:2:	4:3:2:1:	4:3:3:	C[5,6,6a]-3:C[6,6a]-3:C[5]-4:O-2:	C[5,6]-4:C[6a]-3:O[5]-2: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[6,6a]C[6,6a]C[6a])(C[5]C[6a]O[5]H)(OH)	C[5](C[5,6]C[5,6,6a]C[6,6a]O)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	C[6,6a](C[5,6]C[5,6,6a]C[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]O[5]H)(OH){1|O<2>,7|C<3>}	C[5](C[5,6]C[5,6,6a]C[6,6a]O)(C[6a]C[6a]2)(O[5]C[5,6a])(H){2|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6,6a]C[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	121.1585	0.518	2	121.1585	0.269	2	121.1585	0.269	2	121.1585	0.269	2	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:3:4:3:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[5]-4:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6]C[6]H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6]C[6]H){3|H<1>,8|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]2)(H){3|H<1>,9|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	115.1285	0.636	2	115.1285	0.404	2	115.1285	0.404	2	113.1177	12.332	3	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:3:4:3:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[5]-4:C[6]-3:	C[5,6]-4:N[5]-3:C-3: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]N[5]CH)(C[6]C[6]C)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]C)(COO)(H)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(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])(C[5]N[5]CH)(C[6]C[6]C){2|H<1>,3|C<4>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]C)(COO)(H){1|C<4>,5|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,5|C<3>,5|H<1>}	109.0960	0.000	1	109.0960	0.000	1	109.0960	0.000	1	113.1177	12.332	3	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:3:4:3:	4:3:4:1:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[5]-4:N[5]-3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])2(C[5]C[6a]C[5]H)(N[5]C[5]C)	C[5](C[5,6]C[6,6a]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6,6a](C[5,6]C[6,6a]C[5]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])2(C[5]C[6a]C[5]H)(N[5]C[5]C){1|C<4>,1|O<1>,4|H<1>,6|C<3>}	C[5](C[5,6]C[6,6a]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,2|C<4>,6|C<3>}	C[6,6a](C[5,6]C[6,6a]C[5]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,4|H<1>,6|C<3>}	109.7800	8.398	2	109.7800	70.520	2	109.7800	70.520	2	109.7800	70.520	2	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:3:4:3:	4:4:1:1:	3:4:3:	C[6,6a]-3:C[5]-3:C[5]-4:N[6]-3:	C[5,6]-4:C[5]-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]C[5a]N[5])(C[5]C[5]HH)(N[6]C[6]C)	C[5](C[5,6]C[6,6a]C[5]N[6])(C[5]N[5]HH)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[5,6]C[5]2N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]N[5])(C[5]C[5]HH)(N[6]C[6]C){1|N<2>,1|N<3>,3|C<3>,4|H<1>}	C[5](C[5,6]C[6,6a]C[5]N[6])(C[5]N[5]HH)(H)2{1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[5,6]C[5]2N[6])(C[6a]C[6a]H){1|N<2>,2|C<4>,3|C<3>,4|H<1>}	112.0310	0.000	1	112.1890	0.050	2	112.1890	0.050	2	112.1890	0.050	2	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:3:4:3:	4:4:1:1:	3:4:3:	C[6,6a]-3:C[5]-3:C[5]-4:N[6]-3:	C[5,6]-4:C[5]-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]C[5a]N[5])(C[5]C[5]HH)(N[6]C[6]C)	C[5](C[5,6]C[6,6a]C[5]N[6])(C[5]N[5]HH)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[5,6]C[5]2N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]N[5])(C[5]C[5]HH)(N[6]C[6]C){2|N<3>,3|C<3>,5|H<1>}	C[5](C[5,6]C[6,6a]C[5]N[6])(C[5]N[5]HH)(H)2{2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[5,6]C[5]2N[6])(C[6a]C[6a]H){1|N<2>,1|S<4>,2|C<3>,3|C<4>,4|H<1>}	112.3470	0.000	1	112.1890	0.050	2	112.1890	0.050	2	112.1890	0.050	2	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:3:4:3:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[5]-4:C[6]-3:	C[5,6]-4:C[5]-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]C[5]HH)(C[6]C[6]O)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]HH)(H)2	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(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])(C[5]C[5]HH)(C[6]C[6]O){5|C<3>,5|H<1>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]HH)(H)2{1|O<1>,5|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,4|C<3>,5|H<1>}	108.9650	0.000	1	108.9650	0.000	1	108.9650	0.000	1	108.9650	0.000	1	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:3:4:3:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[5]-4:C[6]-3:	C[5,6]-4:C[5]-4:C-3: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]C[5]CH)(C[6]C[6]O)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]HH)(CCH)(H)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(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])(C[5]C[5]CH)(C[6]C[6]O){5|C<3>,5|H<1>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]HH)(CCH)(H){1|O<1>,5|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	109.8780	0.000	1	109.8780	0.000	1	109.8780	0.000	1	111.7785	7.224	2	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:3:4:3:	4:4:3:1:	4:3:3:	C[6,6a]-3:N[5,6]-3:C[5]-4:C[6a]-3:	C[5,6]-4:C[5,6]-4:C-3: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[5,6]C[6])(C[5]C[5,6]CH)(C[6a]C[6a]2)	C[5](C[5,6]C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]C[6]H)(COO)(H)	C[6,6a](C[5,6]N[5,6]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,6]CH)(C[6a]C[6a]2){2|C<4>,5|C<3>,7|H<1>}	C[5](C[5,6]C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]C[6]H)(COO)(H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[5,6]N[5,6]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|C<4>,4|C<3>,5|H<1>}	113.6790	0.000	1	113.6790	0.000	1	113.6790	0.000	1	111.7785	7.224	2	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:3:4:4:	4:2:1:1:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6]-4:C[5]-4:	C[5,6]-4:O[5]-2: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[6]C[6,6a]HH)(C[5]O[5]HH)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(O[5]C[5,6a])(H)2	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(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[6]C[6,6a]HH)(C[5]O[5]HH){2|H<1>,6|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(O[5]C[5,6a])(H)2{2|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|O<2>,5|C<3>,6|H<1>}	110.7280	0.085	2	110.7280	0.007	2	110.7280	0.007	2	110.7280	0.007	2	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:3:4:4:	4:3:1:1:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[5]-4:C[6]-4:	C[5,6]-4:N[5]-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]N[5]HH)(C[6]C[6]HH)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]C)(H)2	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(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])(C[5]N[5]HH)(C[6]C[6]HH){1|C<4>,4|H<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]C)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,7|H<1>}	110.4800	0.000	1	110.5750	0.018	2	110.5750	0.018	2	110.5750	0.018	2	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:3:4:4:	4:3:1:1:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[5]-4:C[6]-4:	C[5,6]-4:N[5]-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]N[5]HH)(C[6]C[6]HH)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]C)(H)2	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(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])(C[5]N[5]HH)(C[6]C[6]HH){1|C<4>,4|H<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]C)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,8|H<1>}	110.6700	0.000	1	110.5750	0.018	2	110.5750	0.018	2	110.5750	0.018	2	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[5]-4:C[6]-4:	C[5,6]-4:C[5]-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]C[5]HH)(C[6]C[6]HH)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[6a]H)(H)2	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]O[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]C[5]HH)(C[6]C[6]HH){1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[6a]H)(H)2{2|H<1>,7|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,6|H<1>}	111.4630	0.000	1	111.4630	0.000	1	111.4630	0.000	1	112.0690	2.378	5	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[6,6a]-3:N[5,6]-3:C[5]-4:C-4:	C[5,6]-4:C[5]-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])(N[5,6]C[5]C[6])(C[5]C[5]HH)(CH3)	C[5](C[5,6]C[6,6a]N[5,6]C)(C[5]C[5]HH)(H)2	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[5](C[5,6]C[6,6a]N[5,6]C)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<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>}	113.1175	0.228	2	113.0863	0.029	3	113.0863	0.029	3	112.0690	2.378	5	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[6,6a]-3:N[5,6]-3:C[5]-4:C-4:	C[5,6]-4:C[5]-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])(N[5,6]C[5]C[6])(C[5]C[5]HH)(CH3)	C[5](C[5,6]C[6,6a]N[5,6]C)(C[5]C[5]HH)(H)2	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[5](C[5,6]C[6,6a]N[5,6]C)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<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>}	113.0240	0.000	1	113.0863	0.029	3	113.0863	0.029	3	112.0690	2.378	5	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[6,6a]-3:N[5]-3:C[6]-4:C[5]-4:	C[5,6]-4:C[5]-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])(N[5]C[6a]C[5])(C[6]C[5,6]HH)(C[5]C[5]HH)	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5]C[5]HH)(H)2	C[6,6a](C[5,6]C[5]C[6]N[5])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5]C[6a]C[5])(C[6]C[5,6]HH)(C[5]C[5]HH){1|N<3>,2|C<4>,4|C<3>,5|H<1>}	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5]C[5]HH)(H)2{1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5]C[6]N[5])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|Br<1>,2|C<3>,4|C<4>,5|H<1>}	109.6230	0.000	1	109.6230	0.000	1	109.6230	0.000	1	112.0690	2.378	5	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:2:3:	4:3:1:1:	4:3:3:	C[6,6a]-3:C[5]-4:O[5]-2:C[6]-3:	C[5,6]-4:C[5,6a]-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]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]O)	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(H)2	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]O){1|C<4>,1|H<1>,5|C<3>}	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,1|O<1>,5|C<3>}	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,4|C<3>,5|H<1>}	112.7540	0.000	1	112.7540	0.000	1	112.7540	0.000	1	112.7540	0.000	1	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:3:1:	4:3:3:1:	4:3:3:	C[6,6a]-3:C[5]-4:N[5,6]-3:H-1:	C[5,6]-4:C[6a]-3:C[5]-3: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[6]N[5])(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(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[6]N[5])(H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[6a]C[6a]2)(C[5]N[5]O)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	116.6640	0.173	2	116.6640	0.030	2	116.6640	0.030	2	116.6640	0.030	2	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:3:1:	4:3:4:1:	4:3:3:	C[6,6a]-3:C[5]-4:N[5,6]-3:H-1:	C[5,6]-4:C[6a]-3:C[5]-4: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[6]N[5])(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(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[6]N[5])(H){2|C<4>,4|H<1>,5|C<3>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	114.1430	0.000	1	114.1430	0.000	1	114.1430	0.000	1	114.1430	0.000	1	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:3:1:	4:4:3:1:	4:3:3:	C[6,6a]-3:C[5]-4:N[5,6]-3:H-1:	C[5,6]-4:C[5,5]-4:C[6a]-3: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[5,5]C[6a]H)(N[5,6]C[5,5]C[6])(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,5]C[6a]H)(N[5,6]C[5,5]C[6])(H){2|C<4>,3|H<1>,7|C<3>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,7|C<3>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,5|H<1>}	117.8280	0.000	1	117.8280	0.000	1	117.8280	0.000	1	117.8280	0.000	1	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:3:2:	4:2:4:3:	4:3:3:	C[6,6a]-3:C[5]-4:C[6]-3:O[5]-2:	C[5,6]-4:N[5]-2:C-4:C-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]N[5]CC)(C[6]N[6]O)(O[5]C[5])	C[5](C[5,6]C[6,6a]C[6]O[5])(N[5]C[5])(CCHH)(COO)	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]N[5]CC)(C[6]N[6]O)(O[5]C[5]){1|H<1>,2|C<4>,3|C<3>}	C[5](C[5,6]C[6,6a]C[6]O[5])(N[5]C[5])(CCHH)(COO){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,2|O<1>,3|C<3>}	113.7860	0.000	1	113.7860	0.000	1	114.9007	1.719	6	114.9007	1.719	6	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:3:2:	4:2:4:3:	4:3:3:	C[6,6a]-3:C[5]-4:C[6]-3:O[5]-2:	C[5,6]-4:N[5]-2:C-4:C-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]N[5]CC)(C[6]N[6]O)(O[5]C[5])	C[5](C[5,6]C[6,6a]C[6]O[5])(N[5]C[5])(CH3)(COO)	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]N[5]CC)(C[6]N[6]O)(O[5]C[5]){1|H<1>,2|C<4>,3|C<3>}	C[5](C[5,6]C[6,6a]C[6]O[5])(N[5]C[5])(CH3)(COO){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,2|O<1>,3|C<3>}	115.1236	1.333	5	115.1236	1.776	5	114.9007	1.719	6	114.9007	1.719	6	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:3:2:	4:3:4:1:	4:3:3:	C[6,6a]-3:C[5]-4:N[5,6]-3:C-2:	C[5,6]-4:C[6a]-3:C[5]-4: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]C[6])(CN)	C[5](C[5,6]C[6,6a]N[5,6]C)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	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]C[6])(CN){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[5](C[5,6]C[6,6a]N[5,6]C)(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|O<1>,2|H<1>,5|C<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|C<4>,4|C<3>,4|H<1>}	116.2290	0.000	1	116.2290	0.000	1	116.2290	0.000	1	116.2290	0.000	1	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:3:2:	4:4:1:1:	4:3:3:	C[6,6a]-3:C[5]-4:C[6]-3:O[5]-2:	C[5,6]-4:C[5]-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]C[5]HH)(C[6]C[6]O)(O[5]C[5])	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]HH)(H)2	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]O)(O[5]C[5]){1|Br<1>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]HH)(H)2{2|O<1>,3|C<3>}	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	112.1273	0.527	8	112.1273	0.277	8	112.1537	0.249	9	112.1537	0.249	9	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:3:2:	4:4:1:1:	4:3:3:	C[6,6a]-3:C[5]-4:C[6]-3:O[5]-2:	C[5,6]-4:C[5]-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]C[5]HH)(C[6]C[6]O)(O[5]C[5])	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]HO)(H)2	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]O)(O[5]C[5]){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]HO)(H)2{1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>,3|O<2>}	112.3650	0.000	1	112.3650	0.000	1	112.1537	0.249	9	112.1537	0.249	9	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:3:2:	4:4:2:3:	4:3:3:	C[6,6a]-3:C[5]-4:C[6]-3:O[5]-2:	C[5,6]-4:C-4:N[5]-2:C-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]N[5]CC)(C[6]N[6]O)(O[5]C[5])	C[5](C[5,6]C[6,6a]C[6]O[5])(CC[6a]HH)(N[5]C[5])(COO)	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]N[5]CC)(C[6]N[6]O)(O[5]C[5]){1|H<1>,2|C<4>,3|C<3>}	C[5](C[5,6]C[6,6a]C[6]O[5])(CC[6a]HH)(N[5]C[5])(COO){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,2|O<1>,3|C<3>}	113.3460	0.000	1	113.3460	0.000	1	113.3460	0.000	1	113.3460	0.000	1	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:3:3:	4:3:3:1:	3:4:3:	C[6,6a]-3:C[5]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C-3: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]C[5,6a]CH)(C[5]C[5,6a]C)(C[6]C[6]O)	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(COO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5]2C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]CH)(C[5]C[5,6a]C)(C[6]C[6]O){2|H<1>,5|C<3>}	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(COO)(H){1|H<1>,1|O<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5]2C[6])(C[6a]C[6a]H){1|O<1>,4|H<1>,6|C<3>}	114.0480	0.478	2	114.0480	0.228	2	114.0480	0.228	2	114.0480	0.228	2	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:3:3:	4:3:3:1:	4:3:3:	C[6,6a]-3:C[5]-4:N[5]-3:C[6]-3:	C[5,6]-4:C[5]-3:C[6a]-3: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]C[6a]N[5])(C[6]C[5,6]O)	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6,6a](C[5,6]C[5]C[6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[6]C[5,6]O){1|H<1>,1|N<3>,2|C<4>,7|C<3>}	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|H<1>,7|C<3>}	C[6,6a](C[5,6]C[5]C[6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,4|C<3>,5|H<1>}	112.4530	0.000	1	112.4530	0.000	1	112.4530	0.000	1	112.4530	0.000	1	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:3:3:	4:3:3:4:	4:3:3:	C[6,6a]-3:C[5]-4:C[6]-3:N[5]-3:	C[5,6]-4:C[6a]-3:N[5]-3:C-4:	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)(C[6]C[6]H)(N[5]C[5]C)	C[5](C[5,6]C[6,6a]C[6]N[5])(C[6a]C[6a]2)(N[5]C[5]C)(CH3)	C[6,6a](C[5,6]C[5]C[6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]N[5]C)(C[6]C[6]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	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[6,6a](C[5,6]C[5]C[6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	112.2820	0.270	2	112.2820	0.073	2	112.2820	0.073	2	112.2820	0.073	2	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:3:3:	4:3:4:1:	3:4:3:	C[6,6a]-3:C[5]-4:C[6]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:C-4: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]C[5,6a]CH)(C[6]C[6,6a]O)(N[5]C[5,6a]H)	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(CH3)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]CH)(C[6]C[6,6a]O)(N[5]C[5,6a]H){1|H<1>,6|C<3>}	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[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	108.4330	0.908	4	108.4330	0.824	4	108.4330	0.824	4	108.4330	0.824	4	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:3:3:	4:4:1:1:	4:3:3:	C[6,6a]-3:C[5]-4:C[6]-3:N[5]-3:	C[5,6]-4:C[5]-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]C[5]HH)(C[6]C[6]O)(N[5]C[5]H)	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5]C[5]HH)(H)2	C[6,6a](C[5,6]C[5]C[6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]O)(N[5]C[5]H){1|C<4>,3|C<3>,5|H<1>}	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[5,6]C[5]C[6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	109.5440	0.000	1	109.5440	0.000	1	109.5440	0.000	1	109.5440	0.000	1	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:3:4:	4:3:2:3:	4:3:3:	C[6,6a]-3:C[5]-4:N[5,6]-3:C-4:	C[5,6]-4:C[6a]-3:N[5]-2:C-3:	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[5](C[5,6]C[6,6a]N[5,6]C)(C[6a]C[6a]2)(N[5]C[5])(COO)	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[5](C[5,6]C[6,6a]N[5,6]C)(C[6a]C[6a]2)(N[5]C[5])(COO){3|H<1>,5|C<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>}	118.2315	0.224	2	118.2315	0.050	2	118.2315	0.050	2	118.2315	0.050	2	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:3:4:	4:3:3:1:	4:3:3:	C[6,6a]-3:C[5]-4:N[5,6]-3:C-4:	C[5,6]-4:C[6a]-3:C[5]-3: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[5](C[5,6]C[6,6a]N[5,6]C)(C[6a]C[6a]2)(C[5]C[5]H)(H)	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[5](C[5,6]C[6,6a]N[5,6]C)(C[6a]C[6a]2)(C[5]C[5]H)(H){1|N<2>,2|H<1>,5|C<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>}	117.1100	0.000	1	117.1100	0.000	1	117.1100	0.000	1	117.1100	0.000	1	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:3:4:	4:3:4:1:	4:3:3:	C[6,6a]-3:C[5]-4:N[5,6]-3:C-4:	C[5,6]-4:C[6a]-3:C[5]-4: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]S[6])(CF3)	C[5](C[5,6]C[6,6a]N[5,6]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	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[5](C[5,6]C[6,6a]N[5,6]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,1|S<4>,2|H<1>,4|C<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>}	117.3440	0.000	1	117.3440	0.000	1	117.3440	0.000	1	117.3440	0.000	1	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:4:1:	4:2:1:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:O[5]-2: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]C[5]H)(C[5]O[5]HH)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5])(H)2	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]O[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]O[5]HH)(H){1|C<3>,1|C<4>,2|O<1>,3|O<2>}	C[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]O[6a]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	112.8530	0.000	1	112.8530	0.000	1	110.9775	1.659	4	110.9775	1.659	4	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:4:1:	4:2:1:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:O[5]-2: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]O[5]HH)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5,6])(H)2	C[6,6a](C[5,6]C[5,6]C[5]H)(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[5,6]HH)(C[5]O[5]HH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5,6])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,2|O<2>,4|H<1>}	110.6900	0.000	1	110.3523	0.144	3	110.9775	1.659	4	110.9775	1.659	4	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:4:1:	4:2:1:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:O[5]-2: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]O[5]HH)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5,6])(H)2	C[6,6a](C[5,6]C[5,6]C[5]H)(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[5,6]HH)(C[5]O[5]HH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5,6])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	110.4250	0.000	1	110.3523	0.144	3	110.9775	1.659	4	110.9775	1.659	4	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:4:1:	4:2:1:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:O[5]-2: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]O[5]HH)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5,6])(H)2	C[6,6a](C[5,6]C[5,6]C[5]H)(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[5,6]HH)(C[5]O[5]HH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5,6])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	109.9420	0.000	1	110.3523	0.144	3	110.9775	1.659	4	110.9775	1.659	4	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:4:1:	4:2:3:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:O[5]-2:C-3: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]O[5]CH)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5,6])(CC[6a]O)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(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[5,6]HH)(C[5]O[5]CH)(H){1|H<1>,1|O<2>,3|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5,6])(CC[6a]O)(H){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	110.2680	0.000	1	110.2680	0.000	1	113.8826	4.816	5	113.8826	4.816	5	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:4:1:	4:2:3:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:O[5]-2:C-3: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]O[5]CH)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5])(CCO)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]O[5]CH)(H){1|Br<1>,1|O<1>,2|C<4>,3|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5])(CCO)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]Br){1|O<2>,3|C<3>,3|H<1>,4|C<4>}	115.6060	0.426	2	115.6060	0.181	2	113.8826	4.816	5	113.8826	4.816	5	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:4:1:	4:2:3:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:O[5]-2:C-3: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]O[5]CH)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5])(CCO)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(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]O[5]CH)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5])(CCO)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>,4|C<4>}	113.9665	0.254	2	113.9665	0.064	2	113.8826	4.816	5	113.8826	4.816	5	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:4:1:	4:3:1:1:	3:4:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:N[5]-3: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]C[6]H)(C[5]N[5]HH)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]S)(H)2	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[5,6]C[5,6]C[5]H)(C[6a]N[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[5,6]C[5,6]C[5]H)(C[6a]N[6a]O){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	112.8165	0.192	2	112.8165	0.037	2	112.8165	0.037	2	112.8165	0.037	2	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:4:1:	4:3:1:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6a]-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[5,6a]C[6]H)(C[5]C[5,6a]HH)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)2	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(H){1|O<2>,2|H<1>,5|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)2{1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	115.4340	0.000	1	115.4340	0.000	1	115.4340	0.000	1	118.4668	19.256	4	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:4:1:	4:3:1:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-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[5]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5])(H)2	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|N<3>,3|C<3>,4|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5])(H)2{1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,4|C<3>,4|H<1>}	123.6020	0.000	1	123.6020	0.000	1	123.6020	0.000	1	118.4668	19.256	4	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:4:1:	4:3:1:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:N[5]-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[5]C[6]H)(C[5]N[5]HH)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]S)(H)2	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,1|S<4>,2|N<3>,3|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O){1|C<3>,1|N<3>,3|H<1>,4|C<4>}	114.2540	0.000	1	117.4155	19.990	2	117.4155	19.990	2	118.4668	19.256	4	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:4:1:	4:3:1:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:N[5]-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[5]C[6]H)(C[5]N[5]HH)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]S)(H)2	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H){1|O<1>,1|O<2>,1|S<4>,2|C<4>,2|H<1>,2|N<3>}	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O){1|C<3>,1|N<3>,3|H<1>,4|C<4>}	120.5770	0.000	1	117.4155	19.990	2	117.4155	19.990	2	118.4668	19.256	4	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:4:1:	4:3:2:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:Br-1:	C[5,6]-4:C[5,6a]-3:O-2: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)(C[5]C[5,6a]HO)(Br)	C[5](C[5,6]C[6,6a]C[5,6]Br)(C[5,6a]C[5,6a]C[6a])(OC)(H)	C[6,6a](C[5,6]C[5,6]C[5]Br)(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)(C[5]C[5,6a]HO)(Br){1|C<4>,1|H<1>,5|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]Br)(C[5,6a]C[5,6a]C[6a])(OC)(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]Br)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	115.9430	0.000	1	115.9430	0.000	1	115.9430	0.000	1	114.4713	1.812	3	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:4:1:	4:3:2:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:O[5]-2: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]O[5]H)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]H)(H){1|C<2>,2|H<1>,6|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5])(H){4|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C){1|C<2>,1|C<4>,1|O<2>,3|H<1>,4|C<3>}	113.7355	0.613	2	113.7355	0.376	2	113.7355	0.376	2	114.4713	1.812	3	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:4:1:	4:3:2:2:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:O[5]-2:O-2:	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]O[5]O)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5])(OH)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]O)(H){2|H<1>,7|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5])(OH){3|H<1>,7|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	122.1380	0.000	1	122.1380	0.000	1	122.1380	0.000	1	122.1380	0.000	1	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:4:1:	4:3:2:3:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:O[5]-2:C-3:	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[6a]O[5]C)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5])(COO)	C[6,6a](C[5,6]C[5,6]C[5]H)(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[6a]O[5]C)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5])(COO){3|H<1>,7|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	119.8380	0.000	1	119.8380	0.000	1	119.8380	0.000	1	119.8380	0.000	1	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:4:1:	4:3:3:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:C[5]-3: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]O[5]H)(C[5]C[6a]C[5]H)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(C[5]O[5]O)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(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]O[5]H)(C[5]C[6a]C[5]H)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(C[5]O[5]O)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	114.5390	0.000	2	115.1220	0.775	4	115.1220	0.775	4	114.7151	0.872	9	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:4:1:	4:3:3:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:C[5]-3: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]O[5]H)(C[5]C[6a]C[5]H)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(C[5]O[5]O)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(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]O[5]H)(C[5]C[6a]C[5]H)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(C[5]O[5]O)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|O<2>,3|C<3>,5|H<1>}	115.7050	0.983	2	115.1220	0.775	4	115.1220	0.775	4	114.7151	0.872	9	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:4:1:	4:3:3:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:N[5,5]-3:C-3: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[5,5]C[6]N)(C[5]N[5,5]CH)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5,5]C[5,6a]C[5,5])(CC[6a]O)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(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[5,5]C[6]N)(C[5]N[5,5]CH)(H){1|O<2>,1|S<2>,3|H<1>,4|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5,5]C[5,6a]C[5,5])(CC[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,1|S<2>,4|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	114.8420	0.014	3	114.8420	0.000	3	114.8045	0.006	4	114.7151	0.872	9	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:4:1:	4:3:3:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:N[5,5]-3:C-3: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[5,5]C[6]N)(C[5]N[5,5]CH)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5,5]C[5,6a]C[5,5])(COO)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(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[5,5]C[6]N)(C[5]N[5,5]CH)(H){1|O<2>,1|S<2>,3|H<1>,4|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5,5]C[5,6a]C[5,5])(COO)(H){1|C<4>,1|H<1>,1|N<3>,1|S<2>,4|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Cl<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	114.6920	0.000	1	114.6920	0.000	1	114.8045	0.006	4	114.7151	0.872	9	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:4:1:	4:3:3:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:N[5]-3:C-3: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]S[6]H)(C[5]N[5]CH)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]H)(COO)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(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]S[6]H)(C[5]N[5]CH)(H){1|O<2>,2|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]H)(COO)(H){1|S<4>,2|H<1>,3|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|S<4>,2|C<3>,4|H<1>}	112.7300	0.000	1	112.7300	0.000	1	112.7300	0.000	1	114.7151	0.872	9	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:4:1:	4:3:3:3:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:N[5]-3:C-3:C-3:	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]N[5]CC)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]H)(COO)2	C[6,6a](C[5,6]C[5,6]C[5]H)(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]N[5]CC)(H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]H)(COO)2{2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|N<3>,2|H<1>,4|C<3>}	118.8985	0.187	2	118.4963	0.503	3	117.2934	3.584	5	116.6563	5.302	6	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:4:1:	4:3:3:3:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:N[5]-3:C-3:C-3:	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]N[5]CC)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]H)(COO)2	C[6,6a](C[5,6]C[5,6]C[5]H)(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]N[5]CC)(H){1|O<2>,1|S<1>,3|C<3>,3|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]H)(COO)2{2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|N<3>,2|H<1>,4|C<3>}	117.6920	0.000	1	118.4963	0.503	3	117.2934	3.584	5	116.6563	5.302	6	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:4:1:	4:3:3:3:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:N[5]-3:C-3:C-3:	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]N)(C[5]N[5]CC)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]H)(COO)2	C[6,6a](C[5,6]C[5,6]C[5]H)(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]N)(C[5]N[5]CC)(H){1|O<2>,3|C<3>,5|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]H)(COO)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<4>,2|N<3>,3|C<3>}	114.3760	0.000	1	115.4890	2.478	2	117.2934	3.584	5	116.6563	5.302	6	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:4:1:	4:3:3:3:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:N[5]-3:C-3:C-3:	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]N)(C[5]N[5]CC)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]H)(COO)2	C[6,6a](C[5,6]C[5,6]C[5]H)(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]N)(C[5]N[5]CC)(H){1|O<2>,4|C<3>,4|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]H)(COO)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,2|N<3>,3|C<3>}	116.6020	0.000	1	115.4890	2.478	2	117.2934	3.584	5	116.6563	5.302	6	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:4:1:	4:3:3:3:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:N[5]-3:C[6a]-3:C-3:	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[6a]N[5]C)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5,6]C[6a])(C[6a]C[6a]2)(COO)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]Br)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]C[6a]N[5]C)(H){1|Br<1>,1|H<1>,1|N<3>,5|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5,6]C[6a])(C[6a]C[6a]2)(COO){1|N<3>,5|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]Br){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	113.4710	0.000	1	113.4710	0.000	1	113.4710	0.000	1	116.6563	5.302	6	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:4:1:	4:3:4:1:	3:4:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:N[5]-3:C-4: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]C[6]H)(C[5]N[5]CH)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]S)(CCHH)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[5,6]C[5,6]C[5]H)(C[6a]N[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]CH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]S)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[5,6]C[5,6]C[5]H)(C[6a]N[6a]O){1|N<3>,2|C<3>,2|H<1>,4|C<4>}	121.6505	0.175	2	121.6505	0.031	2	121.6505	0.031	2	121.6505	0.031	2	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:4:1:	4:3:4:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-3:C-4: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]O[5]H)(C[5]C[5]CH)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]O[5]O)(CH3)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(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]O[5]H)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]O[5]O)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	115.5935	1.098	2	115.5935	1.206	2	115.5935	1.206	2	117.6837	10.467	7	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:4:1:	4:3:4:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:N[5]-3:C-4: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]N[5]CH)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]S)(CCHH)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]N[6a]O[6])(C[6a]C[6a,6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]CH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]S)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]N[6a]O[6])(C[6a]C[6a,6a]O){1|N<3>,2|C<3>,2|H<1>,4|C<4>}	120.7010	0.000	1	120.7010	0.000	1	118.7357	16.143	4	117.6837	10.467	7	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:4:1:	4:3:4:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:N[5]-3:C-4: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]N[5]CH)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]S)(CCHH)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]CH)(H){1|O<1>,1|O<2>,1|S<4>,2|C<4>,2|H<1>,2|N<3>}	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]S)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O){1|C<3>,1|N<3>,2|H<1>,5|C<4>}	118.0807	4.652	3	118.0807	21.640	3	118.7357	16.143	4	117.6837	10.467	7	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:4:1:	4:3:4:1:	4:3:3:	C[6,6a]-3:N[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:C[5]-4: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]H)(C[5]C[6a]C[5]H)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(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]H)(C[5]C[6a]C[5]H)(H){2|C<4>,4|C<3>,6|H<1>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,6|H<1>}	117.6560	0.000	1	117.6560	0.000	1	117.6560	0.000	1	117.6837	10.467	7	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:4:1:	4:3:4:3:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:N[5]-3:C-4:C-3:	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]N[5]CC)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]H)(CH3)(COO)	C[6,6a](C[5,6]C[5,6]C[5]H)(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]N[5]CC)(H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]H)(CH3)(COO){2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|C<4>,2|H<1>,3|C<3>}	117.8130	0.000	1	117.8130	0.000	1	117.8130	0.000	1	117.8130	0.000	1	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:4:1:	4:4:1:1:	3:4:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-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]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[5,6]C[5,6]C[5]H)(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)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H){3|C<3>,3|C<4>,5|H<1>}	121.1490	0.000	1	117.1845	31.435	2	117.3955	15.123	4	117.3955	15.123	4	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:4:1:	4:4:1:1:	3:4:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-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]C[6]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[5,6]C[5,6]C[5]H)(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)(H){1|C<4>,2|C<3>,7|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H){2|C<3>,4|C<4>,5|H<1>}	113.2200	0.000	1	117.1845	31.435	2	117.3955	15.123	4	117.3955	15.123	4	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:4:1:	4:4:1:1:	3:4:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-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]C[6]H)(C[5]C[5]HH)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(H)2	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[5,6]C[5,6]C[5]H)(C[6a]O[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){2|C<3>,2|O<1>,2|O<2>,3|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[5,6]C[5,6]C[5]H)(C[6a]O[6a]O){2|C<4>,3|C<3>,3|H<1>}	114.9840	0.000	1	114.9840	0.000	1	117.3955	15.123	4	117.3955	15.123	4	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:4:1:	4:4:1:1:	3:4:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-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[6,6a]C[5]O)(C[5]C[5]HH)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]C[5]O)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	120.2290	0.000	1	120.2290	0.000	1	117.3955	15.123	4	117.3955	15.123	4	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:4:1:	4:4:1:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:Br-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]BrH)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5,6]BrH)(Br)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]HH)(C[5]C[5]BrH)(H){1|Br<1>,1|S<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5,6]BrH)(Br)(H){1|S<4>,2|C<3>,2|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|O<1>,5|H<1>}	109.2350	0.000	1	109.2350	0.000	1	109.2350	0.000	1	111.5250	5.747	4	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:4:1:	4:4:1:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-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]C[5]H)(C[5]C[5]HH)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(H)2	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]O[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,2|H<1>,2|O<1>,3|O<2>}	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]O[6a]O){2|C<3>,2|C<4>,4|H<1>}	113.4600	0.000	1	113.4600	0.000	1	112.2883	5.124	3	111.5250	5.747	4	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:4:1:	4:4:1:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-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[6]N[5]C)(C[5]C[5]HH)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5]HH)(H)2	C[6,6a](C[5,6]C[5,6]C[5]H)(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[6]N[5]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,6|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,3|C<4>,3|H<1>}	113.7260	0.000	1	113.7260	0.000	1	112.2883	5.124	3	111.5250	5.747	4	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:4:1:	4:4:1:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-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]N[5,6]HH)(C[5]C[5]HH)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5,6]CH)(H)2	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]HH)(C[5]C[5]HH)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5,6]CH)(H)2{1|S<4>,2|C<3>,2|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|O<1>,6|H<1>}	109.6790	0.000	1	109.6790	0.000	1	112.2883	5.124	3	111.5250	5.747	4	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:4:1:	4:4:2:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2: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]C[5]H)(C[5]C[5]HO)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(OH)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]O[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HO)(H){1|C<3>,1|C<4>,2|H<1>,2|O<1>,3|O<2>}	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(OH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]O[6a]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	115.7250	0.000	1	115.7250	0.000	1	115.7250	0.000	1	115.7250	0.000	1	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:4:1:	4:4:3:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-3: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]CH)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5]H)(CCO)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5]H)(CCO)(H){2|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<4>,4|C<3>,4|H<1>}	114.9630	0.068	2	114.9630	0.005	2	116.5300	7.369	3	115.2973	5.554	7	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:4:1:	4:4:3:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-3: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]CH)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]CH)(COO)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]CH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]CH)(COO)(H){3|C<3>,3|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	119.6640	0.000	1	119.6640	0.000	1	116.5300	7.369	3	115.2973	5.554	7	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:4:1:	4:4:3:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:N-3: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]HN)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]CH)(NHH)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HN)(H){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]CH)(NHH)(H){2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	114.5637	2.255	3	114.5637	5.085	3	114.3727	3.536	4	115.2973	5.554	7	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:4:1:	4:4:3:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:N-3: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]HN)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(NOO)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(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]HN)(H){1|C<4>,3|C<3>,5|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(NOO)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	113.8000	0.000	1	113.8000	0.000	1	114.3727	3.536	4	115.2973	5.554	7	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:4:1:	4:4:4:1:	3:4:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4: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]O[6]H)(C[5]C[5]CH)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(CCHO)(H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]H)(C[5]C[5]CH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(CCHO)(H){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]O){1|C<3>,3|C<4>,3|O<2>,4|H<1>}	115.6085	0.141	2	115.6085	0.020	2	115.6085	0.020	2	115.6085	0.020	2	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:4:1:	4:4:4:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4: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]CH)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(CCCH)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H){1|O<2>,4|C<3>,5|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(CCCH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,6|C<4>}	113.8260	0.000	1	113.8260	0.000	1	113.8260	0.000	1	113.8260	0.000	1	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:4:2:	4:3:1:1:	4:3:3:	C[6,6a]-3:C[5]-4:C[6]-4:S[5]-2:	C[5,6]-4:N[5]-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]N[5]HH)(C[6]C[6]CH)(S[5]C[5])	C[5](C[5,6]C[6,6a]C[6]S[5])(N[5]C[5]S)(H)2	C[6,6a](C[5,6]C[5]C[6]S[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]N[5]HH)(C[6]C[6]CH)(S[5]C[5]){1|C<4>,1|N<2>,1|S<4>,2|C<3>,3|H<1>}	C[5](C[5,6]C[6,6a]C[6]S[5])(N[5]C[5]S)(H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6,6a](C[5,6]C[5]C[6]S[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,7|H<1>}	108.4830	0.000	1	108.4830	0.000	1	108.4830	0.000	1	108.4830	0.000	1	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:4:2:	4:3:3:4:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6a]-3:C[5]-3:C-4:	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]C)(OH)	C[5](C[5,6]C[6,6a]C[5,6]O)(C[6a]C[6a]2)(C[5]C[5]C)(CH3)	C[6,6a](C[5,6]C[5,6]C[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]C)(OH){1|C<4>,5|C<3>,5|H<1>}	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[6,6a](C[5,6]C[5,6]C[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|C<3>,3|C<4>,5|H<1>}	117.0230	0.000	1	117.0230	0.000	1	117.0230	0.000	1	117.0230	0.000	1	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:4:2:	4:3:4:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6a]-3:C[5]-4: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[6a]C[5]H)(OC)	C[5](C[5,6]C[6,6a]C[5,6]O)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6,6a](C[5,6]C[5,6]C[5]O)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]C[5]H)(OC){1|C<2>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]O)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]O)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){3|C<3>,3|H<1>,4|C<4>}	120.7660	0.000	1	120.7660	0.000	1	120.7660	0.000	1	120.7660	0.000	1	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:4:2:	4:4:1:1:	3:4:2:	C[6,6a]-3:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:O[6a]-2:	C[5,6](C[6,6a]C[6,6a]O[6a])(C[5]C[5]HH)(C[6]C[6]HO)(O[5]C[5])	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]HO)(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[5,6]C[5]C[6]O[5])(O[6a]C[6a])	C[5,6](C[6,6a]C[6,6a]O[6a])(C[5]C[5]HH)(C[6]C[6]HO)(O[5]C[5]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[5,6]C[5]C[6]O[5])(O[6a]C[6a]){1|O<1>,2|O<2>,3|C<3>,3|C<4>,3|H<1>}	113.2920	0.000	1	113.2920	0.000	1	113.2920	0.000	1	113.2920	0.000	1	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:4:2:	4:4:1:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[5]-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]C)(C[5]C[5]HH)(OH)	C[5](C[5,6]C[6,6a]C[5,6]O)(C[5]C[5]HH)(H)2	C[6,6a](C[5,6]C[5,6]C[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|O<1>,3|C<3>,5|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]O)(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|C<4>}	C[6,6a](C[5,6]C[5,6]C[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|C<3>,3|H<1>,4|C<4>}	112.6540	0.000	1	112.6540	0.000	1	112.6670	0.000	2	114.1746	3.131	10	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:4:2:	4:4:1:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[5]-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]N[5]O[6]H)(C[5]C[5]HH)(OC)	C[5](C[5,6]C[6,6a]C[5,6]O)(C[5]N[5]CH)(H)2	C[6,6a](C[5,6]C[5,6]C[5]O)(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]N[5]O[6]H)(C[5]C[5]HH)(OC){1|N<3>,2|H<1>,4|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]O)(C[5]N[5]CH)(H)2{1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]O)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,5|H<1>}	112.6800	0.000	1	112.6800	0.000	1	112.6670	0.000	2	114.1746	3.131	10	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:4:2:	4:4:1:1:	4:3:3:	C[6,6a]-3:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[5,5]-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]C[5,5]HH)(C[6]O[6]HH)(O[5]C[5,5])	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5,5]C[5,5]C[5]H)(H)2	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,5]HH)(C[6]O[6]HH)(O[5]C[5,5]){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5,5]C[5,5]C[5]H)(H)2{1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,1|O<2>,2|C<4>,8|H<1>}	115.4960	0.000	1	115.6730	0.063	2	115.6730	0.063	2	114.1746	3.131	10	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:4:2:	4:4:1:1:	4:3:3:	C[6,6a]-3:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[5,5]-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]C[5,5]HH)(C[6]O[6]HH)(O[5]C[5,5])	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5,5]C[5,5]C[5]H)(H)2	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,5]HH)(C[6]O[6]HH)(O[5]C[5,5]){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5,5]C[5,5]C[5]H)(H)2{1|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,1|O<2>,2|C<4>,8|H<1>}	115.8500	0.000	1	115.6730	0.063	2	115.6730	0.063	2	114.1746	3.131	10	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:4:2:	4:4:1:1:	4:3:3:	C[6,6a]-3:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[5,6]-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]C[5,6]HH)(C[6]O[6]HH)(O[5]C[5,6])	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5,6]C[5,6]C[6]C)(H)2	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]HH)(C[6]O[6]HH)(O[5]C[5,6]){1|O<2>,3|C<3>,4|C<4>}	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5,6]C[5,6]C[6]C)(H)2{1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,1|O<2>,2|C<4>,8|H<1>}	114.9900	1.949	2	114.9900	3.798	2	114.5447	2.494	3	114.1746	3.131	10	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:4:2:	4:4:1:1:	4:3:3:	C[6,6a]-3:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[5,6]-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]C[5,6]HH)(C[6]O[6]HH)(O[5]C[5,6])	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5,6]C[5,6]C[6]H)(H)2	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]HH)(C[6]O[6]HH)(O[5]C[5,6]){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5,6]C[5,6]C[6]H)(H)2{1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,1|O<2>,2|C<4>,8|H<1>}	113.6540	0.000	1	113.6540	0.000	1	114.5447	2.494	3	114.1746	3.131	10	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:4:2:	4:4:1:1:	4:3:3:	C[6,6a]-3:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[5]-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]C[5]HH)(C[6]C[6]HO)(O[5]C[5])	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]HH)(H)2	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HO)(O[5]C[5]){1|Br<1>,1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|O<2>,6|H<1>}	116.7650	0.000	1	116.7650	0.000	1	116.7650	0.000	1	114.1746	3.131	10	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:4:2:	4:4:1:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[5]-4:O[5]-2:	C[5,6]-4:C[5]-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[6]C[6]BrH)(C[5]C[5]HH)(O[5]C[5])	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]HH)(H)2	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(C[5]C[5]HH)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]HH)(H)2{1|Br<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|C<4>,7|H<1>}	112.0220	0.000	1	112.0220	0.000	1	112.3335	0.194	2	114.1746	3.131	10	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:4:2:	4:4:1:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[5]-4:O[5]-2:	C[5,6]-4:C[5]-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[6]C[6]ClH)(C[5]C[5]HH)(O[5]C[5])	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]HH)(H)2	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(C[5]C[5]HH)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]HH)(H)2{1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Cl<1>,2|C<3>,2|C<4>,7|H<1>}	112.6450	0.000	1	112.6450	0.000	1	112.3335	0.194	2	114.1746	3.131	10	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:4:2:	4:4:3:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[5]-4:C-3: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]HO)(C[5]C[5]CH)(OH)	C[5](C[5,6]C[6,6a]C[5,6]O)(C[5]C[5,6]C[6a]H)(CN[5]O)(H)	C[6,6a](C[5,6]C[5,6]C[5]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HO)(C[5]C[5]CH)(OH){1|H<1>,2|O<2>,4|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]O)(C[5]C[5,6]C[6a]H)(CN[5]O)(H){1|H<1>,2|O<2>,5|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	110.7485	0.786	2	110.7485	0.617	2	110.7485	0.617	2	110.7485	0.617	2	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:4:3:	4:3:1:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[5,5a]-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[5,5a]N[6]H)(C[5]C[5,5a]HH)(COO)	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5,5a]C[5,5a]C[5a])(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[5,5a]N[6]H)(C[5]C[5,5a]HH)(COO){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5,5a]C[5,5a]C[5a])(H)2{1|N<3>,1|S<2>,2|H<1>,3|C<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|N<3>,1|O<1>,3|C<3>,5|H<1>}	110.6150	0.000	1	110.6150	0.000	1	110.6150	0.000	1	110.2790	0.226	2	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:4:3:	4:3:1:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:C[6a]-3:	C[5,6]-4:C[5,6a]-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[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6a]C[6a]2)	C[5](C[5,6]C[6,6a]C[5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(H)2	C[6,6a](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(H)2{1|N<3>,2|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,5|C<3>,5|H<1>}	109.9430	0.000	1	109.9430	0.000	1	109.9430	0.000	1	110.2790	0.226	2	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:4:3:	4:3:4:1:	3:4:3:	C[6,6a]-3:C[5]-4:C[6]-4:N[5]-3:	C[5,6]-4:C[5,6a]-3:C-4: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]C[5,6a]CH)(C[6]C[6,6a]CO)(N[5]C[5,6a]H)	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(CH3)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]CH)(C[6]C[6,6a]CO)(N[5]C[5,6a]H){1|H<1>,6|C<3>}	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[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,4|H<1>,5|C<3>}	106.2640	0.047	2	106.2640	0.002	2	106.2640	0.002	2	106.2640	0.002	2	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:4:3:	4:3:4:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[5,6a]-3:C-4: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]O[6]H)(C[5]C[5,6a]CH)(CHO)	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[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[5,6a]O[6]H)(C[5]C[5,6a]CH)(CHO){1|C<4>,1|H<1>,4|C<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){1|O<2>,2|H<1>,4|C<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<4>,2|O<2>,3|C<3>,5|H<1>}	118.1380	0.000	1	118.1380	0.000	1	118.1380	0.000	1	118.1380	0.000	1	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:4:3:	4:4:1:1:	3:4:3:	C[6,6a]-3:C[5]-4:C[5]-4:C[6]-3:	C[5,6]-4:C[5]-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]C[5]HH)2(C[6]N[6]N)	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5]2C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2(C[6]N[6]N){3|C<3>,5|H<1>}	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]HH)(H)2{1|N<2>,1|N<3>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5]2C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,2|N<2>,6|H<1>}	111.8305	0.494	2	111.5463	3.630	4	111.5463	3.630	4	112.6552	3.306	9	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:4:3:	4:4:1:1:	3:4:3:	C[6,6a]-3:C[5]-4:C[5]-4:C[6]-3:	C[5,6]-4:C[5]-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]C[5]HH)2(C[6]N[6]N)	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5]2C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2(C[6]N[6]N){3|C<3>,5|H<1>}	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]HH)(H)2{2|C<3>,2|N<2>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5]2C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,2|N<2>,6|H<1>}	111.2620	3.213	2	111.5463	3.630	4	111.5463	3.630	4	112.6552	3.306	9	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:4:3:	4:4:1:1:	3:4:3:	C[6,6a]-3:C[5]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[5]-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]C[5]HH)(C[6]C[6]CH)(C[5]N[5]H)	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]N[5]HH)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[5,6]C[5]2C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]CH)(C[5]N[5]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]N[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[5,6]C[5]2C[6])(C[6a]C[6a]H){1|N<2>,2|C<3>,3|C<4>,6|H<1>}	111.7800	0.000	1	111.7800	0.000	1	113.4230	2.138	4	112.6552	3.306	9	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:4:3:	4:4:1:1:	3:4:3:	C[6,6a]-3:C[5]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[5]-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]C[5]HH)(C[6]C[6]FH)(C[5]C[5]O)	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5]2C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]FH)(C[5]C[5]O){1|C<4>,2|C<3>,7|H<1>}	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<4>,1|F<1>,1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5]2C[6])(C[6a]C[6a]H){1|C<3>,1|F<1>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	113.5400	0.000	1	113.9707	1.407	3	113.4230	2.138	4	112.6552	3.306	9	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:4:3:	4:4:1:1:	3:4:3:	C[6,6a]-3:C[5]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[5]-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]C[5]HH)(C[6]C[6]FH)(C[5]C[5]O)	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5]2C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]FH)(C[5]C[5]O){1|C<4>,2|C<3>,7|H<1>}	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<4>,1|F<1>,1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5]2C[6])(C[6a]C[6a]H){1|C<3>,1|F<1>,1|O<1>,5|C<4>,5|H<1>}	115.3120	0.000	1	113.9707	1.407	3	113.4230	2.138	4	112.6552	3.306	9	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:4:3:	4:4:1:1:	3:4:3:	C[6,6a]-3:C[5]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[5]-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]C[5]HH)(C[6]C[6]FH)(C[5]C[5]O)	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5]2C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]FH)(C[5]C[5]O){1|C<4>,2|C<3>,7|H<1>}	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<4>,1|F<1>,1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5]2C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|F<1>,4|C<4>,5|H<1>}	113.0600	0.000	1	113.9707	1.407	3	113.4230	2.138	4	112.6552	3.306	9	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:4:3:	4:4:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[5]-4:C[5]-3:	C[5,6]-4:C[5]-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[6]C[6]BrH)(C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5]2C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(C[5]C[5]HH)(C[5]C[5]O){1|C<4>,2|C<3>,7|H<1>}	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]HH)(H)2{1|Br<1>,1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5]2C[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|O<1>,5|C<4>,5|H<1>}	114.0200	0.000	1	114.0200	0.000	1	114.0200	0.000	1	112.6552	3.306	9	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:4:3:	4:4:1:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[5]-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]O[6]O)(C[5]C[5]HH)(COO)	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5]C[5]HH)(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[5]O[6]O)(C[5]C[5]HH)(COO){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>,2|O<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<3>,2|C<4>,2|O<2>,6|H<1>}	111.9060	0.000	1	111.9060	0.000	1	111.9060	0.000	1	111.9660	0.007	2	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:4:3:	4:4:1:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:C[6a]-3:	C[5,6]-4:C[5,5]-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[5,5,6]HH)(C[5]C[5,5]HH)(C[6a]C[6a]2)	C[5](C[5,6]C[6,6a]C[5,6]C[6a])(C[5,5]C[5,5,6]C[5,6a]H)(H)2	C[6,6a](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]HH)(C[5]C[5,5]HH)(C[6a]C[6a]2){2|C<4>,4|H<1>,5|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]C[6a])(C[5,5]C[5,5,6]C[5,6a]H)(H)2{2|C<4>,2|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|C<4>,4|C<3>,7|H<1>}	112.0260	0.000	1	112.0260	0.000	1	112.0260	0.000	1	111.9660	0.007	2	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:4:4:	4:3:1:1:	3:4:3:	C[6,6a]-3:C[5]-4:C[5]-4:C[6]-4:	C[5,6]-4:C[5,6a]-3: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]C[5,6a]HH)2(C[6]C[6]HO)	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5]2C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]HH)2(C[6]C[6]HO){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(H)2{1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5]2C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,9|H<1>}	110.9280	2.868	2	110.9280	8.226	2	110.9280	8.226	2	110.9280	8.226	2	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:4:4:	4:3:4:1:	3:4:3:	C[6,6a]-3:N[5]-4:C[5]-4:C[6]-4:	C[5,6]-4:C[5,6a]-3:C-4:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5]C[5,6a]AlH)(C[5]C[5,6a]CH)(C[6]C[6,6a]CO)	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(CH3)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5]C[5,6a]AlH)(C[5]C[5,6a]CH)(C[6]C[6,6a]CO){1|H<1>,6|C<3>}	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[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(C[6a]C[6a]H){1|Al<5>,1|O<3>,2|C<4>,4|H<1>,5|C<3>}	106.9470	0.000	1	106.9470	0.000	1	106.9470	0.000	1	106.9470	0.000	1	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:4:4:	4:4:1:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[5]-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]C)(C[5]C[5]HH)(CH3)	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5]C[5]HH)(H)2	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[5](C[5,6]C[6,6a]C[5,6]C)(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,3|C<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>}	119.9890	0.000	1	119.9890	0.000	1	114.2735	65.334	2	114.4130	22.007	4	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:4:4:	4:4:1:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[5]-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[6]N[5]C)(C[5]C[5]HH)(CCHH)	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5]N[5]HH)(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[5](C[5,6]C[6,6a]C[5,6]C)(C[5]N[5]HH)(H)2{1|C<2>,1|C<4>,3|C<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<2>,1|C<3>,1|N<3>,2|C<4>,6|H<1>}	108.5580	0.000	1	108.5580	0.000	1	114.2735	65.334	2	114.4130	22.007	4	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:4:4:	4:4:1:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:S-4:	C[5,6]-4:C[5]-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[6]N[5]H)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5,6]C[6,6a]C[5,6]S)(C[5]N[5]HH)(H)2	C[6,6a](C[5,6]C[5,6]C[5]S)(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]H)(C[5]C[5]HH)(SC[6a]OO){1|C<4>,1|S<3>,2|C<3>,5|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]S)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|S<3>,2|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]S)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|F<1>,1|N<3>,2|C<4>,6|H<1>}	114.5525	0.781	2	114.5525	0.611	2	114.5525	0.611	2	114.4130	22.007	4	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	3:4:4:4:	4:4:3:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[5]-4:N[6]-3: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[5](C[5,6]C[6,6a]C[5,6]C)(C[5]C[5]ClH)(N[6]C[6]2)(H)	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[5](C[5,6]C[6,6a]C[5,6]C)(C[5]C[5]ClH)(N[6]C[6]2)(H){2|C<3>,3|C<4>,7|H<1>}	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>}	107.4750	0.000	1	107.4750	0.000	1	107.4750	0.000	1	107.4750	0.000	1	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	4:3:3:4:	4:4:1:1:	4:3:3:	C[5,5]-4:C[6,6a]-3:C[6,6a]-3:C[5]-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])2(C[5]C[5]HH)	C[5](C[5,6]C[6,6a]2C[5,5])(C[5]N[5]HH)(H)2	C[6,6a](C[5,6]C[6,6a]C[5,5]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])2(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,4|H<1>,7|C<3>}	C[5](C[5,6]C[6,6a]2C[5,5])(C[5]N[5]HH)(H)2{1|C<4>,6|C<3>}	C[6,6a](C[5,6]C[6,6a]C[5,5]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	112.9712	2.120	4	112.9712	4.494	4	112.9712	4.494	4	112.9712	4.494	4	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	4:3:4:1:	4:3:2:1:	3:4:3:	C[5,5,6]-4:C[6,6a]-3:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]O[5]H)(H)	C[5](C[5,6]C[5,5,6]C[6,6a]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[5,6]C[5,5,6]C[5]H)(C[6a]C[6a]H)	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]O[5]H)(H){2|C<4>,4|C<3>,5|H<1>}	C[5](C[5,6]C[5,5,6]C[6,6a]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[5,6]C[5,5,6]C[5]H)(C[6a]C[6a]H){2|C<3>,2|O<2>,3|H<1>,4|C<4>}	115.3450	0.000	1	115.3450	0.000	1	115.3450	0.000	1	115.3450	0.000	1	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	4:3:4:1:	4:3:3:1:	3:4:3:	C[5,6]-4:C[6,6a]-3:C[5]-4:H-1:	C[5,6]-4:N[5,5]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,6]C[5a,6]C[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]N[5,5]C[6a]H)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H)	C[5,6](C[5,6]C[5a,6]C[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]N[5,5]C[6a]H)(H){1|N<2>,1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|S<2>,5|C<3>,6|H<1>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	118.0550	0.520	2	118.0550	0.271	2	118.0550	0.271	2	118.0550	0.271	2	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	4:3:4:1:	4:3:3:1:	4:3:3:	C[3x5,6]-4:C[6,6a]-3:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]N[5]H)(H)	C[5](C[5,6]C[3x5,6]C[6,6a]H)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	C[6,6a](C[5,6]C[3x5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]N[5]H)(H){1|O<1>,2|H<1>,2|O<2>,8|C<3>}	C[5](C[5,6]C[3x5,6]C[6,6a]H)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){1|C<4>,1|H<1>,1|O<2>,7|C<3>}	C[6,6a](C[5,6]C[3x5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	113.2620	0.000	1	113.2620	0.000	1	113.2620	0.000	1	112.1325	2.552	2	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	4:3:4:1:	4:3:3:1:	4:3:3:	C[5,6]-4:C[6,6a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-3:C-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6]C[6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]CH)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]O[5]O)(COO)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[5,6]C[6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]CH)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]O[5]O)(COO)(H){1|C<4>,3|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<2>,2|H<1>,5|C<3>}	111.0030	0.000	1	111.0030	0.000	1	111.0030	0.000	1	112.1325	2.552	2	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	4:3:4:1:	4:4:1:1:	4:3:3:	C[5,6,6]-4:C[6,6a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6,6]C[6,6a]H)(C[5]N[5,6]HH)(H)2	C[6,6a](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(H){1|C<4>,3|C<3>,5|H<1>}	C[5](C[5,6]C[5,6,6]C[6,6a]H)(C[5]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,3|C<4>,5|H<1>}	114.8690	0.000	1	114.8690	0.000	1	114.8690	0.000	1	113.9620	1.645	2	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	4:3:4:1:	4:4:1:1:	4:3:3:	C[5,6]-4:C[6,6a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6]C[6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]O[5]HH)(H)2	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[5,6]C[6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(H){1|N<3>,4|H<1>,5|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]O[5]HH)(H)2{1|C<4>,3|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	113.0550	0.000	1	113.0550	0.000	1	113.0550	0.000	1	113.9620	1.645	2	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	4:3:4:1:	4:4:3:1:	4:3:3:	C[5,6,6]-4:C[6,6a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6,6]C[5,6]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]CH)(H)	C[5](C[5,6]C[5,6,6]C[6,6a]H)(C[5]C[5,6]HH)(CCH)(H)	C[6,6a](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6,6]C[5,6]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]CH)(H){1|C<4>,4|C<3>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6,6a]H)(C[5]C[5,6]HH)(CCH)(H){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	115.6865	1.057	2	115.6865	1.118	2	115.6865	1.118	2	115.6865	1.118	2	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	4:3:4:3:	4:4:1:1:	4:3:3:	C[5,6]-4:C[6,6a]-3:C[5]-4:C[5]-3:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5,6]C[6,6a]C[5,6]C[5])(C[5]N[5]HH)(H)2	C[6,6a](C[5,6]C[5,6]C[5]2)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|N<2>,1|N<3>,3|H<1>,4|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]C[5])(C[5]N[5]HH)(H)2{1|O<1>,2|C<4>,4|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]2)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	113.9060	0.000	1	111.1935	14.715	2	111.1935	14.715	2	111.1935	14.715	2	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	4:3:4:3:	4:4:1:1:	4:3:3:	C[5,6]-4:C[6,6a]-3:C[5]-4:C[5]-3:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5,6]C[6,6a]C[5,6]C[5])(C[5]N[5]HH)(H)2	C[6,6a](C[5,6]C[5,6]C[5]2)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,2|N<3>,4|C<3>,4|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]C[5])(C[5]N[5]HH)(H)2{1|O<1>,3|C<3>,3|C<4>}	C[6,6a](C[5,6]C[5,6]C[5]2)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,5|H<1>}	108.4810	0.000	1	111.1935	14.715	2	111.1935	14.715	2	111.1935	14.715	2	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	4:3:4:3:	4:4:2:1:	4:3:3:	C[5,5]-4:C[6,6a]-3:C[5]-4:C[6]-3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HO)(C[6]C[6]O)	C[5](C[5,6]C[6,6a]C[5,5]C[6])(C[5]C[5,5]HH)(OH)(H)	C[6,6a](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HO)(C[6]C[6]O){2|C<4>,4|C<3>,6|H<1>}	C[5](C[5,6]C[6,6a]C[5,5]C[6])(C[5]C[5,5]HH)(OH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	113.1225	0.012	2	113.1225	0.000	2	113.1225	0.000	2	113.1225	0.000	2	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	4:3:4:4:	4:2:1:1:	4:3:3:	C[5,6,6]-4:C[6,6a]-3:C[5]-4:Si-4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:N[6,6a]-3:C[6a]-3:	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6a]N[6,6a]C[6a])(C[5]O[5]HH)(SiC[6a]CC)	C[5](C[5,6]C[5,6,6]C[6,6a]Si)(O[5]C[5,6,6])(H)2	C[6,6a](C[5,6]C[5,6,6]C[5]Si)(N[6,6a]C[6,6]C[6a])(C[6a]C[6a,6a]H)	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6a]N[6,6a]C[6a])(C[5]O[5]HH)(SiC[6a]CC){2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6,6a]Si)(O[5]C[5,6,6])(H)2{1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[6,6a](C[5,6]C[5,6,6]C[5]Si)(N[6,6a]C[6,6]C[6a])(C[6a]C[6a,6a]H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	106.4500	0.000	1	106.4500	0.000	1	106.4500	0.000	1	106.4500	0.000	1	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6,6a]	4:3:4:4:	4:4:1:1:	4:3:3:	C[5,5,6]-4:C[6,6a]-3:C[5]-4:C-4:	C[5,6]-4:C[5]-4: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[5](C[5,6]C[5,5,6]C[6,6a]C)(C[5]C[5,5]HH)(H)2	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[5](C[5,6]C[5,5,6]C[6,6a]C)(C[5]C[5,5]HH)(H)2{2|C<4>,3|C<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>}	110.7670	0.000	1	110.7670	0.000	1	110.7670	0.000	1	110.7670	0.000	1	114.1024	11.572	246	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6a]	2:3:2:4:	4:3:3:1:	4:3:3:	O[5,6]-2:C[6a]-3:O[6]-2:C[5]-4:	C[5,6]-4:N[5]-3:C-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(O[6]C[6,6a])(C[5]N[5]CH)	C[5](C[5,6]O[5,6]C[6a]O[6])(N[5]C[5,6]C[6a])(COO)(H)	C[6a](C[5,6]O[5,6]C[5]O[6])(C[6a]C[6a]H)2	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(O[6]C[6,6a])(C[5]N[5]CH){3|H<1>,5|C<3>}	C[5](C[5,6]O[5,6]C[6a]O[6])(N[5]C[5,6]C[6a])(COO)(H){1|H<1>,6|C<3>}	C[6a](C[5,6]O[5,6]C[5]O[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	118.9550	0.000	1	118.9550	0.000	1	118.9550	0.000	1	118.9550	0.000	1	112.1898	5.790	50	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6a]	2:3:4:4:	4:4:1:1:	4:3:3:	O[5,6]-2:C[6a]-3:C[5]-4:C[6]-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]HH)	C[5](C[5,6]O[5,6]C[6a]C[6])(C[5]C[5,6]HO)(H)2	C[6a](C[5,6]O[5,6]C[5]C[6])(C[6a]C[6a]H)2	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]HH){1|Br<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]O[5,6]C[6a]C[6])(C[5]C[5,6]HO)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6]O[5,6]C[5]C[6])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,6|H<1>}	112.7860	1.112	2	112.7860	1.236	2	112.7860	1.236	2	112.7860	1.236	2	112.1898	5.790	50	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6a]	2:3:4:4:	4:4:3:1:	4:3:3:	O[5,6]-2:C[6a]-3:C[5]-4:C[6]-4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[5]C[5]CH)(C[6]C[6]HH)	C[5](C[5,6]O[5,6]C[6a]C[6])(C[5]C[5,6]CH)(CCH)(H)	C[6a](C[5,6]O[5,6]C[5]C[6])(C[6a]C[6a]H)2	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[5]C[5]CH)(C[6]C[6]HH){2|C<3>,2|C<4>,6|H<1>}	C[5](C[5,6]O[5,6]C[6a]C[6])(C[5]C[5,6]CH)(CCH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6]O[5,6]C[5]C[6])(C[6a]C[6a]H)2{2|C<3>,3|C<4>,5|H<1>}	115.2950	0.000	1	115.2950	0.000	1	115.2950	0.000	1	115.2950	0.000	1	112.1898	5.790	50	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6a]	3:3:3:4:	4:4:1:1:	4:3:3:	C[5a,6]-3:N[5,6]-3:C[6a]-3:C[5]-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5a,6]C[5a,6]C[5a])(N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](C[5,6]C[5a,6]N[5,6]C[6a])(C[5]C[5]HH)(H)2	C[6a](C[5,6]C[5a,6]N[5,6]C[5])(C[6a]C[6a]H)2	C[5,6](C[5a,6]C[5a,6]C[5a])(N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|O<1>,1|S<2>,3|C<3>,7|H<1>}	C[5](C[5,6]C[5a,6]N[5,6]C[6a])(C[5]C[5]HH)(H)2{2|H<1>,5|C<3>}	C[6a](C[5,6]C[5a,6]N[5,6]C[5])(C[6a]C[6a]H)2{2|C<4>,4|C<3>,4|H<1>}	111.2980	0.000	1	111.2980	0.000	1	111.2980	0.000	1	111.2980	0.000	1	112.1898	5.790	50	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6a]	3:3:4:2:	4:4:1:1:	4:3:3:	N[5,6]-3:C[6a]-3:C[5]-4:O[6]-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](N[5,6]C[5,6,6]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(O[6]C[6])	C[5](C[5,6]N[5,6]C[6a]O[6])(C[5]C[5]CH)(H)2	C[6a](C[5,6]N[5,6]C[5]O[6])(C[6a]C[6a]H)2	C[5,6](N[5,6]C[5,6,6]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(O[6]C[6]){1|O<1>,2|C<3>,3|C<4>,6|H<1>}	C[5](C[5,6]N[5,6]C[6a]O[6])(C[5]C[5]CH)(H)2{1|O<1>,2|C<3>,2|C<4>}	C[6a](C[5,6]N[5,6]C[5]O[6])(C[6a]C[6a]H)2{2|C<3>,3|C<4>,4|H<1>}	110.3125	0.302	2	110.3125	0.091	2	111.0065	0.719	4	111.0065	0.719	4	112.1898	5.790	50	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6a]	3:3:4:2:	4:4:1:1:	4:3:3:	N[5,6]-3:C[6a]-3:C[5]-4:O[6]-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(O[6]C[6])	C[5](C[5,6]N[5,6]C[6a]O[6])(C[5]C[5]CH)(H)2	C[6a](C[5,6]N[5,6]C[5]O[6])(C[6a]C[6a]H)2	C[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(O[6]C[6]){1|O<1>,2|C<3>,2|C<4>,7|H<1>}	C[5](C[5,6]N[5,6]C[6a]O[6])(C[5]C[5]CH)(H)2{1|O<1>,2|C<3>,2|C<4>}	C[6a](C[5,6]N[5,6]C[5]O[6])(C[6a]C[6a]H)2{2|C<3>,3|C<4>,4|H<1>}	111.9630	0.000	1	111.9630	0.000	1	111.0065	0.719	4	111.0065	0.719	4	112.1898	5.790	50	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6a]	3:3:4:2:	4:4:1:1:	4:3:3:	N[5,6]-3:C[6a]-3:C[5]-4:O[6]-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](N[5,6]C[6,6]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(O[6]C[6])	C[5](C[5,6]N[5,6]C[6a]O[6])(C[5]C[5]CH)(H)2	C[6a](C[5,6]N[5,6]C[5]O[6])(C[6a]C[6a]H)2	C[5,6](N[5,6]C[6,6]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(O[6]C[6]){1|O<1>,2|C<3>,3|C<4>,6|H<1>}	C[5](C[5,6]N[5,6]C[6a]O[6])(C[5]C[5]CH)(H)2{1|O<1>,2|C<3>,2|C<4>}	C[6a](C[5,6]N[5,6]C[5]O[6])(C[6a]C[6a]H)2{2|C<3>,3|C<4>,4|H<1>}	111.4380	0.000	1	111.4380	0.000	1	111.0065	0.719	4	111.0065	0.719	4	112.1898	5.790	50	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6a]	3:3:4:3:	4:3:2:1:	4:3:3:	C[5,6]-3:N[5,6]-3:C[5]-4:C[6a]-3:	C[5,6]-4:C[5,6a]-3:O-2:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5,6a]C[6])(N[5,6]C[5,6]C[5])(C[5]C[5,6a]HO)(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]N[5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(OH)(H)	C[6a](C[5,6]C[5,6]N[5,6]C[5])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5,6a]C[6])(N[5,6]C[5,6]C[5])(C[5]C[5,6a]HO)(C[6a]C[6a]2){1|O<1>,3|H<1>,7|C<3>}	C[5](C[5,6]C[5,6]N[5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(OH)(H){1|H<1>,7|C<3>}	C[6a](C[5,6]C[5,6]N[5,6]C[5])(C[6a]C[6a]H)2{1|O<2>,3|H<1>,6|C<3>}	112.4487	0.653	3	112.4487	0.426	3	112.4487	0.426	3	112.4487	0.426	3	112.1898	5.790	50	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6a]	3:3:4:3:	4:4:1:1:	4:3:3:	C[5,6]-3:C[6a]-3:C[5]-4:C[6]-3:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]C[6]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]O)	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]O[5]HH)(H)2	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[6]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]O){4|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]O[5]HH)(H)2{1|O<1>,4|C<3>}	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	110.1240	0.593	2	110.1240	0.351	2	110.1240	0.351	2	110.7147	1.222	3	112.1898	5.790	50	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6a]	3:3:4:3:	4:4:1:1:	4:3:3:	N[5,6]-3:C[6a]-3:C[5]-4:N[6]-3:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(N[6]C[6]H)	C[5](C[5,6]N[5,6]C[6a]N[6])(C[5]C[5]HH)(H)2	C[6a](C[5,6]N[5,6]C[5]N[6])(C[6a]C[6a]H)2	C[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(N[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,8|H<1>}	C[5](C[5,6]N[5,6]C[6a]N[6])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6a](C[5,6]N[5,6]C[5]N[6])(C[6a]C[6a]H)2{2|C<3>,3|C<4>,5|H<1>}	111.8960	0.000	1	111.8960	0.000	1	111.8960	0.000	1	110.7147	1.222	3	112.1898	5.790	50	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6a]	3:3:4:3:	4:4:3:1:	4:3:3:	C[6,6a]-3:N[5,6]-3:C[5]-4:C[6a]-3:	C[5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,6]CH)(C[6a]C[6a]2)	C[5](C[5,6]C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]C[6]H)(COO)(H)	C[6a](C[5,6]C[6,6a]N[5,6]C[5])(C[6a]C[6a]H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,6]CH)(C[6a]C[6a]2){2|C<4>,5|C<3>,7|H<1>}	C[5](C[5,6]C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]C[6]H)(COO)(H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[5,6]C[6,6a]N[5,6]C[5])(C[6a]C[6a]H)2{3|C<4>,3|H<1>,4|C<3>}	111.0100	0.000	1	111.0100	0.000	1	111.0100	0.000	1	111.0100	0.000	1	112.1898	5.790	50	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6a]	3:3:4:4:	4:4:3:1:	4:3:2:	C[6a]-3:N[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[6a]-3:N[6a]-2:	C[5,6](C[6a]C[6a]N[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)	C[5](C[5,6]N[5,6]C[6a]C[6])(C[5]C[6a]C[5]H)(CC[6a]O)(H)	C[6a](C[5,6]N[5,6]C[5]C[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[5,6](C[6a]C[6a]N[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[5](C[5,6]N[5,6]C[6a]C[6])(C[5]C[6a]C[5]H)(CC[6a]O)(H){1|C<4>,1|N<2>,3|H<1>,5|C<3>}	C[6a](C[5,6]N[5,6]C[5]C[6])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|C<4>,5|H<1>}	111.6370	0.000	1	111.6370	0.000	1	111.6370	0.000	1	111.6370	0.000	1	112.1898	5.790	50	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6a]	3:4:3:3:	4:4:1:1:	4:3:3:	C[5,6]-3:C[5]-4:C[6a]-3:C[6]-3:	C[5,6]-4:Si[5]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]C[6,6a]C[5])(C[5]Si[5]HH)(C[6a]C[6a]2)(C[6]N[6]O)	C[5](C[5,6]C[5,6]C[6a]C[6])(Si[5]C[5]Si2)(H)2	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[6,6a]C[5])(C[5]Si[5]HH)(C[6a]C[6a]2)(C[6]N[6]O){2|Si<4>,1|C<4>,2|H<1>,5|C<3>}	C[5](C[5,6]C[5,6]C[6a]C[6])(Si[5]C[5]Si2)(H)2{1|N<3>,1|O<1>,4|C<3>}	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)2{1|Si<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	110.2520	0.000	1	110.2520	0.000	1	110.2520	0.000	1	110.2520	0.000	1	112.1898	5.790	50	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6a]	3:4:3:4:	4:2:1:1:	4:3:3:	N[5,6]-3:C[6]-4:C[6a]-3:C[5]-4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]HS)(C[6a]C[6a]2)(C[5]O[5]HH)	C[5](C[5,6]N[5,6]C[6a]C[6])(O[5]C[5])(H)2	C[6a](C[5,6]N[5,6]C[5]C[6])(C[6a]C[6a]H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]HS)(C[6a]C[6a]2)(C[5]O[5]HH){1|O<1>,4|C<3>,4|H<1>}	C[5](C[5,6]N[5,6]C[6a]C[6])(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,1|S<4>,3|C<3>}	C[6a](C[5,6]N[5,6]C[5]C[6])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,1|S<4>,3|C<3>,5|H<1>}	109.9660	0.000	1	109.9660	0.000	1	109.9660	0.000	1	109.9660	0.000	1	112.1898	5.790	50	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6a]	3:4:3:4:	4:3:1:1:	4:3:3:	C[5,6]-3:C[6]-4:C[6a]-3:C[5]-4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5]N[6])(C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5]C)(H)2	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5]N[6])(C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5]C)(H)2{1|H<1>,1|N<2>,2|O<2>,3|C<3>}	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)2{1|N<2>,1|O<2>,4|C<3>,5|H<1>}	109.8905	1.377	2	110.4590	1.917	3	110.4590	1.917	3	110.4590	1.917	3	112.1898	5.790	50	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6a]	3:4:3:4:	4:3:1:1:	4:3:3:	C[5,6]-3:C[6]-4:C[6a]-3:C[5]-4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5]N[6])(C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5]C)(H)2	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5]N[6])(C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)2{1|N<2>,1|O<2>,4|C<3>,5|H<1>}	111.5960	0.000	1	110.4590	1.917	3	110.4590	1.917	3	110.4590	1.917	3	112.1898	5.790	50	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6a]	3:4:3:4:	4:3:2:1:	4:3:3:	N[5,6]-3:C[5]-4:C[6a]-3:C[6]-4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[5](C[5,6]N[5,6]C[6a]C[6])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5,6]N[5,6]C[5]C[6])(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|O<1>,4|H<1>,6|C<3>}	C[5](C[5,6]N[5,6]C[6a]C[6])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[6a](C[5,6]N[5,6]C[5]C[6])(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	112.3380	0.000	1	112.3380	0.000	1	112.3380	0.000	1	112.3380	0.000	1	112.1898	5.790	50	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6a]	3:4:3:4:	4:3:3:1:	4:3:3:	N[5,6]-3:C[5]-4:C[6a]-3:C[6]-4:	C[5,6]-4:C[5,6a]-3:N-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HN)(C[6a]C[6a]2)(C[6]N[6]HH)	C[5](C[5,6]N[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(NHS)(H)	C[6a](C[5,6]N[5,6]C[5]C[6])(C[6a]C[6a]H)2	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HN)(C[6a]C[6a]2)(C[6]N[6]HH){1|C<4>,4|H<1>,5|C<3>}	C[5](C[5,6]N[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(NHS)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5,6]N[5,6]C[5]C[6])(C[6a]C[6a]H)2{1|C<4>,2|N<3>,3|C<3>,5|H<1>}	110.9255	0.035	2	110.9255	0.001	2	110.9255	0.001	2	110.9255	0.001	2	112.1898	5.790	50	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6a]	3:4:3:4:	4:3:4:4:	4:3:3:	N[5,6]-3:C[5]-4:C[6a]-3:C[6]-4:	C[5,6]-4:C[5,6a]-3:C-4:C-4:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6a]C[6a]2)(C[6]C[6]HH)	C[5](C[5,6]N[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(CCHH)(CH3)	C[6a](C[5,6]N[5,6]C[5]C[6])(C[6a]C[6a]H)2	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,4|C<3>,6|H<1>}	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[6a](C[5,6]N[5,6]C[5]C[6])(C[6a]C[6a]H)2{3|C<3>,4|C<4>,4|H<1>}	112.8840	0.000	1	112.8840	0.000	1	112.8840	0.000	1	112.8840	0.000	1	112.1898	5.790	50	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6a]	3:4:4:3:	4:3:1:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:C[6a]-3:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6a]C[6a]2)	C[5](C[5,6]C[6,6a]C[5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(H)2	C[6a](C[5,6]C[6,6a]C[5,6]C[5])(C[6a]C[6a]H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(H)2{1|N<3>,2|H<1>,6|C<3>}	C[6a](C[5,6]C[6,6a]C[5,6]C[5])(C[6a]C[6a]H)2{1|N<3>,5|C<3>,5|H<1>}	113.7320	0.000	1	113.7320	0.000	1	113.7320	0.000	1	113.7320	0.000	1	112.1898	5.790	50	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6a]	3:4:4:3:	4:4:1:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:C[6a]-3:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]HH)(C[5]C[5,5]HH)(C[6a]C[6a]2)	C[5](C[5,6]C[6,6a]C[5,6]C[6a])(C[5,5]C[5,5,6]C[5,6a]H)(H)2	C[6a](C[5,6]C[6,6a]C[5,6]C[5])(C[6a]C[6a]H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]HH)(C[5]C[5,5]HH)(C[6a]C[6a]2){2|C<4>,4|H<1>,5|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]C[6a])(C[5,5]C[5,5,6]C[5,6a]H)(H)2{2|C<4>,2|H<1>,6|C<3>}	C[6a](C[5,6]C[6,6a]C[5,6]C[5])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,6|H<1>}	110.0250	0.000	1	110.0250	0.000	1	110.0250	0.000	1	110.0250	0.000	1	112.1898	5.790	50	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6a]	4:2:3:4:	4:2:1:1:	4:3:3:	C[5,6]-4:O[5,6]-2:C[6a]-3:C[5]-4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[6a]C[6a]2)(C[5]O[5]HH)	C[5](C[5,6]C[5,6]O[5,6]C[6a])(O[5]C[5,6])(H)2	C[6a](C[5,6]C[5,6]O[5,6]C[5])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[6a]C[6a]2)(C[5]O[5]HH){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]O[5,6]C[6a])(O[5]C[5,6])(H)2{1|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6]C[5,6]O[5,6]C[5])(C[6a]C[6a]H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	114.7250	0.339	2	114.7250	0.115	2	114.7250	0.115	2	115.3543	1.246	3	112.1898	5.790	50	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6a]	4:2:3:4:	4:2:1:1:	4:3:3:	C[6,6]-4:O[5,6]-2:C[6a]-3:C[5]-4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6])(C[6a]C[6a]2)(C[5]O[5]HH)	C[5](C[5,6]C[6,6]O[5,6]C[6a])(O[5]C[5,6])(H)2	C[6a](C[5,6]C[6,6]O[5,6]C[5])(C[6a]C[6a]H)2	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6])(C[6a]C[6a]2)(C[5]O[5]HH){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[5](C[5,6]C[6,6]O[5,6]C[6a])(O[5]C[5,6])(H)2{1|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6]C[6,6]O[5,6]C[5])(C[6a]C[6a]H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	116.6130	0.000	1	116.6130	0.000	1	116.6130	0.000	1	115.3543	1.246	3	112.1898	5.790	50	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6a]	4:3:2:4:	4:2:1:1:	4:3:3:	C[5,6]-4:C[6a]-3:O[6]-2:C[5]-4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])(C[5]O[5]HH)	C[5](C[5,6]C[5,6]C[6a]O[6])(O[5]C[5,6])(H)2	C[6a](C[5,6]C[5,6]C[5]O[6])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])(C[5]O[5]HH){3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6a]O[6])(O[5]C[5,6])(H)2{3|H<1>,4|C<3>}	C[6a](C[5,6]C[5,6]C[5]O[6])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,6|H<1>}	114.0240	0.000	1	114.0240	0.000	1	114.0240	0.000	1	114.0240	0.000	1	112.1898	5.790	50	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6a]	4:3:4:2:	4:2:1:1:	4:3:3:	C[5,6,6]-4:C[6a]-3:C[5]-4:O[6]-2:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(C[5]O[5]HH)(O[6]C[6])	C[5](C[5,6]C[5,6,6]C[6a]O[6])(O[5]C[5,6])(H)2	C[6a](C[5,6]C[5,6,6]C[5]O[6])(C[6a]C[6a]H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(C[5]O[5]HH)(O[6]C[6]){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[5](C[5,6]C[5,6,6]C[6a]O[6])(O[5]C[5,6])(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6]C[5,6,6]C[5]O[6])(C[6a]C[6a]H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	114.0190	0.000	1	114.0190	0.000	1	114.0190	0.000	1	111.8820	9.134	2	112.1898	5.790	50	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6a]	4:3:4:2:	4:2:1:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:O[6]-2:	C[5,6]-4:S[5]-2:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6a]C[6a]2)(C[5]S[5]HH)(O[6]C[6])	C[5](C[5,6]C[5,6]C[6a]O[6])(S[5]C[5])(H)2	C[6a](C[5,6]C[5,6]C[5]O[6])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6a]C[6a]2)(C[5]S[5]HH)(O[6]C[6]){4|C<3>,6|H<1>}	C[5](C[5,6]C[5,6]C[6a]O[6])(S[5]C[5])(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6]C[5,6]C[5]O[6])(C[6a]C[6a]H)2{1|S<2>,2|C<3>,2|C<4>,5|H<1>}	109.7450	0.000	1	109.7450	0.000	1	109.7450	0.000	1	111.8820	9.134	2	112.1898	5.790	50	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6a]	4:3:4:3:	3:4:1:1:	4:3:3:	C[5,6]-4:C[5,6]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2C[6a])(H)2	C[6a](C[5,6]C[5,6]2C[5])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2C[6a])(H)2{1|C<4>,2|H<1>,6|C<3>}	C[6a](C[5,6]C[5,6]2C[5])(C[6a]C[6a]H)2{1|C<4>,5|C<3>,5|H<1>}	108.4990	0.000	1	108.4990	0.000	1	108.4990	0.000	1	108.4990	0.000	1	112.1898	5.790	50	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6a]	4:3:4:3:	4:3:1:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:C[6]-3:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]C[6]O[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]O)	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]O[5]O)(H)2	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]O[5]O)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)2{1|O<1>,2|C<3>,2|C<4>,2|O<2>,4|H<1>}	115.9780	0.000	1	115.9780	0.000	1	115.9780	0.000	1	115.9780	0.000	1	112.1898	5.790	50	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6a]	4:3:4:3:	4:4:1:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:C[6]-3:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]N[5]HH)(H)2	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5,6](C[5,6]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]H){4|C<3>,7|H<1>}	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]N[5]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|O<2>,4|H<1>}	115.0650	0.000	1	115.0650	0.000	1	115.0650	0.000	1	115.0650	0.000	1	112.1898	5.790	50	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6a]	4:3:4:3:	4:4:2:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:C[6]-3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HO)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]N[5]HH)(OC)(H)	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5,6](C[5,6]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HO)(C[6]C[6]H){1|C<4>,1|S<4>,2|C<3>,7|H<1>}	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]N[5]HH)(OC)(H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|O<2>,4|H<1>}	110.6702	2.656	5	110.6702	7.056	5	110.6702	7.056	5	110.6702	7.056	5	112.1898	5.790	50	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6a]	4:3:4:4:	4:2:1:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:C[6]-4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[6a]C[6a]2)(C[5]O[5]HH)(C[6]O[6]HH)	C[5](C[5,6]C[5,6]C[6a]C[6])(O[5]N[5])(H)2	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[6,6a]N[5]H)(C[6a]C[6a]2)(C[5]O[5]HH)(C[6]O[6]HH){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6a]C[6])(O[5]N[5])(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|O<2>,7|H<1>}	113.5010	0.000	1	113.5010	0.000	1	113.5010	0.000	1	113.5010	0.000	1	112.1898	5.790	50	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6a]	4:3:4:4:	4:3:1:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:C[6]-4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]HH)	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]N[5]O)(H)2	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]HH){1|C<2>,1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]N[5]O)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,2|C<4>,6|H<1>}	111.5810	0.000	1	111.5810	0.000	1	111.5810	0.000	1	111.5810	0.000	1	112.1898	5.790	50	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6a]	4:3:4:4:	4:4:1:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:C[6]-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]HH)	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]N[5]HH)(H)2	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5,6](C[5,6]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]HH){1|Cl<1>,1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]N[5]HH)(H)2{2|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|N<4>,1|O<2>,3|C<4>,6|H<1>}	110.4950	0.000	1	110.4950	0.000	1	111.0757	0.804	4	111.0757	0.804	4	112.1898	5.790	50	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6a]	4:3:4:4:	4:4:1:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:C[6]-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]HH)	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]N[5]HH)(H)2	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,3|C<3>,7|H<1>}	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]N[5]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|O<2>,5|H<1>}	111.8070	0.478	2	111.8070	0.228	2	111.0757	0.804	4	111.0757	0.804	4	112.1898	5.790	50	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6a]	4:3:4:4:	4:4:1:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:C[6]-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]N[6,6]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]HH)	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5]CH)(H)2	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)2	C[5,6](C[5,6]N[6,6]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,3|C<4>,7|H<1>}	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5]CH)(H)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6a](C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,3|C<4>,7|H<1>}	110.1940	0.000	1	110.1940	0.000	1	111.0757	0.804	4	111.0757	0.804	4	112.1898	5.790	50	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5,6]	C[5]	C[6a]	4:4:3:2:	4:4:3:1:	4:3:3:	C[5,6]-4:C[5]-4:C[6a]-3:O[6]-2:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5,6]HO)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])	C[5](C[5,6]C[5,6]C[6a]O[6])(C[5]C[5,6]CH)(C[6a]C[6a]2)(H)	C[6a](C[5,6]C[5,6]C[5]O[6])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5,6]HO)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a]){1|O<2>,3|H<1>,7|C<3>}	C[5](C[5,6]C[5,6]C[6a]O[6])(C[5]C[5,6]CH)(C[6a]C[6a]2)(H){2|O<2>,3|H<1>,6|C<3>}	C[6a](C[5,6]C[5,6]C[5]O[6])(C[6a]C[6a]H)2{1|O<2>,2|C<4>,3|C<3>,4|H<1>}	116.8275	0.271	2	116.8275	0.073	2	116.8275	0.073	2	116.8275	0.073	2	112.1898	5.790	50	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[3x5,6]	C[6a]	4:3:3:1:	4:4:2:3:	4:3:3:	C[3x5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,5,6]-4:C[5]-4:O[5,5]-2:C[5,6]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]C)(C[5]C[6a]N[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)	C[6a](C[5]C[3x5,6]N[5]H)(C[6a]C[6a]H)2	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[6a]C[6a]2)(N[5]C[5]S)(H){1|C<4>,5|C<3>,5|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]C)(C[5]C[6a]N[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H){1|S<4>,3|C<3>,4|H<1>}	C[6a](C[5]C[3x5,6]N[5]H)(C[6a]C[6a]H)2{1|O<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	113.5600	0.000	1	113.5600	0.000	1	113.5600	0.000	1	113.5600	0.000	1	113.3403	5.412	3	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[3x5,6]	C[6a]	4:3:3:3:	4:4:4:3:	4:3:3:	C[3x5,6]-4:N[5,5a]-3:C[6a]-3:C[6a]-3:	C[3x5]-4:C[5,5,6]-4:C[5]-4:C[5,6]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[3x5,6]C[5,5,6]C[3x5]C[5,6])(N[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)2	C[3x5,6](C[3x5]C[5,5,6]N[5,5a]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5,5a]C[6a]2)(C[5,6]C[5,6]H)	C[6a](C[5]C[3x5,6]N[5,5a]C[6a])(C[6a]C[6a]H)2	C[5](C[3x5,6]C[5,5,6]C[3x5]C[5,6])(N[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)2{1|N<3>,1|O<1>,2|C<4>,7|C<3>,7|H<1>}	C[3x5,6](C[3x5]C[5,5,6]N[5,5a]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5,5a]C[6a]2)(C[5,6]C[5,6]H){1|C<4>,4|H<1>,7|C<3>}	C[6a](C[5]C[3x5,6]N[5,5a]C[6a])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,2|H<1>,5|C<3>}	113.2305	3.279	2	113.2305	10.751	2	113.2305	10.751	2	113.2305	10.751	2	113.3403	5.412	3	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[3x5]	C[6a]	4:3:4:1:	4:4:4:4:	4:3:3:	C[3x5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:C[5]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[3x5]C[5,5,6]2C[5])(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[3x5](C[5,5,6]C[5,5,6]C[5,6]H)2(C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[6a](C[5]C[3x5]C[5]H)(C[6a]C[6a]H)2	C[5](C[3x5]C[5,5,6]2C[5])(C[6a]C[6a]2)(C[5]C[5]CC)(H){2|C<4>,5|C<3>,7|H<1>}	C[3x5](C[5,5,6]C[5,5,6]C[5,6]H)2(C[5]C[6a]C[5]H)(C[5]C[5]CH){1|C<2>,5|C<3>,6|H<1>}	C[6a](C[5]C[3x5]C[5]H)(C[6a]C[6a]H)2{1|C<2>,2|C<3>,2|H<1>,4|C<4>}	122.9880	0.000	1	120.8850	8.845	2	120.8850	8.845	2	120.8850	8.845	2	120.8850	8.845	2	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[3x5]	C[6a]	4:3:4:1:	4:4:4:4:	4:3:3:	C[3x5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:C[5]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[3x5]C[5,5,6]2C[5])(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[3x5](C[5,5,6]C[5,5,6]C[5,6]H)2(C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[6a](C[5]C[3x5]C[5]H)(C[6a]C[6a]H)2	C[5](C[3x5]C[5,5,6]2C[5])(C[6a]C[6a]2)(C[5]C[5]CC)(H){2|C<4>,5|C<3>,7|H<1>}	C[3x5](C[5,5,6]C[5,5,6]C[5,6]H)2(C[5]C[6a]C[5]H)(C[5]C[5]CH){2|C<2>,4|C<3>,6|H<1>}	C[6a](C[5]C[3x5]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<2>,2|H<1>,4|C<4>}	118.7820	0.000	1	120.8850	8.845	2	120.8850	8.845	2	120.8850	8.845	2	120.8850	8.845	2	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5,6,6]	C[6a]	4:3:3:1:	3:4:4:4:	4:3:3:	C[5,5,6,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5,5,6,6]-4:C[5]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Re)(C[5,5,6,6]C[5,6,6a]2C[5])(C[5]C[6a]N[5]H)	C[6a](C[5]C[5,5,6,6]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]P)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[6a]C[6a]2)(N[5]C[5]C)(H){1|Re<7>,1|C<4>,1|P<4>,3|H<1>,7|C<3>}	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Re)(C[5,5,6,6]C[5,6,6a]2C[5])(C[5]C[6a]N[5]H){10|C<3>,1|C<4>,2|H<1>}	C[6a](C[5]C[5,5,6,6]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]P){2|C<3>,2|H<1>,4|C<4>}	111.8270	0.000	1	111.8270	0.000	1	112.3713	2.349	3	112.3713	2.349	3	112.5250	1.661	4	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5,6,6]	C[6a]	4:3:3:1:	3:4:4:4:	4:3:3:	C[5,5,6,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5,5,6,6]-4:C[5]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]W)(C[5,5,6,6]C[5,6,6a]2C[5])(C[5]C[6a]N[5]H)	C[6a](C[5]C[5,5,6,6]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]P)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,1|P<4>,1|W<7>,3|H<1>,7|C<3>}	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]W)(C[5,5,6,6]C[5,6,6a]2C[5])(C[5]C[6a]N[5]H){10|C<3>,1|C<4>,2|H<1>}	C[6a](C[5]C[5,5,6,6]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]P){2|C<3>,2|H<1>,4|C<4>}	111.1850	0.000	1	111.1850	0.000	1	112.3713	2.349	3	112.3713	2.349	3	112.5250	1.661	4	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5,6,6]	C[6a]	4:3:3:1:	3:4:4:4:	4:3:3:	C[5,5,6,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5,5,6,6]-4:C[5]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Re)(C[5,5,6,6]C[5,6,6a]2C[5])(C[5]C[6a]N[5]H)	C[6a](C[5]C[5,5,6,6]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]P)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[6a]C[6a]2)(N[5]C[5]C)(H){1|Re<6>,1|C<4>,1|P<4>,3|H<1>,7|C<3>}	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Re)(C[5,5,6,6]C[5,6,6a]2C[5])(C[5]C[6a]N[5]H){2|C<4>,2|H<1>,9|C<3>}	C[6a](C[5]C[5,5,6,6]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]P){2|C<3>,2|H<1>,4|C<4>}	114.1020	0.000	1	114.1020	0.000	1	112.3713	2.349	3	112.3713	2.349	3	112.5250	1.661	4	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5,6,6]	C[6a]	4:4:3:1:	3:3:4:4:	4:3:3:	C[5,5,6,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:C[5]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[5]Si[5]HH)(C[6a]C[6a]2)(H)	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2Si[5])(C[5]C[6a]C[5]H)	C[6a](C[5]C[5,5,6,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[5]Si[5]HH)(C[6a]C[6a]2)(H){10|C<3>,2|H<1>}	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2Si[5])(C[5]C[6a]C[5]H){12|C<3>,2|H<1>}	C[6a](C[5]C[5,5,6,6]C[5]H)(C[6a]C[6a]H)2{1|Si<4>,1|C<4>,3|C<3>,4|H<1>}	112.9860	0.000	1	112.9860	0.000	1	112.9860	0.000	1	112.9860	0.000	1	112.5250	1.661	4	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5,6]	C[6a]	4:3:2:1:	4:4:4:3:	3:4:3:	C[5,5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-3:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[6a]C[6a,6a]C[6a])(O[5]C[5])(H)	C[5,5,6](C[5,5,6]C[6,6a]N[5,6]C[5])(C[5]C[6a]O[5]H)(C[5]C[5,6]HH)(C[6]N[6]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5,6]O[5]H)(C[6a]C[6a]H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[6a]C[6a,6a]C[6a])(O[5]C[5])(H){1|C<4>,2|N<3>,2|O<1>,3|H<1>,4|C<3>}	C[5,5,6](C[5,5,6]C[6,6a]N[5,6]C[5])(C[5]C[6a]O[5]H)(C[5]C[5,6]HH)(C[6]N[6]O){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5,6]O[5]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	119.7660	0.000	1	119.7660	0.000	1	119.7660	0.000	1	119.7660	0.000	1	116.1020	4.340	29	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5,6]	C[6a]	4:3:2:1:	4:4:4:3:	4:3:3:	C[5,5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,5,6](C[5,5,6]C[6,6a]C[5]N[5])(C[5]C[6a]O[5]H)(C[5]C[5]HH)(C[6]N[6]O)	C[6a](C[5]C[5,5,6]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<2>,2|N<3>,2|O<1>,3|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[6,6a]C[5]N[5])(C[5]C[6a]O[5]H)(C[5]C[5]HH)(C[6]N[6]O){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,5,6]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	117.7560	0.252	2	117.7560	0.063	2	117.8323	0.049	3	117.8323	0.049	3	116.1020	4.340	29	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5,6]	C[6a]	4:3:2:1:	4:4:4:3:	4:3:3:	C[5,5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,5,6](C[5,5,6]C[6,6a]C[5]N[5])(C[5]C[6a]O[5]H)(C[5]C[5]HH)(C[6]N[6]O)	C[6a](C[5]C[5,5,6]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,2|N<3>,2|O<1>,3|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[6,6a]C[5]N[5])(C[5]C[6a]O[5]H)(C[5]C[5]HH)(C[6]N[6]O){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,5,6]O[5]H)(C[6a]C[6a]H)2{1|H<1>,3|C<3>,3|C<4>}	117.9850	0.000	1	117.9850	0.000	1	117.8323	0.049	3	117.8323	0.049	3	116.1020	4.340	29	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5,6]	C[6a]	4:3:2:1:	4:4:4:4:	4:3:3:	C[5,5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,5,6,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6,6]C[5]C[6])(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[5,5,6](C[5,5,6,6]C[5,6]O[5,6]C[6])(C[5]C[6a]O[5]H)(C[5]C[5,6]HH)(C[6]C[6]HH)	C[6a](C[5]C[5,5,6]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5](C[5,5,6]C[5,5,6,6]C[5]C[6])(C[6a]C[6a]2)(O[5]C[5,6])(H){1|O<2>,2|C<3>,4|C<4>,7|H<1>}	C[5,5,6](C[5,5,6,6]C[5,6]O[5,6]C[6])(C[5]C[6a]O[5]H)(C[5]C[5,6]HH)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6a](C[5]C[5,5,6]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	118.2160	0.000	1	118.2160	0.000	1	118.2160	0.000	1	117.5640	0.850	2	116.1020	4.340	29	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5,6]	C[6a]	4:3:2:1:	4:4:4:4:	4:3:3:	C[5,5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,5,6](C[5,5,6]C[5]C[6]O[5])(C[5]C[6a]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6a](C[5]C[5,5,6]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<2>,2|C<3>,4|C<4>,7|H<1>}	C[5,5,6](C[5,5,6]C[5]C[6]O[5])(C[5]C[6a]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,2|C<4>,7|H<1>}	C[6a](C[5]C[5,5,6]O[5]H)(C[6a]C[6a]H)2{1|C<3>,6|C<4>}	116.9120	0.000	1	116.9120	0.000	1	116.9120	0.000	1	117.5640	0.850	2	116.1020	4.340	29	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5,6]	C[6a]	4:3:3:1:	4:4:4:1:	4:3:3:	C[5,5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6]2H)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[6a]N[5]H)(H)	C[6a](C[5]C[5,5,6]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5,6]C[5,5,6]2H)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[6a]N[5]H)(H){1|C<4>,1|O<1>,1|S<4>,2|C<3>,5|H<1>}	C[6a](C[5]C[5,5,6]N[5]H)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,2|C<4>,3|H<1>}	112.4680	0.000	1	112.4680	0.000	1	112.4680	0.000	1	112.9130	0.396	2	116.1020	4.340	29	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5,6]	C[6a]	4:3:3:1:	4:4:4:1:	4:3:3:	C[5,5,6]-4:N[5]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,6]C[5,5,6]O[5]H)(C[5]C[6a]N[5]H)(H)	C[6a](C[5]C[5,5,6]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,6]C[5,5,6]O[5]H)(C[5]C[6a]N[5]H)(H){1|H<1>,5|C<3>}	C[6a](C[5]C[5,5,6]N[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	113.3580	0.000	1	113.3580	0.000	1	113.3580	0.000	1	112.9130	0.396	2	116.1020	4.340	29	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5,6]	C[6a]	4:3:3:1:	4:4:4:3:	4:3:3:	C[5,5,6]-4:C[6a]-3:N[5]-3:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-4:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5,6]C[3x5,6]C[5,6]C)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]C[6a]N[5]H)(COO)	C[6a](C[5]C[5,5,6]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[5,5,6]C[3x5,6]C[5,6]C)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|Br<1>,1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]C[6a]N[5]H)(COO){1|S<4>,3|C<3>,4|H<1>}	C[6a](C[5]C[5,5,6]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>,3|C<4>}	115.3420	0.000	1	115.3420	0.000	1	115.3420	0.000	1	115.3420	0.000	1	116.1020	4.340	29	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5,6]	C[6a]	4:3:4:1:	4:4:4:3:	4:3:3:	C[5,5,6]-4:C[6a]-3:C[5]-4:H-1:	C[3x5]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,5,6](C[3x5]C[5,5]C[5]N[5])(C[5,6]N[5,6]HH)(C[5]C[6a]C[5]H)(C[6]C[6]O)	C[6a](C[5]C[5,5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5,5,6](C[3x5]C[5,5]C[5]N[5])(C[5,6]N[5,6]HH)(C[5]C[6a]C[5]H)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	115.3710	0.000	1	114.0420	1.500	3	114.0388	0.869	6	114.0388	0.869	6	116.1020	4.340	29	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5,6]	C[6a]	4:3:4:1:	4:4:4:3:	4:3:3:	C[5,5,6]-4:C[6a]-3:C[5]-4:H-1:	C[3x5]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,5,6](C[3x5]C[5,5]C[5]N[5])(C[5,6]N[5,6]HH)(C[5]C[6a]C[5]H)(C[6]C[6]O)	C[6a](C[5]C[5,5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5,5,6](C[3x5]C[5,5]C[5]N[5])(C[5,6]N[5,6]HH)(C[5]C[6a]C[5]H)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	113.3775	0.592	2	114.0420	1.500	3	114.0388	0.869	6	114.0388	0.869	6	116.1020	4.340	29	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5,6]	C[6a]	4:3:4:1:	4:4:4:3:	4:3:3:	C[5,5,6]-4:C[6a]-3:C[5]-4:H-1:	C[3x5]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,5,6](C[3x5]C[5,6a]C[5,5]N[5])(C[5,6]C[5,6]HH)(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)	C[6a](C[5]C[5,5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|Cl<1>,1|O<1>,3|C<4>,3|H<1>,4|C<3>}	C[5,5,6](C[3x5]C[5,6a]C[5,5]N[5])(C[5,6]C[5,6]HH)(C[5]C[6a]C[5]H)(C[6]C[6,6a]O){1|C<4>,1|O<2>,3|H<1>,7|C<3>}	C[6a](C[5]C[5,5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	113.2660	0.000	1	113.2660	0.000	1	114.0388	0.869	6	114.0388	0.869	6	116.1020	4.340	29	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5,6]	C[6a]	4:3:4:1:	4:4:4:3:	4:3:3:	C[5,5,6]-4:C[6a]-3:C[5]-4:H-1:	C[3x5]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,5,6](C[3x5]C[5,6a]C[5,5]N[5])(C[5,6]N[5,6]HH)(C[5]C[6a]C[5]H)(C[6]C[6]O)	C[6a](C[5]C[5,5,6]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|Br<1>,1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5,5,6](C[3x5]C[5,6a]C[5,5]N[5])(C[5,6]N[5,6]HH)(C[5]C[6a]C[5]H)(C[6]C[6]O){1|O<2>,2|C<4>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,5,6]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	113.9430	0.000	1	113.9430	0.000	1	114.0388	0.869	6	114.0388	0.869	6	116.1020	4.340	29	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5,6]	C[6a]	4:3:4:1:	4:4:4:3:	4:3:3:	C[5,5,6]-4:C[6a]-3:C[5]-4:H-1:	C[3x5]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,5,6](C[3x5]C[5,6a]C[5,5]N[5])(C[5,6]N[5,6]HH)(C[5]C[6a]C[5]H)(C[6]C[6]O)	C[6a](C[5]C[5,5,6]C[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|F<1>,1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5,5,6](C[3x5]C[5,6a]C[5,5]N[5])(C[5,6]N[5,6]HH)(C[5]C[6a]C[5]H)(C[6]C[6]O){1|O<2>,2|C<4>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,5,6]C[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	114.8980	0.000	1	114.8980	0.000	1	114.0388	0.869	6	114.0388	0.869	6	116.1020	4.340	29	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5,6]	C[6a]	4:4:3:1:	4:4:3:4:	4:3:3:	C[5,5,6]-4:C[5,5]-4:C[6a]-3:H-1:	C[3x5]-4:C[5]-4:C[5,6]-3:C[6]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[5,5,6](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5,6]C[5,6]O)(C[6]N[6]HH)	C[6a](C[5]C[5,5,6]C[5,5]H)(C[6a]C[6a]H)2	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,3|C<3>,4|C<4>,6|H<1>}	C[5,5,6](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5,6]C[5,6]O)(C[6]N[6]HH){1|O<1>,1|O<2>,2|H<1>,4|C<3>,4|C<4>}	C[6a](C[5]C[5,5,6]C[5,5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	114.9860	1.428	3	114.9860	2.039	3	114.9860	2.039	3	114.9860	2.039	3	116.1020	4.340	29	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5,6]	C[6a]	4:4:3:1:	4:4:4:1:	4:3:3:	N[5,6,6]-4:C[5,5,6]-4:C[6a]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5,6,6]N[5,6,6]C[3x6]H)(C[5,5,6]C[5,5,6]2H)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,5,6]C[5,5,6]N[5,6,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5,6,6]C[6a]H)(H)	C[6a](C[5]C[5,5,6]N[5,6,6]H)(C[6a]C[6a]H)2	C[5](N[5,6,6]N[5,6,6]C[3x6]H)(C[5,5,6]C[5,5,6]2H)(C[6a]C[6a]2)(H){2|C<3>,5|H<1>,6|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5,6,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5,6,6]C[6a]H)(H){2|C<3>,3|C<4>,6|H<1>}	C[6a](C[5]C[5,5,6]N[5,6,6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	118.9400	0.000	1	118.9400	0.000	1	118.9400	0.000	1	118.9400	0.000	1	116.1020	4.340	29	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5,6]	C[6a]	4:4:3:1:	4:4:4:3:	4:3:3:	C[5,5,6]-4:C[5,5]-4:C[6a]-3:H-1:	C[3x5]-4:C[5]-4:C[5,6]-4:C[6]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[5,5,6](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5,6]N[5,6]HH)(C[6]C[6]O)	C[6a](C[5]C[5,5,6]C[5,5]H)(C[6a]C[6a]H)2	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,3|C<4>,4|C<3>,6|H<1>}	C[5,5,6](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5,6]N[5,6]HH)(C[6]C[6]O){1|H<1>,1|O<1>,1|O<2>,3|C<4>,5|C<3>}	C[6a](C[5]C[5,5,6]C[5,5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	115.9630	0.000	1	115.9630	0.000	1	116.5162	2.748	5	116.9267	2.224	10	116.1020	4.340	29	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5,6]	C[6a]	4:4:3:1:	4:4:4:3:	4:3:3:	C[5,5,6]-4:C[5,5]-4:C[6a]-3:H-1:	C[3x5]-4:C[5]-4:C[5,6]-4:C[6]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[5,5,6](C[3x5]C[5,6a]C[5,5]N[5,5])(C[5]C[5,5]C[6a]H)(C[5,6]N[5,6]HH)(C[6]C[6]O)	C[6a](C[5]C[5,5,6]C[5,5]H)(C[6a]C[6a]H)2	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|S<2>,2|C<4>,4|C<3>,6|H<1>}	C[5,5,6](C[3x5]C[5,6a]C[5,5]N[5,5])(C[5]C[5,5]C[6a]H)(C[5,6]N[5,6]HH)(C[6]C[6]O){1|H<1>,1|O<2>,3|C<4>,6|C<3>}	C[6a](C[5]C[5,5,6]C[5,5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	117.3970	0.000	1	115.6670	5.986	2	116.5162	2.748	5	116.9267	2.224	10	116.1020	4.340	29	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5,6]	C[6a]	4:4:3:1:	4:4:4:3:	4:3:3:	C[5,5,6]-4:C[5,5]-4:C[6a]-3:H-1:	C[3x5]-4:C[5]-4:C[5,6]-4:C[6]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[5,5,6](C[3x5]C[5,6a]C[5,5]N[5,5])(C[5]C[5,5]C[6a]H)(C[5,6]N[5,6]HH)(C[6]C[6]O)	C[6a](C[5]C[5,5,6]C[5,5]H)(C[6a]C[6a]H)2	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,3|C<4>,4|C<3>,6|H<1>}	C[5,5,6](C[3x5]C[5,6a]C[5,5]N[5,5])(C[5]C[5,5]C[6a]H)(C[5,6]N[5,6]HH)(C[6]C[6]O){1|H<1>,1|O<2>,3|C<4>,6|C<3>}	C[6a](C[5]C[5,5,6]C[5,5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	113.9370	0.000	1	115.6670	5.986	2	116.5162	2.748	5	116.9267	2.224	10	116.1020	4.340	29	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5,6]	C[6a]	4:4:3:1:	4:4:4:3:	4:3:3:	C[5,5,6]-4:C[5,5]-4:C[6a]-3:H-1:	C[3x5]-4:C[5]-4:C[5,6]-4:C[6]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5,5]N[5,5]S[5]H)(C[6a]C[6a]2)(H)	C[5,5,6](C[3x5]C[5,6a]C[5,5]N[5,5])(C[5]C[5,5]C[6a]H)(C[5,6]N[5,6]HH)(C[6]C[6]O)	C[6a](C[5]C[5,5,6]C[5,5]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5,5]N[5,5]S[5]H)(C[6a]C[6a]2)(H){1|F<1>,1|N<3>,1|O<1>,3|C<4>,3|H<1>,4|C<3>}	C[5,5,6](C[3x5]C[5,6a]C[5,5]N[5,5])(C[5]C[5,5]C[6a]H)(C[5,6]N[5,6]HH)(C[6]C[6]O){1|H<1>,1|O<2>,1|S<2>,2|C<4>,6|C<3>}	C[6a](C[5]C[5,5,6]C[5,5]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|N<3>,1|S<2>,2|C<3>,2|C<4>,3|H<1>}	117.0410	0.000	1	117.0410	0.000	1	116.5162	2.748	5	116.9267	2.224	10	116.1020	4.340	29	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5,6]	C[6a]	4:4:3:1:	4:4:4:3:	4:3:3:	C[5,5,6]-4:C[5,5]-4:C[6a]-3:H-1:	C[3x5]-4:C[5]-4:C[5,6]-4:C[6]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5,5]N[5,5]S[5]H)(C[6a]C[6a]2)(H)	C[5,5,6](C[3x5]C[5,6a]C[5,5]N[5,5])(C[5]C[5,5]C[6a]H)(C[5,6]N[5,6]HH)(C[6]C[6]O)	C[6a](C[5]C[5,5,6]C[5,5]H)(C[6a]C[6a]H)2	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5,5]N[5,5]S[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,3|C<4>,4|C<3>,4|H<1>}	C[5,5,6](C[3x5]C[5,6a]C[5,5]N[5,5])(C[5]C[5,5]C[6a]H)(C[5,6]N[5,6]HH)(C[6]C[6]O){1|H<1>,1|O<2>,1|S<2>,2|C<4>,6|C<3>}	C[6a](C[5]C[5,5,6]C[5,5]H)(C[6a]C[6a]H)2{1|N<3>,1|S<2>,2|C<3>,2|C<4>,3|H<1>}	118.2430	0.000	1	118.2430	0.000	1	116.5162	2.748	5	116.9267	2.224	10	116.1020	4.340	29	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5,6]	C[6a]	4:4:3:1:	4:4:4:3:	4:3:3:	C[5,5,6]-4:C[5]-4:C[6a]-3:H-1:	C[3x5]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[5,5,6](C[3x5]C[5,5]C[5]N[5])(C[5,6]N[5,6]HH)(C[5]C[6a]C[5]H)(C[6]C[6]O)	C[6a](C[5]C[5,5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,5|H<1>,6|C<3>}	C[5,5,6](C[3x5]C[5,5]C[5]N[5])(C[5,6]N[5,6]HH)(C[5]C[6a]C[5]H)(C[6]C[6]O){1|C<4>,1|O<1>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	116.5905	1.520	2	116.5905	2.309	2	117.3372	1.834	5	116.9267	2.224	10	116.1020	4.340	29	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5,6]	C[6a]	4:4:3:1:	4:4:4:3:	4:3:3:	C[5,5,6]-4:C[5]-4:C[6a]-3:H-1:	C[3x5]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[5,5,6](C[3x5]C[5,6a]C[5,5]N[5])(C[5,6]N[5,6]HH)(C[5]C[6a]C[5]H)(C[6]C[6]O)	C[6a](C[5]C[5,5,6]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,4|H<1>,6|C<3>}	C[5,5,6](C[3x5]C[5,6a]C[5,5]N[5])(C[5,6]N[5,6]HH)(C[5]C[6a]C[5]H)(C[6]C[6]O){1|C<4>,1|O<2>,2|H<1>,7|C<3>}	C[6a](C[5]C[5,5,6]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	119.1330	0.000	1	119.1330	0.000	1	117.3372	1.834	5	116.9267	2.224	10	116.1020	4.340	29	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5,6]	C[6a]	4:4:3:1:	4:4:4:3:	4:3:3:	C[5,5,6]-4:C[5]-4:C[6a]-3:H-1:	C[3x5]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[5,5,6](C[3x5]C[5,6a]C[5,5]N[5])(C[5,6]N[5,6]HH)(C[5]C[6a]C[5]H)(C[6]C[6]O)	C[6a](C[5]C[5,5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,5|H<1>,6|C<3>}	C[5,5,6](C[3x5]C[5,6a]C[5,5]N[5])(C[5,6]N[5,6]HH)(C[5]C[6a]C[5]H)(C[6]C[6]O){1|C<4>,1|O<2>,2|H<1>,7|C<3>}	C[6a](C[5]C[5,5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	117.1860	0.800	2	117.1860	0.641	2	117.3372	1.834	5	116.9267	2.224	10	116.1020	4.340	29	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	3:4:2:1:	4:4:2:1:	3:4:2:	C[6a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[6a,6a]-3:C[5]-4:N[6a]-2:	C[5](C[6a]C[6a,6a]N[6a])(C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]O[5]H)(O[5]C[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]O[5]H)(N[6a]C[6a,6a])	C[5](C[6a]C[6a,6a]N[6a])(C[5,5]C[5,5]O[5]H)(O[5]C[5])(H){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]O[5]H)(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]O[5]H)(N[6a]C[6a,6a]){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	114.9600	0.513	2	114.9600	0.264	2	114.9600	0.264	2	114.9600	0.264	2	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	3:4:2:1:	4:4:4:3:	3:4:3:	C[6a]-3:C[5,5]-4:O[5]-2:H-1:	C[3x5]-4:C[5]-4:C[5]-4:C-3:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5](C[6a]C[6a,6a]C[6a])(C[5,5]C[3x5]C[5]C)(O[5]C[5,5])(H)	C[5,5](C[3x5]C[5,5]C[5]N[5])(C[5]C[6a]O[5]H)(C[5]C[5]HH)(COO)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5]C[5,5]O[5]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5,5]C[3x5]C[5]C)(O[5]C[5,5])(H){1|C<4>,1|N<3>,1|O<2>,3|H<1>,5|C<3>}	C[5,5](C[3x5]C[5,5]C[5]N[5])(C[5]C[6a]O[5]H)(C[5]C[5]HH)(COO){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5]C[5,5]O[5]H)(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	116.9250	0.000	1	116.9250	0.000	1	116.9250	0.000	1	116.9250	0.000	1	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	3:4:3:1:	4:2:3:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:O[5]-2:C[5]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(C[5]N[5]C)(C[5]N[5]O)	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(C[5]N[5]C)(C[5]N[5]O){5|C<3>}	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,5|C<3>}	117.1620	0.000	1	115.4768	1.937	4	115.4768	1.937	4	115.4768	1.937	4	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	3:4:3:1:	4:2:3:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:O[5]-2:C[5]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(C[5]N[5]C)(C[5]N[5]O)	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>,2|O<1>,3|C<3>}	C[5,5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(C[5]N[5]C)(C[5]N[5]O){5|C<3>}	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2{1|Br<1>,1|H<1>,1|O<2>,5|C<3>}	113.7540	0.000	1	115.4768	1.937	4	115.4768	1.937	4	115.4768	1.937	4	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	3:4:3:1:	4:2:3:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:O[5]-2:C[5]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(C[5]N[5]C)(C[5]N[5]O)	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>,2|O<1>,3|C<3>}	C[5,5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(C[5]N[5]C)(C[5]N[5]O){5|C<3>}	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,5|C<3>}	115.4720	0.000	1	115.4768	1.937	4	115.4768	1.937	4	115.4768	1.937	4	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	3:4:3:1:	4:2:3:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:O[5]-2:C[5]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(C[5]N[5]C)(C[5]N[5]O)	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|N<3>,3|N<2>}	C[5,5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(C[5]N[5]C)(C[5]N[5]O){1|N<2>,4|C<3>}	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,5|C<3>}	115.5190	0.000	1	115.4768	1.937	4	115.4768	1.937	4	115.4768	1.937	4	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	3:4:3:1:	4:2:4:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:O[5]-2:C[5]-4:N[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(C[5]O[5]HH)(N[5]C[5]S)	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(C[6a]C[6a]2)(H){1|O<2>,1|S<4>,5|C<3>,5|H<1>}	C[5,5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(C[5]O[5]HH)(N[5]C[5]S){1|O<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	115.9030	0.000	1	115.9030	0.000	1	115.9030	0.000	1	115.9030	0.000	1	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	3:4:3:1:	4:3:2:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-3:O[5]-2:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,6a]C[6a]H)(C[5]C[6a]N[5])(O[5]C[5,6a])(C[5]N[5]O)	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5,5](C[5]C[5,6a]C[6a]H)(C[5]C[6a]N[5])(O[5]C[5,6a])(C[5]N[5]O){7|C<3>}	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,5|C<3>}	115.4690	0.000	1	115.4690	0.000	1	115.4690	0.000	1	115.4690	0.000	1	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	3:4:3:1:	4:3:3:2:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[5]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]H)(C[5]C[5,6a]O)(O[5]C[5,6a])	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[6a]C[6a]2)(H){1|O<1>,4|H<1>,6|C<3>}	C[5,5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]H)(C[5]C[5,6a]O)(O[5]C[5,6a]){6|C<3>}	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,5|C<3>}	114.0950	0.000	1	114.0950	0.000	1	114.0950	0.000	1	114.0950	0.000	1	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	3:4:3:1:	4:4:3:1:	4:3:3:	N[5,5]-3:C[5,5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5,5]C[5,5]C[5,6])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[6a]H)(C[5]N[5]O)(H)	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2	C[5](N[5,5]C[5,5]C[5,6])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,4|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[6a]H)(C[5]N[5]O)(H){1|O<1>,3|C<3>,3|C<4>}	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	115.1850	0.000	1	115.5990	0.343	2	115.5990	0.343	2	115.5990	0.343	2	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	3:4:3:1:	4:4:3:1:	4:3:3:	N[5,5]-3:C[5,5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5,5]C[5,5]C[5,6])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[6a]H)(C[5]N[5]O)(H)	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2	C[5](N[5,5]C[5,5]C[5,6])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,4|H<1>,7|C<3>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[6a]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,4|C<3>}	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	116.0130	0.000	1	115.5990	0.343	2	115.5990	0.343	2	115.5990	0.343	2	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	3:4:3:1:	4:4:3:2:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,6a]C[6a]H)(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]N[5])	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,4|H<1>,6|C<3>}	C[5,5](C[5]C[5,6a]C[6a]H)(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]N[5]){7|C<3>}	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	114.5770	0.000	1	114.5770	0.000	1	114.5770	0.000	1	114.5770	0.000	1	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	3:4:3:1:	4:4:3:3:	4:3:3:	N[5,5]-3:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5,5]N[5,5]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2)(H)	C[5,5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]CH)(C[5]C[5,6a]O)2	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2	C[5](N[5,5]N[5,5]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2)(H){2|C<4>,2|O<1>,5|C<3>,5|H<1>}	C[5,5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]CH)(C[5]C[5,6a]O)2{1|C<4>,5|C<3>}	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	118.1120	0.000	1	118.1120	0.000	1	116.9973	1.493	9	116.7452	1.963	10	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	3:4:3:1:	4:4:3:3:	4:3:3:	N[5,5]-3:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5,5]N[5,5]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2)(H)	C[5,5](C[5]N[5,5]C[6a]H)2(C[5]C[5,6a]O)2	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2	C[5](N[5,5]N[5,5]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2)(H){1|C<4>,2|O<1>,5|H<1>,6|C<3>}	C[5,5](C[5]N[5,5]C[6a]H)2(C[5]C[5,6a]O)2{1|C<4>,7|C<3>}	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	117.7940	1.045	4	116.8580	1.506	8	116.9973	1.493	9	116.7452	1.963	10	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	3:4:3:1:	4:4:3:3:	4:3:3:	N[5,5]-3:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5,5]N[5,5]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2)(H)	C[5,5](C[5]N[5,5]C[6a]H)2(C[5]C[5,6a]O)2	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2	C[5](N[5,5]N[5,5]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,3|O<1>,5|C<3>}	C[5,5](C[5]N[5,5]C[6a]H)2(C[5]C[5,6a]O)2{1|C<4>,7|C<3>}	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	115.9480	0.000	1	116.8580	1.506	8	116.9973	1.493	9	116.7452	1.963	10	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	3:4:3:1:	4:4:3:3:	4:3:3:	N[5,5]-3:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5,5]N[5,5]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2)(H)	C[5,5](C[5]N[5,5]C[6a]H)2(C[5]C[5,6a]O)2	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2	C[5](N[5,5]N[5,5]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,3|O<1>,5|C<3>}	C[5,5](C[5]N[5,5]C[6a]H)2(C[5]C[5,6a]O)2{1|C<4>,7|C<3>}	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	115.9133	0.359	3	116.8580	1.506	8	116.9973	1.493	9	116.7452	1.963	10	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	3:4:3:1:	4:4:3:3:	4:3:3:	N[5,5]-3:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5,5]C[5,6a]C[5,5])(C[5,5]C[5]2N[5])(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]C[6a]H)(C[5]C[5,6a]O)(N[5]C[5,6a]H)	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2	C[5](N[5,5]C[5,6a]C[5,5])(C[5,5]C[5]2N[5])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,4|H<1>,8|C<3>}	C[5,5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]C[6a]H)(C[5]C[5,6a]O)(N[5]C[5,6a]H){1|O<2>,8|C<3>}	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	114.4760	0.000	1	114.4760	0.000	1	114.4760	0.000	1	116.7452	1.963	10	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	3:4:3:1:	4:4:4:1:	4:3:3:	C[5,5a]-3:C[5,5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,5]C[5,5a]O[5]H)(C[5]C[5,5a]C[6a]H)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5a]C[5,5]H)(C[6a]C[6a]H)2	C[5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,1|S<4>,4|C<3>,5|H<1>}	C[5,5](C[5,5]C[5,5a]O[5]H)(C[5]C[5,5a]C[6a]H)(C[5]C[5]HH)(H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5]C[5,5a]C[5,5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	112.0100	0.000	1	112.0100	0.000	1	112.0100	0.000	1	112.0100	0.000	1	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	3:4:3:2:	4:4:2:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:O-2:	C[5,5]-4:C[5]-4:O[5]-2:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]C)(C[6a]C[6a]2)(OH)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a]O)(O[5]C[5])(COO)	C[6a](C[5]C[5,6a]C[5,5]O)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]C)(C[6a]C[6a]2)(OH){1|C<4>,4|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a]O)(O[5]C[5])(COO){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5,5]O)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	113.2710	0.000	1	113.2710	0.000	1	113.4215	0.045	2	113.4215	0.045	2	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	3:4:3:2:	4:4:2:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:O-2:	C[5,5]-4:C[5]-4:O[5]-2:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]C)(C[6a]C[6a]2)(OH)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a]O)(O[5]C[5])(COO)	C[6a](C[5]C[5,6a]C[5,5]O)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]C)(C[6a]C[6a]2)(OH){1|C<4>,4|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a]O)(O[5]C[5])(COO){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5,5]O)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,2|O<2>,4|C<3>}	113.5720	0.000	1	113.5720	0.000	1	113.4215	0.045	2	113.4215	0.045	2	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	3:4:4:1:	4:3:3:3:	3:4:3:	C[6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:C[5]-3:C[5]-3:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5](C[6a]C[6a,6a]C[6a])(C[5,5]C[5]3)(C[5]C[5]HH)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]N[5]C)(C[5]N[5]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5,5]C[5]3)(C[5]C[5]HH)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|O<1>,4|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]N[5]C)(C[5]N[5]O){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H){4|H<1>,7|C<3>}	114.1940	0.000	1	114.1940	0.000	1	114.1940	0.000	1	114.1940	0.000	1	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	3:4:4:1:	4:3:4:1:	3:4:3:	C[6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5](C[6a]C[6a,6a]C[6a])(C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(H)	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,5|H<1>,6|C<3>}	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H){1|N<3>,3|C<4>,3|H<1>,4|C<3>}	115.5980	0.000	1	115.5980	0.000	1	115.5980	0.000	1	115.5980	0.000	1	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	3:4:4:1:	4:4:4:3:	3:4:3:	C[6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5](C[6a]C[6a,6a]C[6a])(C[5,5]C[5,5]C[5]2)(C[5]N[5]CH)(H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5]HH)(C[5]C[5]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5,5]C[5,5]C[5]2)(C[5]N[5]CH)(H){1|N<3>,1|O<1>,4|H<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5]HH)(C[5]C[5]O){1|N<3>,2|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H){1|N<3>,3|C<4>,3|H<1>,4|C<3>}	116.9860	0.000	1	116.9860	0.000	1	116.9860	0.000	1	116.9860	0.000	1	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:2:1:	3:3:4:4:	4:3:3:	C[5,5]-4:C[6a]-3:N[5]-2:H-1:	C[5,6a]-3:C[5,6a]-3:Ge[5]-4:C[5]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]2Ge[5])(C[6a]C[6a]2)(N[5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(Ge[5]C[6a]2C[5])(C[5]C[6a]N[5]H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]2Ge[5])(C[6a]C[6a]2)(N[5]C[5])(H){3|H<1>,9|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(Ge[5]C[6a]2C[5])(C[5]C[6a]N[5]H){11|C<3>,3|H<1>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{1|Ge<4>,1|C<4>,2|H<1>,3|C<3>}	112.9680	0.000	2	112.9680	0.000	2	112.9680	0.000	2	112.9680	0.000	2	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:2:1:	3:4:4:1:	4:3:3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[5,5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	119.4270	0.000	1	119.4270	0.000	1	119.4270	0.000	1	119.4270	0.000	1	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:2:1:	3:4:4:3:	4:3:3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(C[5]C[5]HH)(C[5]N[5]N)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(O[5]C[5])(H){1|N<2>,1|N<3>,4|C<3>,6|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(C[5]C[5]HH)(C[5]N[5]N){4|C<3>,4|H<1>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	116.8280	0.000	1	116.8280	0.000	1	115.8915	1.754	2	115.8915	1.754	2	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:2:1:	3:4:4:3:	4:3:3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(C[5]C[5]HH)(C[5]O[5]N)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(O[5]C[5])(H){1|N<2>,1|O<2>,5|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(C[5]C[5]HH)(C[5]O[5]N){2|H<1>,5|C<3>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	114.9550	0.000	1	114.9550	0.000	1	115.8915	1.754	2	115.8915	1.754	2	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:2:1:	3:4:4:4:	4:3:3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	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)(O[5]C[5])(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)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(O[5]C[5])(H){1|N<3>,3|H<1>,6|C<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){1|C<4>,1|H<1>,6|C<3>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|H<1>,3|C<4>}	117.7000	0.000	1	117.7000	0.000	1	117.7000	0.000	1	117.7000	0.000	1	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:2:1:	4:3:3:3:	4:3:3:	C[5,5]-4:C[6a]-3:N[5]-2:H-1:	C[5]-4:C[5]-3:C[5]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5])(H)	C[5,5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(C[5]C[5]C)(C[5]O[5]O)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5])(H){1|H<1>,1|N<2>,1|O<1>,2|O<2>,5|C<3>}	C[5,5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(C[5]C[5]C)(C[5]O[5]O){5|C<3>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,5|C<3>}	115.8210	0.000	1	115.8210	0.000	1	115.8210	0.000	1	115.2065	0.755	2	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:2:1:	4:3:3:3:	4:3:3:	C[5,5]-4:C[6a]-3:N[5]-2:H-1:	C[5]-4:C[5]-3:C[5]-3:N[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]C[5])(H)	C[5,5](C[5]C[6a]N[5]H)(C[5]C[5,6a]O)2(N[5]C[5]C)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]C[5])(H){1|Cl<1>,1|C<4>,1|H<1>,2|O<1>,5|C<3>}	C[5,5](C[5]C[6a]N[5]H)(C[5]C[5,6a]O)2(N[5]C[5]C){5|C<3>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	114.5920	0.000	1	114.5920	0.000	1	114.5920	0.000	1	115.2065	0.755	2	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:2:1:	4:3:4:1:	4:3:3:	C[5,5]-4:C[6a]-3:N[5]-2:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5])(H)	C[5,5](C[5]C[6a]N[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5])(H){2|C<4>,3|C<3>,4|H<1>}	C[5,5](C[5]C[6a]N[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H){2|H<1>,5|C<3>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	113.5265	0.531	2	113.5265	0.282	2	113.5265	0.282	2	115.5772	3.868	5	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:2:1:	4:3:4:1:	4:3:3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5,5]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]N[5])(H)	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]N[5])(C[5]O[5]CH)(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]N[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]N[5])(C[5]O[5]CH)(H){1|O<1>,2|C<3>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	116.9520	1.083	2	116.9520	1.174	2	116.9443	0.587	3	115.5772	3.868	5	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:2:1:	4:3:4:1:	4:3:3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5,5]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]N[5])(H)	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]N[5])(C[5]O[5]HH)(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]N[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]N[5])(C[5]O[5]HH)(H){1|O<1>,2|C<3>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	116.9290	0.000	1	116.9290	0.000	1	116.9443	0.587	3	115.5772	3.868	5	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:2:1:	4:3:4:4:	4:3:3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:N[5]-3:C[5]-4:C[5]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(O[5]N[5])(H)	C[5,5](C[5]C[6a]O[5]H)(N[5]C[6a]O[5])(C[5]C[5]HH)(C[5]N[5]HH)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(O[5]N[5])(H){1|C<4>,1|O<2>,4|C<3>,6|H<1>}	C[5,5](C[5]C[6a]O[5]H)(N[5]C[6a]O[5])(C[5]C[5]HH)(C[5]N[5]HH){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>,2|N<3>}	117.8810	0.000	1	117.8810	0.000	1	117.8810	0.000	1	117.8810	0.000	1	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:2:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	117.8180	0.000	2	117.8180	0.000	2	117.4286	1.294	9	117.4286	1.294	9	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:2:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]O)(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]O)(H){3|C<3>,3|H<1>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	117.9500	0.955	2	117.5030	1.055	3	117.4286	1.294	9	117.4286	1.294	9	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:2:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]O)(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]O)(H){3|C<3>,3|H<1>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	116.6090	0.000	1	117.5030	1.055	3	117.4286	1.294	9	117.4286	1.294	9	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:2:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]O)(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]O)(H){3|C<3>,3|H<1>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	118.8310	0.000	1	117.1780	2.557	4	117.4286	1.294	9	117.4286	1.294	9	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:2:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]O)(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]O)(H){1|C<4>,1|O<1>,3|C<3>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	117.5540	0.000	1	117.1780	2.557	4	117.4286	1.294	9	117.4286	1.294	9	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:2:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]O)(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,2|O<1>,3|H<1>}	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]O)(H){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	116.1635	1.655	2	117.1780	2.557	4	117.4286	1.294	9	117.4286	1.294	9	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:2:1:	4:4:3:3:	4:3:3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[3x5]-4:C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[3x5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[3x5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5,5])(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]O[5]O){1|N<3>,5|H<1>,6|C<3>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	117.0130	0.000	1	117.0130	0.000	1	117.0130	0.000	1	117.2685	0.948	4	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:2:1:	4:4:3:3:	4:3:3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5,5]-4:C[5]-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]O)(COO)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]O)(COO){3|C<3>,3|H<1>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	117.7450	1.356	2	117.7450	1.839	2	117.7450	1.839	2	117.2685	0.948	4	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:2:1:	4:4:3:3:	4:3:3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(C[5]N[5]C)(C[5]N[5]O)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(O[5]C[5])(H){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5,5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(C[5]N[5]C)(C[5]N[5]O){2|H<1>,3|C<3>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	116.5710	0.000	1	116.5710	0.000	1	116.5710	0.000	1	117.2685	0.948	4	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:2:1:	4:4:3:4:	4:3:3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:N[5]-3:C[5]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(O[5]N[5])(H)	C[5,5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(N[5]C[6a]O[5])(C[5]C[5]HH)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(O[5]N[5])(H){1|C<4>,1|O<2>,5|C<3>,5|H<1>}	C[5,5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(N[5]C[6a]O[5])(C[5]C[5]HH){1|H<1>,8|C<3>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>,2|N<3>}	115.3160	0.000	1	115.3160	0.000	1	115.3160	0.000	1	115.3160	0.000	1	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:2:1:	4:4:4:1:	4:3:3:	C[5,5]-4:C[6a]-3:N[5]-2:H-1:	C[5]-4:C[5]-4:C[5,5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5])(H)	C[5,5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(C[5,5]C[5]2C)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5])(H){1|O<2>,3|H<1>,6|C<3>}	C[5,5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(C[5,5]C[5]2C)(H){1|O<1>,5|C<3>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	115.6710	0.000	1	115.6710	0.000	1	115.6710	0.000	1	115.5205	1.909	43	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:2:1:	4:4:4:1:	4:3:3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5,6]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,5](C[5,5,6]C[5,6]C[5]O[6])(C[5]C[6a]O[5]H)(C[5]O[5]HH)(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5,6]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,2|C<3>,2|O<2>,6|H<1>}	C[5,5](C[5,5,6]C[5,6]C[5]O[6])(C[5]C[6a]O[5]H)(C[5]O[5]HH)(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	115.6140	1.360	2	115.6140	1.851	2	115.6140	1.851	2	115.5205	1.909	43	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:2:1:	4:4:4:1:	4:3:3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]N[5]C)(C[5]C[6a]O[5]H)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5,5](C[5,5]C[5]N[5]C)(C[5]C[6a]O[5]H)(C[5]C[5]HH)(H){1|H<1>,2|C<3>,2|O<1>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	114.6920	0.000	1	114.6920	0.000	1	114.6920	0.000	1	115.5205	1.909	43	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:2:1:	4:4:4:1:	4:3:3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2C)(C[5]O[5]HH)(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<2>,5|C<3>,5|H<1>}	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2C)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	117.0975	0.326	2	117.0975	0.106	2	115.6019	1.993	35	115.5205	1.909	43	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:2:1:	4:4:4:1:	4:3:3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]CH)(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]CH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	115.9940	0.000	1	115.9940	0.000	1	115.6019	1.993	35	115.5205	1.909	43	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:2:1:	4:4:4:1:	4:3:3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	115.7025	1.771	2	116.1279	1.177	7	115.6019	1.993	35	115.5205	1.909	43	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:2:1:	4:4:4:1:	4:3:3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H){3|C<3>,3|H<1>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	116.5430	0.859	4	116.1279	1.177	7	115.6019	1.993	35	115.5205	1.909	43	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:2:1:	4:4:4:1:	4:3:3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<2>,3|C<3>,7|H<1>}	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	115.3180	0.000	1	116.1279	1.177	7	115.6019	1.993	35	115.5205	1.909	43	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:2:1:	4:4:4:1:	4:3:3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[5,6a]O)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,2|C<3>,2|O<2>,6|H<1>}	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H){3|C<3>,3|H<1>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[5,6a]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	114.4310	0.716	2	114.4310	0.512	2	115.6019	1.993	35	115.5205	1.909	43	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:2:1:	4:4:4:1:	4:3:3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	114.2040	0.000	1	115.3965	2.264	23	115.6019	1.993	35	115.5205	1.909	43	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:2:1:	4:4:4:1:	4:3:3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H){3|C<3>,3|H<1>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|H<1>,2|O<2>,3|C<4>}	114.8780	0.000	1	115.3965	2.264	23	115.6019	1.993	35	115.5205	1.909	43	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:2:1:	4:4:4:1:	4:3:3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H){3|C<3>,3|H<1>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	115.6288	1.455	19	115.3965	2.264	23	115.6019	1.993	35	115.5205	1.909	43	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:2:1:	4:4:4:1:	4:3:3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,1|O<2>,3|C<3>,5|H<1>}	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H){2|C<3>,2|O<1>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	112.4140	0.000	1	115.3965	2.264	23	115.6019	1.993	35	115.5205	1.909	43	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:2:1:	4:4:4:1:	4:3:3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<2>,4|C<3>,6|H<1>}	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	115.6770	0.000	1	115.3965	2.264	23	115.6019	1.993	35	115.5205	1.909	43	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:2:1:	4:4:4:1:	4:3:3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C[5,5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(C[5,5]C[5]2C)(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|N<2>,1|O<1>,3|H<1>,5|C<3>}	C[5,5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(C[5,5]C[5]2C)(H){1|O<1>,5|C<3>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	113.4640	0.000	1	113.5180	0.006	2	114.9315	2.737	4	115.5205	1.909	43	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:2:1:	4:4:4:1:	4:3:3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C[5,5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(C[5,5]C[5]2C)(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5,5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(C[5,5]C[5]2C)(H){1|C<4>,1|N<2>,1|O<1>,4|C<3>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	113.5720	0.000	1	113.5180	0.006	2	114.9315	2.737	4	115.5205	1.909	43	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:2:1:	4:4:4:1:	4:3:3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C[5,5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,5](C[5]C[6a]O[5]H)2(C[5,5]C[5]2H)(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|Br<1>,1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[5,5](C[5]C[6a]O[5]H)2(C[5,5]C[5]2H)(H){4|C<3>,4|H<1>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	116.6710	0.000	1	116.6710	0.000	1	114.9315	2.737	4	115.5205	1.909	43	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:2:1:	4:4:4:1:	4:3:3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C[5,5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,5](C[5]C[6a]O[5]H)2(C[5,5]C[5]2H)(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	C[5,5](C[5]C[6a]O[5]H)2(C[5,5]C[5]2H)(H){4|C<3>,4|H<1>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	116.0190	0.000	1	116.0190	0.000	1	114.9315	2.737	4	115.5205	1.909	43	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:2:1:	4:4:4:3:	4:3:3:	C[5,5]-4:C[6a]-3:N[5]-2:H-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5])(H)	C[5,5](C[5]C[6a]N[5]H)(C[5]C[5]HH)2(C[5]O[5]O)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,6|H<1>}	C[5,5](C[5]C[6a]N[5]H)(C[5]C[5]HH)2(C[5]O[5]O){2|H<1>,3|C<3>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	115.0890	0.000	1	115.0890	0.000	1	115.0890	0.000	1	115.9623	3.094	3	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:2:1:	4:4:4:3:	4:3:3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[3x5]-4:C[5]-4:C[5]-4:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[3x5]C[5]C)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[5,5](C[3x5]C[5,5]C[5]N[5])(C[5]C[6a]O[5]H)(C[5]C[5]HH)(COO)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[3x5]C[5]C)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|C<4>,1|N<3>,1|O<2>,4|C<3>,4|H<1>}	C[5,5](C[3x5]C[5,5]C[5]N[5])(C[5]C[6a]O[5]H)(C[5]C[5]HH)(COO){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|H<1>,3|C<4>}	114.8110	0.000	1	114.8110	0.000	1	114.8110	0.000	1	115.9623	3.094	3	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:2:1:	4:4:4:3:	4:3:3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(O[5]N[5])(H)	C[5,5](C[5,5]C[5,5a]N[5]H)(C[5]C[6a]O[5]H)(C[5]N[5,5a]HH)(COO)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|N<3>,4|C<3>,5|H<1>}	C[5,5](C[5,5]C[5,5a]N[5]H)(C[5]C[6a]O[5]H)(C[5]N[5,5a]HH)(COO){5|C<3>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	117.9870	0.000	1	117.9870	0.000	1	117.9870	0.000	1	115.9623	3.094	3	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:2:2:	3:4:4:1:	4:3:3:	C[5,5]-4:C[6a]-3:O[5]-2:O-2:	C[5,6a]-3:C[3x5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[3x5]H)(C[6a]C[6a]2)(O[5]C[5,5])(OC)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2C)(C[5]C[6a]O[5]O)(H)	C[6a](C[5]C[5,5]O[5]O)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[3x5]H)(C[6a]C[6a]2)(O[5]C[5,5])(OC){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2C)(C[5]C[6a]O[5]O)(H){1|H<1>,2|O<2>,6|C<3>}	C[6a](C[5]C[5,5]O[5]O)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	116.4460	0.000	1	116.4460	0.000	1	116.4460	0.000	1	116.4460	0.000	1	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:2:3:	3:4:3:3:	4:3:3:	C[5,5]-4:C[6a]-3:N[5]-2:C-3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5])(COO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(C[5]N[5]O)(N[5]C[5]C)	C[6a](C[5]C[5,5]N[5]C)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5])(COO){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,5]N[5]C)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	115.1330	0.000	1	115.1330	0.000	1	115.1330	0.000	1	114.1783	0.803	3	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:2:3:	3:4:3:3:	4:3:3:	C[5,5]-4:C[6a]-3:O[5]-2:C-3:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(O[5]C[5])(CCC)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]C)(C[5]C[5]C)(C[5]N[5]O)	C[6a](C[5]C[5,5]O[5]C)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(O[5]C[5])(CCC){1|C<2>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]C)(C[5]C[5]C)(C[5]N[5]O){2|H<1>,5|C<3>}	C[6a](C[5]C[5,5]O[5]C)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	113.7010	0.489	2	113.7010	0.239	2	113.7010	0.239	2	114.1783	0.803	3	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:2:3:	3:4:4:3:	4:3:3:	C[5,5]-4:C[6a]-3:N[5]-2:C-3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5])(COO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(C[5]C[5]CC)(C[5]N[5]O)	C[6a](C[5]C[5,5]N[5]C)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5])(COO){1|N<3>,1|O<1>,2|C<2>,3|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(C[5]C[5]CC)(C[5]N[5]O){1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5]C[5,5]N[5]C)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	115.2570	0.000	1	115.2570	0.000	1	115.2570	0.000	1	115.2570	0.000	1	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:2:3:	4:3:3:3:	4:3:3:	C[5,5]-4:C[6a]-3:N[5]-2:C-3:	C[5]-4:N[5,5]-3:C[6a]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5])(COO)	C[5,5](C[5]C[6a]N[5]C)(N[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]O)	C[6a](C[5]C[5,5]N[5]C)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5])(COO){1|N<3>,1|O<1>,1|S<4>,3|H<1>,4|C<3>}	C[5,5](C[5]C[6a]N[5]C)(N[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]O){1|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,5]N[5]C)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	114.5040	0.000	1	114.5040	0.000	1	114.5040	0.000	1	114.5040	0.000	1	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:2:3:	4:3:4:1:	4:3:3:	C[5,5]-4:C[6a]-3:N[5]-2:C-3:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5])(COO)	C[5,5](C[5]C[6a]N[5]C)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5]N[5]C)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5])(COO){2|C<3>,2|C<4>,5|H<1>}	C[5,5](C[5]C[6a]N[5]C)(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5]C[5,5]N[5]C)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	112.9050	0.000	1	112.9050	0.000	1	112.9050	0.000	1	112.9050	0.000	1	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	3:3:4:2:	4:3:3:	C[5,5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:S[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]2S[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]N[5]H)(S[5]C[5])	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]2S[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){10|C<3>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]N[5]H)(S[5]C[5]){2|H<1>,9|C<3>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|S<2>,2|H<1>,4|C<3>}	113.3110	0.000	1	113.3110	0.000	1	113.3110	0.000	1	113.3110	0.000	1	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	3:3:4:3:	4:3:3:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C)(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5]H)(N[5]S[5]H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C)(C[6a]C[6a]2)(H){1|S<4>,3|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5]H)(N[5]S[5]H){2|H<1>,2|O<1>,7|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<3>,5|C<3>}	115.2450	0.000	1	113.6975	4.790	2	113.6975	4.790	2	113.6975	4.790	2	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	3:3:4:3:	4:3:3:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C)(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5]H)(N[5]S[5]H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C)(C[6a]C[6a]2)(H){1|S<4>,3|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5]H)(N[5]S[5]H){2|H<1>,2|O<1>,7|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,5|C<3>}	112.1500	0.000	1	113.6975	4.790	2	113.6975	4.790	2	113.6975	4.790	2	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	3:4:2:3:	4:3:3:	C[5,5]-4:C[5,6]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:O[5]-2:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a]H)(O[5]C[5,6])(C[5]N[5]O)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a]H)(O[5]C[5,6])(C[5]N[5]O){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,5|C<3>}	114.8705	0.735	2	114.8705	0.540	2	114.8705	0.540	2	116.2530	6.004	3	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	3:4:2:3:	4:3:3:	C[5,5]-4:N[5,5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:O[5]-2:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5,5]C[6a]H)(O[5]C[5,5])(C[5]N[5]O)	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5,5]C[6a]H)(O[5]C[5,5])(C[5]N[5]O){2|H<1>,3|C<4>,4|C<3>}	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	119.0180	0.000	1	119.0180	0.000	1	119.0180	0.000	1	116.2530	6.004	3	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	3:4:3:2:	4:3:3:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]N[5])	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|Br<1>,1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]N[5]){1|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<2>,1|O<2>,2|H<1>,4|C<3>}	114.1640	0.000	1	114.1640	0.000	1	114.1640	0.000	1	115.2612	2.764	12	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	3:4:3:2:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,5]-3:C[5]-4:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]O)(H)	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]O)(H){1|O<2>,2|H<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6a]){1|O<1>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|H<1>,4|C<3>}	116.0290	0.000	2	117.0587	3.181	3	117.0587	3.181	3	115.2612	2.764	12	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	3:4:3:2:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,5]-3:C[5]-4:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]O)(H)	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]O)(H){3|H<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6a]){1|O<1>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|H<1>,4|C<3>}	119.1180	0.000	1	117.0587	3.181	3	117.0587	3.181	3	115.2612	2.764	12	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	3:4:3:2:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	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]C)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]C[5])	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|Br<1>,1|H<1>,1|O<1>,2|N<3>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]C[5]){1|C<2>,1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<2>,1|O<2>,2|H<1>,4|C<3>}	114.6930	0.000	1	114.6930	0.000	1	114.6289	1.722	7	115.2612	2.764	12	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	3:4:3:2:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	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]C)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]C[5])	C[6a](C[5]C[5,5]C[5]H)(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]C)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,5|C<3>}	112.6090	0.000	1	113.6430	2.138	2	114.6289	1.722	7	115.2612	2.764	12	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	3:4:3:2:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	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]C)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]C[5])	C[6a](C[5]C[5,5]C[5]H)(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]C)(H){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,5|C<3>}	114.6770	0.000	1	113.6430	2.138	2	114.6289	1.722	7	115.2612	2.764	12	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	3:4:3:2:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	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]N[5]C)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]N[5])	C[6a](C[5]C[5,5]C[5]H)(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]N[5]C)(H){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]N[5]){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|H<1>,4|C<3>}	114.2145	1.470	2	114.2145	2.161	2	114.6289	1.722	7	115.2612	2.764	12	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	3:4:3:2:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	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]N[5]H)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(O[5]N[5])	C[6a](C[5]C[5,5]C[5]H)(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]N[5]H)(H){1|N<2>,2|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(O[5]N[5]){2|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<2>,1|O<2>,3|C<3>,3|H<1>}	115.9970	0.000	2	115.9970	0.000	2	114.6289	1.722	7	115.2612	2.764	12	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	3:4:3:2:	4:3:3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]N[5]O)(N[5]C[5])	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5]S)(H){1|N<3>,1|O<1>,1|S<1>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]N[5]O)(N[5]C[5]){1|C<4>,1|H<1>,1|S<1>,1|S<4>,4|C<3>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,1|S<4>,2|H<1>,4|C<3>}	115.3920	0.000	1	115.3920	0.000	1	115.3920	0.000	1	115.2612	2.764	12	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	3:4:3:3:	4:3:3:	C[5,5]-4:C[5,5a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:N[5]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,5a]C[5,5a]O[5a])(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5a]C[6a]H)(N[5]C[5,5a]S)(C[5]N[5]O)	C[6a](C[5]C[5,5a]C[5,5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,5a]C[5,5a]O[5a])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|S<4>,2|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5a]C[6a]H)(N[5]C[5,5a]S)(C[5]N[5]O){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,5a]C[5,5]H)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|H<1>,4|C<3>}	115.3120	0.000	1	115.3120	0.000	1	115.3120	0.000	1	114.3735	2.535	11	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	3:4:3:3:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:N[5,5]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]N[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(N[5,5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]N[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){3|H<1>,9|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(N[5,5]C[5,6a]C[5])(C[6a]C[6a]2){1|O<1>,3|H<1>,8|C<3>}	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,5|C<3>}	112.6350	0.000	1	112.6350	0.000	1	112.6350	0.000	1	114.3735	2.535	11	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	3:4:3:3:	4:3:3:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:N[5]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[5]N[5]O)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[5]N[5]O){1|H<1>,8|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,4|C<3>}	113.4057	0.973	3	113.4057	0.947	3	113.4057	0.947	3	114.3735	2.535	11	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	3:4:3:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]N[5]P)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]N[5]H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]N[5]P)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]N[5]H){1|P<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,1|P<4>,2|H<1>,3|C<3>}	113.3470	1.054	2	113.3470	1.110	2	113.3470	1.110	2	114.3735	2.535	11	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	3:4:3:3:	4:3:3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5]N)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]N[5]O)(N[5]C[5]H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5]N)(H){1|N<3>,1|O<1>,1|S<1>,3|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|H<1>,1|N<3>,1|S<1>,4|C<3>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,4|C<3>}	116.1370	0.000	1	116.1370	0.000	1	116.1370	0.000	1	114.3735	2.535	11	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	3:4:3:3:	4:3:3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:N[5]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(N[5]C[5,5]C)(C[5]N[5]O)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5,5]H)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(N[5]C[5,5]C)(C[5]N[5]O){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	116.3630	1.580	2	116.3630	2.495	2	115.7043	2.549	3	114.3735	2.535	11	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	3:4:3:3:	4:3:3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:N[5]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[5]N[5]O)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5]S)(H){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[5]N[5]O){1|C<4>,1|S<4>,2|H<1>,7|C<3>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|S<4>,2|H<1>,3|C<3>}	114.3870	0.000	1	114.3870	0.000	1	115.7043	2.549	3	114.3735	2.535	11	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	3:4:4:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,3|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a]H)(H){2|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	111.5550	1.664	5	112.9700	6.041	10	113.1135	5.663	11	113.5726	5.771	14	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	3:4:4:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a]H)(H){2|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	113.8280	0.000	1	112.9700	6.041	10	113.1135	5.663	11	113.5726	5.771	14	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	3:4:4:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a]H)(H){2|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	114.5242	2.761	4	112.9700	6.041	10	113.1135	5.663	11	113.5726	5.771	14	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	3:4:4:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]C[6a]H)(H)	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){1|C<4>,2|H<1>,2|O<2>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]C[6a]H)(H){1|H<1>,1|O<2>,7|C<3>}	C[6a](C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	114.5490	0.000	1	114.5490	0.000	1	113.1135	5.663	11	113.5726	5.771	14	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	3:4:4:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]N)(C[5]C[6a]C[5]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]N)(C[5]C[6a]C[5]H)(H){2|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	113.8860	0.000	1	113.8860	0.000	1	113.8860	0.000	1	113.5726	5.771	14	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	3:4:4:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5,5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]C)(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)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,1|O<1>,3|H<1>,4|C<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)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	117.4840	0.000	1	117.4840	0.000	1	117.4840	0.000	1	113.5726	5.771	14	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	3:4:4:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|O<1>,4|C<3>,4|H<1>}	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(H){1|O<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	114.3980	0.000	1	114.3980	0.000	1	114.3980	0.000	1	113.5726	5.771	14	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	3:4:4:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(C[5]N[5]O)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(C[5]N[5]O){1|N<3>,1|O<1>,2|H<1>,8|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	114.5990	0.000	1	114.5990	0.000	1	114.5990	0.000	1	114.8255	2.085	33	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	3:4:4:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]CC)(C[5]N[5]O)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<2>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]CC)(C[5]N[5]O){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	113.8810	0.000	1	113.4080	0.447	2	114.6363	2.802	10	114.8255	2.085	33	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	3:4:4:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]CC)(C[5]N[5]O)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|N<3>,1|O<1>,2|C<2>,3|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]CC)(C[5]N[5]O){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	112.9350	0.000	1	113.4080	0.447	2	114.6363	2.802	10	114.8255	2.085	33	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	3:4:4:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]CH)(C[5]N[5]O)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,1|F<1>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]CH)(C[5]N[5]O){2|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,5|C<3>}	114.0585	1.480	2	114.0585	2.190	2	114.6363	2.802	10	114.8255	2.085	33	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	3:4:4:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	113.0110	0.000	1	113.0110	0.000	1	114.6363	2.802	10	114.8255	2.085	33	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	3:4:4:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]O[5]O)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|F<1>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]O[5]O){2|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	113.6510	0.000	1	113.6510	0.000	1	114.6363	2.802	10	114.8255	2.085	33	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	3:4:4:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)2(C[5]N[5]O)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)2(C[5]N[5]O){2|H<1>,8|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	114.3200	0.000	1	114.3200	0.000	1	114.6363	2.802	10	114.8255	2.085	33	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	3:4:4:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]H)(H){1|Br<1>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	117.2090	0.008	2	117.2090	0.000	2	114.6363	2.802	10	114.8255	2.085	33	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	3:4:4:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)2(C[5]N[5]O)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]H)(H){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)2(C[5]N[5]O){2|H<1>,8|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	116.0300	0.000	1	116.0300	0.000	1	114.6363	2.802	10	114.8255	2.085	33	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	3:4:4:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:N[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]O)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(N[5]C[5]C)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]O)(H){1|C<4>,5|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(N[5]C[5]C){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	115.2640	0.000	1	115.2640	0.000	1	115.2640	0.000	1	114.8255	2.085	33	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	3:4:4:3:	4:3:3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5,5]CH)(C[5]N[5]O)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5,5]CH)(C[5]N[5]O){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	118.4450	0.000	1	116.5730	3.088	3	114.8837	2.143	13	114.8255	2.085	33	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	3:4:4:3:	4:3:3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5,5]CH)(C[5]N[5]O)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5,5]CH)(C[5]N[5]O){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	116.3150	0.000	1	116.5730	3.088	3	114.8837	2.143	13	114.8255	2.085	33	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	3:4:4:3:	4:3:3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5,5]CH)(C[5]N[5]O)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5,5]CH)(C[5]N[5]O){3|H<1>,6|C<3>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	114.9590	0.000	1	116.5730	3.088	3	114.8837	2.143	13	114.8255	2.085	33	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	3:4:4:3:	4:3:3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]HH)(C[5]N[5]O)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|N<3>,1|O<1>,5|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]HH)(C[5]N[5]O){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{2|H<1>,3|C<3>,3|C<4>}	115.0470	0.000	1	114.9445	0.021	2	114.8837	2.143	13	114.8255	2.085	33	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	3:4:4:3:	4:3:3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]HH)(C[5]N[5]O)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|N<3>,2|O<1>,4|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	114.8420	0.000	1	114.9445	0.021	2	114.8837	2.143	13	114.8255	2.085	33	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	3:4:4:3:	4:3:3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[5]N[5]O)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|N<3>,1|O<1>,4|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[5]N[5]O){1|C<4>,3|H<1>,7|C<3>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	115.6120	0.000	1	114.2253	1.446	3	114.8837	2.143	13	114.8255	2.085	33	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	3:4:4:3:	4:3:3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[5]N[5]O)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|N<3>,1|O<1>,4|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[5]N[5]O){4|H<1>,7|C<3>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	113.5320	0.086	2	114.2253	1.446	3	114.8837	2.143	13	114.8255	2.085	33	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	3:4:4:3:	4:3:3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]CH)(C[5]N[5]O)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]CH)(C[5]N[5]O){2|H<1>,7|C<3>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<4>,3|C<3>,3|H<1>}	114.4330	0.000	1	114.4330	0.000	1	114.8837	2.143	13	114.8255	2.085	33	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	3:4:4:3:	4:3:3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]CH)(C[5]N[5]O)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]CH)(C[5]N[5]O){4|H<1>,5|C<3>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{1|Cl<1>,2|C<4>,2|H<1>,3|C<3>}	115.9540	0.000	1	115.9540	0.000	1	114.8837	2.143	13	114.8255	2.085	33	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	3:4:4:3:	4:3:3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]HS)(C[5]N[5]O)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|N<3>,1|S<2>,2|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]HS)(C[5]N[5]O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	114.1870	0.000	1	114.1870	0.000	1	114.8837	2.143	13	114.8255	2.085	33	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	3:4:4:3:	4:3:3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]CH)(C[5]N[5]H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|N<2>,5|C<3>,6|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]CH)(C[5]N[5]H){1|S<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{1|S<4>,2|C<4>,2|H<1>,3|C<3>}	113.3150	0.021	2	113.3150	0.000	2	114.8837	2.143	13	114.8255	2.085	33	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	3:4:4:3:	4:3:3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:N[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]HH)(N[5]C[5]C)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5]C)(H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]HH)(N[5]C[5]C){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,2|C<4>,3|C<3>}	115.8990	0.000	1	115.8990	0.000	1	115.8990	0.000	1	114.8255	2.085	33	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	3:4:4:3:	4:3:3:	C[5,5]-4:N[5,5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5,5]C[6a]H)(C[5]C[5,5]CH)(C[5]N[5]O)	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,6|C<3>,6|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5,5]C[6a]H)(C[5]C[5,5]CH)(C[5]N[5]O){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2{2|H<1>,3|C<3>,3|C<4>}	115.4670	0.000	1	115.4670	0.000	1	115.6297	2.388	3	114.8255	2.085	33	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	3:4:4:3:	4:3:3:	C[5,5]-4:N[5,5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5,5]C[6a]H)(C[5]N[5,5]CH)(C[5]N[5]O)	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,5|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5,5]C[6a]H)(C[5]N[5,5]CH)(C[5]N[5]O){1|C<4>,1|H<1>,6|C<3>}	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2{1|Br<1>,1|H<1>,1|N<3>,2|C<4>,3|C<3>}	114.1720	0.000	1	115.7110	4.737	2	115.6297	2.388	3	114.8255	2.085	33	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	3:4:4:3:	4:3:3:	C[5,5]-4:N[5,5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5,5]C[6a]H)(C[5]N[5,5]CH)(C[5]N[5]O)	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,5|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5,5]C[6a]H)(C[5]N[5,5]CH)(C[5]N[5]O){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	117.2500	0.000	1	115.7110	4.737	2	115.6297	2.388	3	114.8255	2.085	33	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	3:4:4:3:	4:3:3:	C[5,5]-4:N[5,6]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)(C[5]N[5]O)	C[6a](C[5]C[5,5]N[5,6]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,2|O<1>,5|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)(C[5]N[5]O){3|H<1>,6|C<3>}	C[6a](C[5]C[5,5]N[5,6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	113.1890	0.000	1	113.1890	0.000	1	113.1890	0.000	1	114.8255	2.085	33	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	3:4:4:3:	4:3:3:	C[5,5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,5]C[6a])(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5,5]HH)(C[5]N[5]O)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,5]C[6a])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,4|H<1>,8|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5,5]HH)(C[5]N[5]O){1|C<4>,1|H<1>,7|C<3>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	113.6925	0.479	2	113.6925	0.229	2	114.5163	2.151	3	114.8255	2.085	33	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	3:4:4:3:	4:3:3:	C[5,5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]O[5]CH)(C[5]N[5]O)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]O[5]CH)(C[5]N[5]O){1|H<1>,6|C<3>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	116.1640	0.000	1	116.1640	0.000	1	114.5163	2.151	3	114.8255	2.085	33	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	3:4:4:4:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	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]C[5]H)(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)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]H)(H){1|N<3>,3|H<1>,5|C<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){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	115.9610	0.000	1	115.9610	0.000	1	115.9610	0.000	1	115.0766	0.311	5	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	3:4:4:4:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5,5]-4:C-4:	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]O)(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)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]I)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]N[5]O)(H){1|C<4>,1|I<1>,1|N<3>,2|H<1>,4|C<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){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]I){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	114.5160	0.000	1	114.5160	0.000	1	114.5160	0.000	1	115.0766	0.311	5	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	3:4:4:4:	4:3:3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	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)(N[5]C[5]S)(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)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(C[5]C[6a]N[5]H)(CH3){1|S<4>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,2|H<1>,3|C<4>}	114.7390	0.000	1	114.7390	0.000	1	114.8465	0.023	2	115.0766	0.311	5	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	3:4:4:4:	4:3:3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	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)(N[5]C[5]S)(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)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|N<3>,3|H<1>,6|C<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){1|C<4>,1|H<1>,1|S<4>,6|C<3>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,2|H<1>,3|C<4>}	114.9540	0.000	1	114.9540	0.000	1	114.8465	0.023	2	115.0766	0.311	5	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	3:4:4:4:	4:3:3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:S[5]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]S[5])(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(S[5]N[5]OO)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]S[5])(C[6a]C[6a]2)(N[5]C[5]H)(H){1|N<3>,2|O<1>,4|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(S[5]N[5]OO){1|C<4>,3|H<1>,7|C<3>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,2|C<4>,3|H<1>}	115.2130	0.000	1	115.2130	0.000	1	115.2130	0.000	1	115.0766	0.311	5	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	4:3:2:2:	4:3:3:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[5]-3:O[5]-2:S[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]O[5]S[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]N[5])(S[5]C[5])	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]O[5]S[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]N[5])(S[5]C[5]){1|C<4>,1|O<1>,3|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<2>,1|O<2>,1|S<2>,2|H<1>,3|C<3>}	117.1720	0.000	1	117.1720	0.000	1	117.1720	0.000	1	115.4540	1.745	4	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	4:3:2:2:	4:3:3:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[5]-3:S[5]-2:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]O[5]S[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(S[5]C[5,6a])(O[5]N[5])	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]O[5]S[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,6|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(S[5]C[5,6a])(O[5]N[5]){5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<2>,1|O<2>,1|S<2>,2|H<1>,3|C<3>}	114.8813	0.806	3	114.8813	0.649	3	114.8813	0.649	3	115.4540	1.745	4	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	4:3:2:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:O[5]-2:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]N[5]H)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]N[5]O)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]N[5]H)(H){2|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]N[5]O){2|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,3|C<3>,3|H<1>}	116.7573	1.128	3	116.7573	1.273	3	116.7573	1.273	3	116.7573	1.273	3	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	4:3:2:4:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:O[5]-2:C[5]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]HH)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|O<1>,4|C<3>,5|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]HH){1|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	116.3400	0.532	2	116.3400	0.283	2	115.8933	0.740	3	115.8933	0.740	3	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	4:3:2:4:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:O[5]-2:C[5]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]HH)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]H)(H){1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]HH){1|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	115.0000	0.000	1	115.0000	0.000	1	115.8933	0.740	3	115.8933	0.740	3	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	4:3:3:2:	4:3:3:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[5]-3:N[5]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(N[5]C[5,6a]H)(O[5]N[5])	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|O<1>,3|H<1>,6|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(N[5]C[5,6a]H)(O[5]N[5]){5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	116.2990	0.000	1	116.2990	0.000	1	116.2990	0.000	1	116.2990	0.000	1	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	4:3:3:3:	4:3:3:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:N[5]-3:C[5]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[5,5](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[5]C[5]H)(C[5]O[5]O)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[5,5](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[5]C[5]H)(C[5]O[5]O){6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,4|C<3>}	114.3310	0.000	1	114.3310	0.000	1	114.3310	0.000	1	115.4268	1.148	5	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	4:3:3:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C[5]-3:N[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]P)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2(N[5]N[5]H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]P)(H){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2(N[5]N[5]H){1|P<4>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,1|N<3>,1|P<4>,2|H<1>,3|C<3>}	114.6950	0.000	1	114.6950	0.000	1	114.6950	0.000	1	115.4268	1.148	5	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	4:3:3:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:N[5]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]Br)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(N[5]C[6a]N[5])(C[5]N[5]O)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]Br)(H){1|N<2>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(N[5]C[6a]N[5])(C[5]N[5]O){1|Br<1>,7|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|Br<1>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	116.1890	0.000	1	116.1890	0.000	1	116.0360	0.870	3	115.4268	1.148	5	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	4:3:3:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:N[5]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]Br)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(N[5]C[6a]N[5])(C[5]O[5]O)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]Br)(H){1|N<2>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(N[5]C[6a]N[5])(C[5]O[5]O){1|Br<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|Br<1>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	115.9595	1.306	2	115.9595	1.706	2	116.0360	0.870	3	115.4268	1.148	5	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	4:3:4:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]O)(H)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a,6a]C[6a])(C[5]C[6a]C[5]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]O)(H){1|C<4>,3|H<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a,6a]C[6a])(C[5]C[6a]C[5]H)(H){1|O<1>,2|C<4>,2|H<1>,7|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|O<1>,2|C<3>,2|C<4>,3|H<1>}	116.1390	1.106	2	116.1390	1.223	2	116.1390	1.223	2	114.9772	5.308	4	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	4:3:4:1:	4:3:3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(N[5]S[5]C)(H)	C[5,5](C[5]C[6a]N[5]H)(N[5,5]C[5]S[5])(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(N[5]S[5]C)(H){2|C<3>,2|C<4>,2|O<1>,4|H<1>}	C[5,5](C[5]C[6a]N[5]H)(N[5,5]C[5]S[5])(C[5]C[5]HH)(H){2|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|S<4>,2|C<3>,3|H<1>}	111.6590	0.000	1	111.6590	0.000	1	111.6590	0.000	1	114.9772	5.308	4	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	4:3:4:1:	4:3:3:	C[5,5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[5,5](C[5]C[6a]N[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,5|H<1>}	C[5,5](C[5]C[6a]N[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H){3|H<1>,5|C<3>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	115.9720	0.000	1	115.9720	0.000	1	115.9720	0.000	1	114.9772	5.308	4	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	4:3:4:2:	4:3:3:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[5]-4:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,5]O)(C[5]C[5]HH)(O[5]N[5])	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,5]O)(C[5]C[5]HH)(O[5]N[5]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	116.6260	2.171	2	117.9747	7.813	3	117.9747	7.813	3	117.9747	7.813	3	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	4:3:4:2:	4:3:3:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[5]-4:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,5]O)(C[5]C[5]HH)(O[5]N[5])	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,5]O)(C[5]C[5]HH)(O[5]N[5]){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	120.6720	0.000	1	117.9747	7.813	3	117.9747	7.813	3	117.9747	7.813	3	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	4:3:4:3:	4:3:3:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:N[5]-3:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[5,5](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[5]C[5,5]HH)(C[5]C[5,5]O)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,4|H<1>,5|C<3>}	C[5,5](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[5]C[5,5]HH)(C[5]C[5,5]O){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	114.5750	0.000	1	114.5750	0.000	1	113.8160	1.152	2	114.3702	0.815	4	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	4:3:4:3:	4:3:3:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:N[5]-3:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[5,5](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[5]C[5]HH)(C[5]O[5]O)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[5,5](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[5]C[5]HH)(C[5]O[5]O){2|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	113.0570	0.000	1	113.0570	0.000	1	113.8160	1.152	2	114.3702	0.815	4	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	4:3:4:3:	4:3:3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5,5]-3:C[5]-4:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2)(C[5]S[5]HH)(COO)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|S<2>,3|C<3>,6|H<1>}	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2)(C[5]S[5]HH)(COO){1|S<4>,2|C<3>,3|H<1>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{1|S<4>,2|C<4>,2|H<1>,3|C<3>}	114.9245	0.252	2	114.9245	0.064	2	114.9245	0.064	2	114.3702	0.815	4	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	4:3:4:4:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,5]2)(C[6a]C[6a]2)(C[5]C[5]O)(H)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[6a]C[5]H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5,5]2)(C[6a]C[6a]2)(C[5]C[5]O)(H){2|C<4>,4|H<1>,7|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[6a]C[5]H){11|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|O<1>,2|C<3>,2|H<1>,3|C<4>}	117.3130	0.385	2	117.3130	0.148	2	117.3130	0.148	2	117.8473	0.931	3	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	4:3:4:4:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:N[5]-3:C[5]-4:C[5]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]O)(H)	C[5,5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]O[5]CC)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]O)(H){1|O<2>,2|C<4>,4|C<3>,5|H<1>}	C[5,5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]O[5]CC){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	118.9160	0.000	1	118.9160	0.000	1	118.9160	0.000	1	117.8473	0.931	3	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	4:4:2:3:	4:3:3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:O[5]-2:N-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]O[5]N)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[6a]N[5]H)(O[5]C[5,6a])(NOO)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]O[5]N)(C[6a]C[6a]2)(N[5]C[5]H)(H){4|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[6a]N[5]H)(O[5]C[5,6a])(NOO){2|H<1>,5|C<3>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	115.5660	0.000	1	115.5660	0.000	1	115.5660	0.000	1	115.5660	0.000	1	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	4:4:2:4:	4:3:3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]O[5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]N[5]H)(O[5]C[5])(CH3)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]O[5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|O<2>,3|H<1>,4|C<3>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]N[5]H)(O[5]C[5])(CH3){1|O<1>,1|S<4>,3|C<3>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	114.2870	0.000	1	114.2870	0.000	1	114.2870	0.000	1	114.2870	0.000	1	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	4:4:3:1:	4:3:2:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-4:C[6a]-3:N[6a]-2:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]N[6a])(N[5]C[5]H)(H)	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]N[6a])(N[5]C[5]H)(H){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|N<2>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|C<4>,4|H<1>}	113.0650	2.746	2	113.0650	7.543	2	113.0650	7.543	2	113.0650	7.543	2	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[3x5,6]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[3x5,6]N[5]H)(C[5]C[5,5,6]O)(C[6a]C[6a]2)(H)	C[5,5](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[3x5,6]N[5]H)(C[5]C[5,5,6]O)(C[6a]C[6a]2)(H){3|C<3>,3|C<4>,4|H<1>}	C[5,5](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	117.1750	0.000	1	117.1750	0.000	1	117.1750	0.000	1	115.3702	1.632	28	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,5,6]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5,6]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[5,5](C[5,5,6]C[5,6]C[6]N[5])(C[5]C[6a]C[5]H)(C[5]N[5]O)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5,6]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,5,6]C[5,6]C[6]N[5])(C[5]C[6a]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	117.9680	0.000	1	117.9680	0.000	1	117.9680	0.000	1	115.3702	1.632	28	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)(H){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]H)(H){1|O<2>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	115.5990	0.000	1	115.5990	0.000	1	115.5990	0.000	1	115.3702	1.632	28	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]N[5]H)(C[6a]C[6a]2)(C[5]C[5]O)(H)	C[5,5](C[5,5]C[5,6a]C[5]C)(C[5]C[6a]C[5]H)(N[5]C[5,6a]C)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]N[5]H)(C[6a]C[6a]2)(C[5]C[5]O)(H){2|H<1>,4|C<3>,4|C<4>}	C[5,5](C[5,5]C[5,6a]C[5]C)(C[5]C[6a]C[5]H)(N[5]C[5,6a]C)(H){1|O<1>,2|C<4>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	116.2020	0.000	1	116.2020	0.000	1	116.2020	0.000	1	115.3702	1.632	28	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	112.6990	0.000	1	112.6990	0.000	1	112.6990	0.000	1	115.3702	1.632	28	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-4:N[5,5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]N[5]C)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(N[5,5]C[5]N[5])(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]N[5]C)(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(N[5,5]C[5]N[5])(H){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,2|C<4>,3|H<1>}	114.3860	0.000	1	114.3860	0.000	1	114.3860	0.000	1	115.3702	1.632	28	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]O[5]C)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]N[5]H)(C[5]N[5]O)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]O[5]C)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]N[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	115.9690	0.000	1	115.9690	0.000	1	115.9690	0.000	1	115.3702	1.632	28	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,4|C<3>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	114.6130	0.000	1	114.6130	0.000	1	115.7191	1.048	12	115.3702	1.632	28	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|H<1>,2|N<3>,4|C<3>}	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|O<1>,3|C<3>,3|C<4>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|C<4>,3|H<1>}	115.0250	0.000	1	115.0250	0.000	1	115.7191	1.048	12	115.3702	1.632	28	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]C[5]O)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]C[5]O)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	116.0810	0.942	2	116.0810	0.887	2	115.7191	1.048	12	115.3702	1.632	28	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	116.9270	0.000	1	116.9270	0.000	1	115.7191	1.048	12	115.3702	1.632	28	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|Cl<1>,1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	115.3040	0.000	1	115.3040	0.000	1	115.7191	1.048	12	115.3702	1.632	28	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	114.3810	0.000	1	115.7663	1.405	6	115.7191	1.048	12	115.3702	1.632	28	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	115.1050	0.000	2	115.7663	1.405	6	115.7191	1.048	12	115.3702	1.632	28	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	117.7210	0.000	1	115.7663	1.405	6	115.7191	1.048	12	115.3702	1.632	28	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	116.3960	0.000	1	115.7663	1.405	6	115.7191	1.048	12	115.3702	1.632	28	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	115.8900	0.000	1	115.7663	1.405	6	115.7191	1.048	12	115.3702	1.632	28	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	4:4:3:1:	4:3:3:	C[5,5]-4:N[5,5]-3:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[6a]H)(C[5]N[5]O)(H)	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H){1|F<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[6a]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]F)(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	115.2630	0.000	1	115.2630	0.000	1	114.8548	1.099	6	115.3702	1.632	28	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	4:4:3:1:	4:3:3:	C[5,5]-4:N[5,5]-3:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[6a]H)(C[5]N[5]O)(H)	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,6|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[6a]H)(C[5]N[5]O)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	116.6400	0.000	1	114.9990	2.244	3	114.8548	1.099	6	115.3702	1.632	28	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	4:4:3:1:	4:3:3:	C[5,5]-4:N[5,5]-3:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[6a]H)(C[5]N[5]O)(H)	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,6|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[6a]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2{1|F<1>,2|C<3>,2|H<1>,3|C<4>}	114.6520	0.000	1	114.9990	2.244	3	114.8548	1.099	6	115.3702	1.632	28	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	4:4:3:1:	4:3:3:	C[5,5]-4:N[5,5]-3:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[6a]H)(C[5]N[5]O)(H)	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,4|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[6a]H)(C[5]N[5]O)(H){1|O<1>,3|C<3>,3|C<4>}	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	113.7050	0.000	1	114.9990	2.244	3	114.8548	1.099	6	115.3702	1.632	28	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	4:4:3:1:	4:3:3:	C[5,5]-4:N[5,5]-3:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(H)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]N[5,5]C[6a]H)(C[5]C[5,5]O)(H)	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(H){1|O<1>,3|C<3>,3|C<4>,5|H<1>}	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]N[5,5]C[6a]H)(C[5]C[5,5]O)(H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	113.9740	0.000	1	113.9740	0.000	1	114.8548	1.099	6	115.3702	1.632	28	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	4:4:3:1:	4:3:3:	C[5,5]-4:N[5,5]-3:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(H)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]N[5,5]C[6a]H)(C[5]C[5]O)(H)	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]N[5,5]C[6a]H)(C[5]C[5]O)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	114.8950	0.000	1	114.8950	0.000	1	114.8548	1.099	6	115.3702	1.632	28	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	4:4:3:1:	4:3:3:	C[5,5]-4:N[5,6]-3:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]2)(C[6a]C[6a]2)(H)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]N[5,6]C[6a]H)(C[5]N[5]O)(H)	C[6a](C[5]C[5,5]N[5,6]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]2)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,3|C<4>,4|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]N[5,6]C[6a]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,4|C<3>}	C[6a](C[5]C[5,5]N[5,6]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	114.7430	0.000	1	114.7430	0.000	1	114.1555	0.690	2	115.3702	1.632	28	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	4:4:3:1:	4:3:3:	C[5,5]-4:N[5,6]-3:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]N[5,6]C[6a]H)(C[5]N[5]O)(H)	C[6a](C[5]C[5,5]N[5,6]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]N[5,6]C[6a]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,4|C<3>}	C[6a](C[5]C[5,5]N[5,6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	113.5680	0.000	1	113.5680	0.000	1	114.1555	0.690	2	115.3702	1.632	28	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	4:4:3:1:	4:3:3:	C[5,5]-4:N[5]-3:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5,5]C[6a])(C[6a]C[6a]2)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5]H)(C[5]N[5]O)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5,5]C[6a])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5]H)(C[5]N[5]O)(H){1|O<1>,6|C<3>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	114.2990	0.000	1	114.2990	0.000	1	114.2990	0.000	1	115.3702	1.632	28	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	4:4:3:2:	4:3:3:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,6a]C[6a]H)(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]N[5])	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|O<1>,3|H<1>,7|C<3>}	C[5,5](C[5]C[5,6a]C[6a]H)(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]N[5]){7|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	115.7500	0.000	1	115.7500	0.000	1	115.0805	0.896	2	114.4695	0.909	4	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	4:4:3:2:	4:3:3:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]O[5]O)(O[5]N[5])	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]O[5]O)(O[5]N[5]){2|H<1>,3|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	114.4110	0.000	1	114.4110	0.000	1	115.0805	0.896	2	114.4695	0.909	4	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	4:4:3:2:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[5,5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]C[5,6a])	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]H)(H){1|Cl<1>,1|H<1>,1|O<1>,7|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]C[5,6a]){1|H<1>,1|N<3>,1|O<1>,7|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	114.2690	0.000	1	114.2690	0.000	1	114.2690	0.000	1	114.4695	0.909	4	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	4:4:3:2:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(C[5]N[5]O)(S[5]C[5])	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(C[5]N[5]O)(S[5]C[5]){1|C<4>,1|H<1>,1|S<1>,3|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|H<1>,1|S<2>,2|C<4>,4|C<3>}	113.4480	0.000	1	113.4480	0.000	1	113.4480	0.000	1	114.4695	0.909	4	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	4:4:3:3:	4:3:3:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[5]-4:N[5]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]2N[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[5]C[5]O)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2N[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,4|H<1>,7|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[5]C[5]O){6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	114.4980	0.000	1	114.4980	0.000	1	114.4980	0.000	1	114.7314	2.665	5	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	4:4:3:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]C)(C[5]N[5]O)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]C)(C[5]N[5]O){1|C<4>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	113.3370	0.482	2	113.3370	0.233	2	113.3370	0.233	2	114.7314	2.665	5	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	4:4:3:3:	4:3:3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6]C[5]2)(C[6a]C[6a]2)(N[5]C[5,6]H)(H)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]N[5]H)(C[5]C[5,6a]O)2	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,5]C[5,6]C[5]2)(C[6a]C[6a]2)(N[5]C[5,6]H)(H){1|O<2>,2|H<1>,2|O<1>,7|C<3>}	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]N[5]H)(C[5]C[5,6a]O)2{1|H<1>,8|C<3>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,2|C<4>,2|H<1>,3|C<3>}	115.2630	0.000	1	115.2630	0.000	1	115.2630	0.000	1	114.7314	2.665	5	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	4:4:3:3:	4:3:3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[5]C[5,6a]O)2	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,2|O<1>,3|H<1>,6|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[5]C[5,6a]O)2{1|C<4>,1|H<1>,7|C<3>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	117.2220	0.000	1	117.2220	0.000	1	117.2220	0.000	1	114.7314	2.665	5	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	4:4:3:4:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-4:N[5]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]N[5]C)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[6a]C[5]H)(N[5]C[5,6a]C)(CH3)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]N[5]C)(C[6a]C[6a]2)(C[5]C[5]H)(H){1|C<4>,3|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[6a]C[5]H)(N[5]C[5,6a]C)(CH3){1|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	114.9010	0.000	1	114.9010	0.000	1	114.6190	0.159	2	115.3158	0.710	4	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	4:4:3:4:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-4:N[5]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]N[5]C)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[6a]C[5]H)(N[5]C[5,6a]C)(CH3)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]N[5]C)(C[6a]C[6a]2)(C[5]C[5]H)(H){1|C<4>,3|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[6a]C[5]H)(N[5]C[5,6a]C)(CH3){1|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	114.3370	0.000	1	114.3370	0.000	1	114.6190	0.159	2	115.3158	0.710	4	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	4:4:3:4:	4:3:3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5,5]-4:C[5]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(CC[6a]HH)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|N<3>,1|O<1>,3|C<3>,5|H<1>}	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(CC[6a]HH){1|C<4>,1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,2|H<1>,3|C<4>}	116.1320	0.000	1	116.1320	0.000	1	116.1320	0.000	1	115.3158	0.710	4	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	4:4:3:4:	4:3:3:	C[5,5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[5]-4:N[5]-3:C[5]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]2N[5])(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	C[5,5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(N[5]C[6a]O[5])(C[5]C[5]HH)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2N[5])(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,5|H<1>,6|C<3>}	C[5,5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(N[5]C[6a]O[5])(C[5]C[5]HH){1|H<1>,8|C<3>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	115.8930	0.000	1	115.8930	0.000	1	115.8930	0.000	1	115.3158	0.710	4	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	4:4:4:1:	4:3:3:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(C[5]S[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|S<4>,4|C<3>,6|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(C[5]S[5]HH)(H){2|H<1>,2|O<1>,3|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	111.2285	0.482	2	111.2285	0.232	2	111.2285	0.232	2	112.8298	2.237	10	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	4:4:4:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]HI)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,1|I<1>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]HI)(H){1|H<1>,1|O<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	110.7800	0.000	1	110.7800	0.000	1	110.7800	0.000	1	112.8298	2.237	10	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	4:4:4:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,3|C<3>,6|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	111.6760	0.000	1	112.7880	2.473	2	112.7880	2.473	2	112.8298	2.237	10	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	4:4:4:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){4|C<3>,6|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	113.9000	0.000	1	112.7880	2.473	2	112.7880	2.473	2	112.8298	2.237	10	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	4:4:4:1:	4:3:3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:S[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]S[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[6a]N[5]H)(S[5]C[5,6a]OO)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]S[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){2|O<1>,4|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[6a]N[5]H)(S[5]C[5,6a]OO)(H){2|H<1>,5|C<3>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,4|H<1>}	114.8470	0.000	1	114.8470	0.000	1	114.8470	0.000	1	112.8298	2.237	10	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	4:4:4:1:	4:3:3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){2|C<3>,3|C<4>,6|H<1>}	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,3|H<1>,4|C<4>}	114.4340	0.000	1	114.4340	0.000	1	113.5587	0.575	3	112.8298	2.237	10	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	4:4:4:1:	4:3:3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	113.1210	0.000	2	113.1210	0.000	2	113.5587	0.575	3	112.8298	2.237	10	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	4:4:4:1:	4:3:3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C[5,5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[5,5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(C[5,5]C[5]2C)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|N<2>,1|O<2>,3|H<1>,5|C<3>}	C[5,5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(C[5,5]C[5]2C)(H){1|C<4>,1|N<2>,1|O<1>,4|C<3>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	113.9620	0.000	1	113.9620	0.000	1	113.9620	0.000	1	112.8298	2.237	10	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	4:4:4:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)2(C[5]N[5]O)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]C[5]H)(H){1|N<3>,1|O<1>,4|C<3>,6|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)2(C[5]N[5]O){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	114.1150	0.000	1	114.1150	0.000	1	114.1150	0.000	1	115.7632	1.071	5	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	4:4:4:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-4:C[5]-4:N[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]O)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]O[5]CC)(N[5]C[5]C)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]O)(H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]O[5]CC)(N[5]C[5]C){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	116.9690	0.000	1	116.9690	0.000	1	116.9690	0.000	1	115.7632	1.071	5	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	4:4:4:3:	4:3:3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|C<4>,2|O<2>,4|C<3>,4|H<1>}	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO){1|H<1>,1|S<4>,5|C<3>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,2|H<1>,3|C<4>}	115.7670	0.000	1	115.7670	0.000	1	115.7670	0.000	1	115.7632	1.071	5	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	4:4:4:3:	4:3:3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	C[5,5](C[5]C[6a]N[5]H)(C[5]C[5,5]HH)(C[5]C[5]HH)(C[5]O[5]O)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[5,5](C[5]C[6a]N[5]H)(C[5]C[5,5]HH)(C[5]C[5]HH)(C[5]O[5]O){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	115.8860	0.000	1	115.8860	0.000	1	115.9825	0.019	2	115.7632	1.071	5	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	4:4:4:3:	4:3:3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[5]C[5,6]HH)(C[5]C[5,6]O)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|O<1>,2|C<4>,4|C<3>,6|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[5]C[5,6]HH)(C[5]C[5,6]O){3|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{1|H<1>,2|C<3>,2|O<2>,3|C<4>}	116.0790	0.000	1	116.0790	0.000	1	115.9825	0.019	2	115.7632	1.071	5	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:1:	4:4:4:4:	4:3:3:	C[5,5]-4:N[5]-3:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]N[5]H)(C[5]C[5]HH)(CHHO)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|Cl<1>,2|C<4>,4|C<3>,4|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]N[5]H)(C[5]C[5]HH)(CHHO){3|C<3>,4|H<1>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|Cl<1>,1|O<2>,2|C<3>,3|C<4>}	116.0680	0.000	1	116.0680	0.000	1	116.0680	0.000	1	116.0680	0.000	1	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:2:	3:4:4:2:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5,5]-4:C[5]-4:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a]O)(OH)	C[6a](C[5]C[5,6a]C[5,5]O)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OH){1|C<4>,1|O<2>,3|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a]O)(OH){2|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]C[5,5]O)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	113.1920	0.000	1	113.1920	0.000	1	113.1920	0.000	1	113.1920	0.000	1	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:2:	4:3:4:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]C[5])	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]C[5]){2|C<4>,5|C<3>,7|H<1>}	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|O<2>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	114.0655	2.852	2	114.0275	3.197	4	113.3918	3.033	48	113.3918	3.033	48	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:2:	4:3:4:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]C[5])	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]C[5]){2|C<4>,5|C<3>,7|H<1>}	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]2)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	113.9895	1.206	2	114.0275	3.197	4	113.3918	3.033	48	113.3918	3.033	48	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:2:	4:3:4:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]P[5])	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]P[5])(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]P[5]){1|Cu<3>,1|N<3>,2|C<4>,4|C<3>,6|H<1>}	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]P[5])(C[5]C[5]HH)(H){1|Cu<3>,1|N<3>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|P<4>,3|C<3>,3|H<1>}	113.3083	2.906	4	113.3340	3.051	44	113.3918	3.033	48	113.3918	3.033	48	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:2:	4:3:4:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]P[5])	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]P[5])(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]P[5]){1|Ni<4>,1|O<2>,2|C<4>,4|C<3>,6|H<1>}	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]P[5])(C[5]C[5]HH)(H){1|Ni<4>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|P<4>,3|C<3>,3|H<1>}	114.1555	1.333	2	113.3340	3.051	44	113.3918	3.033	48	113.3918	3.033	48	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:2:	4:3:4:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]P[5])	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]P[5])(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]P[5]){1|Pd<4>,1|O<2>,2|C<4>,4|C<3>,6|H<1>}	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]P[5])(C[5]C[5]HH)(H){1|Pd<4>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|P<4>,3|C<3>,3|H<1>}	113.4059	1.869	18	113.3340	3.051	44	113.3918	3.033	48	113.3918	3.033	48	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:2:	4:3:4:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]P[5])	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]P[5])(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]P[5]){1|Pd<4>,2|C<4>,5|C<3>,6|H<1>}	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]P[5])(C[5]C[5]HH)(H){1|Pd<4>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|P<4>,3|C<3>,3|H<1>}	113.2391	2.157	8	113.3340	3.051	44	113.3918	3.033	48	113.3918	3.033	48	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:2:	4:3:4:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]P[5])	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]P[5])(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]P[5]){1|Pd<4>,3|C<4>,4|C<3>,6|H<1>}	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]P[5])(C[5]C[5]HH)(H){1|Pd<4>,1|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|P<4>,3|C<3>,3|H<1>}	113.1609	0.965	12	113.3340	3.051	44	113.3918	3.033	48	113.3918	3.033	48	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:2:	4:4:2:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:O-2:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)(C[5]C[5]O)(OH)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[6a]C[5]O)(O[5]C[5,6a])(H)	C[6a](C[5]C[5,5]C[5]O)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)(C[5]C[5]O)(OH){4|C<3>,5|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[6a]C[5]O)(O[5]C[5,6a])(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]O)(C[6a]C[6a]H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	114.3640	0.187	2	114.3640	0.035	2	114.3640	0.035	2	114.3640	0.035	2	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:2:	4:4:4:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[6]-3:O[5]-2:	C[5]-4:N[5,5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[6]C[6]2)(O[5]C[5])	C[5,5](C[5]C[6a]C[6]O[5])(N[5,5]C[5]2Pd)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5]C[6]O[5])(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[6]C[6]2)(O[5]C[5]){1|Pd<4>,2|C<4>,5|C<3>,6|H<1>}	C[5,5](C[5]C[6a]C[6]O[5])(N[5,5]C[5]2Pd)(C[5]C[5]HH)(H){1|C<2>,4|C<3>,5|H<1>}	C[6a](C[5]C[5,5]C[6]O[5])(C[6a]C[6a]H)2{1|C<2>,1|N<4>,2|C<3>,2|C<4>,3|H<1>}	114.3180	0.000	1	114.3180	0.000	1	114.3180	0.000	1	113.4836	4.864	7	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:2:	4:4:4:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:N[5,5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]C[5])	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]2Pd)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]C[5]){1|Pd<4>,2|C<4>,5|C<3>,7|H<1>}	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]2Pd)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2{1|N<4>,2|C<4>,3|C<3>,3|H<1>}	114.2745	2.368	2	114.2745	5.608	2	114.2745	5.608	2	113.4836	4.864	7	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:2:	4:4:4:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[6a]-3:O[5]-2:	N[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]B[5,5])	C[5,5](N[5,5]B[5,5]C[5]B)(C[5]C[6a]2O[5])(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]B[5,5]){1|B<4>,1|N<4>,1|O<2>,2|C<4>,4|C<3>,6|H<1>}	C[5,5](N[5,5]B[5,5]C[5]B)(C[5]C[6a]2O[5])(C[5]C[5]HH)(H){1|N<4>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2{1|B<4>,1|C<4>,1|N<4>,3|C<3>,3|H<1>}	113.4655	2.347	2	113.4655	5.508	2	112.8795	6.723	4	113.4836	4.864	7	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:2:	4:4:4:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[6a]-3:O[5]-2:	N[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]B[5,5])	C[5,5](N[5,5]B[5,5]C[5]H)(C[5]C[6a]2O[5])(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]B[5,5]){1|N<4>,1|O<2>,2|C<4>,4|C<3>,7|H<1>}	C[5,5](N[5,5]B[5,5]C[5]H)(C[5]C[6a]2O[5])(C[5]C[5]HH)(H){1|N<4>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2{1|B<4>,1|C<4>,1|N<4>,3|C<3>,3|H<1>}	112.2935	3.645	2	112.2935	13.287	2	112.8795	6.723	4	113.4836	4.864	7	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:3:	3:3:4:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]2C[5])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]O)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5]C)(C[5]C[6a]N[5])	C[6a](C[5]C[5,5]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]2C[5])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]O){2|H<1>,7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5]C)(C[5]C[6a]N[5]){1|O<1>,2|H<1>,8|C<3>}	C[6a](C[5]C[5,5]C[5]C)(C[6a]C[6a]H)2{1|N<2>,1|O<1>,2|H<1>,4|C<3>}	115.1850	0.000	1	115.1850	0.000	1	115.1850	0.000	1	115.1850	0.000	1	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:3:	3:4:3:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-4:N[5,5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(COO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]C)(N[5,5]C[5,6a]C[5])(H)	C[6a](C[5]C[5,6a]C[5,5]C)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(COO){1|C<4>,3|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]C)(N[5,5]C[5,6a]C[5])(H){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5,5]C)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	113.3900	0.000	1	113.3900	0.000	1	113.3900	0.000	1	113.3900	0.000	1	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:3:	4:3:3:4:	4:3:3:	C[5,5]-4:C[5]-3:C[6a]-3:C-3:	C[5,6]-4:C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]2C[5,6])(C[5]N[5,6]O)(C[6a]C[6a]2)(CC[6a]O)	C[5,5](C[5,6]N[5,6]C[6a]O[6])(C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5]C)	C[6a](C[5]C[5,5]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]2C[5,6])(C[5]N[5,6]O)(C[6a]C[6a]2)(CC[6a]O){1|O<2>,2|H<1>,8|C<3>}	C[5,5](C[5,6]N[5,6]C[6a]O[6])(C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5]C){10|C<3>,1|O<1>,2|H<1>}	C[6a](C[5]C[5,5]C[5]C)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	114.5780	0.000	1	114.5780	0.000	1	114.5780	0.000	1	114.5780	0.000	1	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:3:	4:4:3:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)2(C[5]C[5]O)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]2C[5])(C[5]C[5]C)(H)	C[6a](C[5]C[5,5]C[6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)2(C[5]C[5]O){1|N<3>,6|C<3>,7|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]2C[5])(C[5]C[5]C)(H){1|O<1>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[6a]C[5])(C[6a]C[6a]H)2{1|O<1>,2|C<4>,3|H<1>,4|C<3>}	113.1760	2.239	2	113.1760	5.012	2	113.1760	5.012	2	113.1760	5.012	2	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:4:	4:3:3:2:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:N[5]-3:S[5]-2:	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[5,5](C[5]C[6a]C[5]C)(C[5]O[5]C)(N[5]C[5]C)(S[5]C[5])	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[5,5](C[5]C[6a]C[5]C)(C[5]O[5]C)(N[5]C[5]C)(S[5]C[5]){1|C<4>,1|O<1>,4|C<3>}	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>}	114.1000	0.000	1	114.1000	0.000	1	114.1000	0.000	1	114.1000	0.000	1	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:3:4:	4:3:3:4:	4:3:3:	C[5,5]-4:C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:B[5,5]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]B[5,5]C[5]C)(C[6a]C[6a]2)2(C[5]O[5]HH)	C[5,5](C[5]C[6a]2C[5])(B[5,5]C[5]O[5])(C[5]C[5]C)(CH3)	C[6a](C[5]C[5,5]C[6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]B[5,5]C[5]C)(C[6a]C[6a]2)2(C[5]O[5]HH){2|C<4>,4|H<1>,5|C<3>}	C[5,5](C[5]C[6a]2C[5])(B[5,5]C[5]O[5])(C[5]C[5]C)(CH3){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[6a]C[5])(C[6a]C[6a]H)2{1|B<3>,1|C<4>,1|O<2>,4|C<3>,4|H<1>}	113.4900	3.141	2	113.4900	9.866	2	113.4900	9.866	2	113.4900	9.866	2	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	3:3:4:2:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5]H)(O[5]C[5])	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5]H)(O[5]C[5]){1|C<4>,1|O<2>,3|H<1>,7|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	114.7400	0.000	1	114.7400	0.000	1	114.7400	0.000	1	114.7400	0.000	1	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	3:3:4:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]2N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[6a]C[5]H)(N[5]C[5]H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]2N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|C<4>,1|N<2>,4|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[6a]C[5]H)(N[5]C[5]H){1|C<4>,1|N<2>,1|N<3>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|N<3>,3|C<3>,3|H<1>}	121.4170	0.000	1	121.4170	0.000	1	121.4170	0.000	1	121.4170	0.000	1	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	3:3:4:4:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]2C[5,5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]2C[5,5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,8|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H){1|C<4>,2|O<1>,4|H<1>,8|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	115.1860	0.000	1	115.1860	0.000	1	115.1860	0.000	1	115.1860	0.000	1	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	3:4:3:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5,5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]C[5]2)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,3|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]C[5]2)(H){2|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	117.3552	0.935	4	117.3552	0.875	4	117.3552	0.875	4	117.3552	0.875	4	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	3:4:3:2:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5])	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|N<3>,3|C<3>,3|H<1>}	115.1610	0.000	1	115.1610	0.000	1	115.1610	0.000	1	114.5167	0.983	13	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	3:4:3:2:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	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)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]C[5])	C[6a](C[5]C[5,5]C[5]H)(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)(H){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]C[5]){1|Br<1>,1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|O<2>,4|C<3>,4|H<1>}	114.7340	0.000	1	114.4110	1.099	11	114.4630	1.031	12	114.5167	0.983	13	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	3:4:3:2:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	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)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]C[5])	C[6a](C[5]C[5,5]C[5]H)(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)(H){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|O<2>,4|C<3>,4|H<1>}	114.4409	1.286	7	114.4110	1.099	11	114.4630	1.031	12	114.5167	0.983	13	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	3:4:3:2:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	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)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]C[5])	C[6a](C[5]C[5,5]C[5]H)(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)(H){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|Br<1>,1|O<2>,2|H<1>,4|C<3>}	114.3735	0.865	2	114.4110	1.099	11	114.4630	1.031	12	114.5167	0.983	13	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	3:4:3:2:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	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)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]C[5])	C[6a](C[5]C[5,5]C[5]H)(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)(H){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]C[5]){1|Cl<1>,1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|O<2>,4|C<3>,4|H<1>}	113.9540	0.000	1	114.4110	1.099	11	114.4630	1.031	12	114.5167	0.983	13	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	3:4:3:2:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	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)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]O[5]O)(O[5]C[5])	C[6a](C[5]C[5,5]C[5]H)(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)(H){1|O<2>,2|H<1>,2|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]O[5]O)(O[5]C[5]){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|O<2>,4|C<3>,4|H<1>}	115.0350	0.000	1	115.0350	0.000	1	114.4630	1.031	12	114.5167	0.983	13	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	3:4:3:3:	3:4:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]N[5]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(H){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]N[5]O){4|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H){4|H<1>,7|C<3>}	115.3270	0.000	1	115.3270	0.000	1	116.7970	3.916	3	116.7970	3.916	3	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	3:4:3:3:	3:4:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a,6a]C[6a])(C[5]C[6a]C[5]H)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]N[5]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5]H)(C[6a]C[6a]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a,6a]C[6a])(C[5]C[6a]C[5]H)(H){1|C<2>,1|H<1>,1|N<3>,1|O<1>,8|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5]H)(C[6a]C[6a]C){1|O<1>,1|O<2>,2|H<1>,7|C<3>}	117.5320	2.143	2	117.5320	4.590	2	116.7970	3.916	3	116.7970	3.916	3	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	3:4:3:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]O[5]O)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|Br<1>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]O[5]O){4|C<3>,4|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){4|H<1>,5|C<3>}	114.9780	0.000	1	114.9780	0.000	1	115.0390	0.007	2	115.8836	2.551	13	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	3:4:3:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)2	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|N<3>,1|S<4>,2|H<1>,2|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)2{1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,4|C<3>,4|H<1>}	115.1000	0.000	1	115.1000	0.000	1	115.0390	0.007	2	115.8836	2.551	13	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	3:4:3:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]2H)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]2H)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	115.2880	0.156	2	115.2880	0.024	2	115.6569	2.479	9	115.8836	2.551	13	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	3:4:3:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|N<3>,1|O<1>,1|S<1>,3|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|H<1>,1|S<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|Br<1>,1|H<1>,1|N<3>,6|C<3>}	118.4600	0.000	1	118.4600	0.000	1	115.6569	2.479	9	115.8836	2.551	13	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	3:4:3:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|N<3>,1|O<1>,1|S<1>,3|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|S<1>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,5|C<3>}	113.4300	0.000	1	113.4300	0.000	1	115.6569	2.479	9	115.8836	2.551	13	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	3:4:3:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]C)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,4|C<3>,4|H<1>}	115.8500	1.083	2	115.1263	2.158	3	115.6569	2.479	9	115.8836	2.551	13	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	3:4:3:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]C)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<3>,2|H<1>,2|O<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,4|C<3>,4|H<1>}	113.6790	0.000	1	115.1263	2.158	3	115.6569	2.479	9	115.8836	2.551	13	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	3:4:3:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]C)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|N<3>,2|H<1>,2|O<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|N<3>,3|H<1>,4|C<3>}	116.6330	0.000	1	116.6330	0.000	1	115.6569	2.479	9	115.8836	2.551	13	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	3:4:3:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|N<3>,3|C<3>,3|H<1>}	116.4340	0.000	1	116.4340	0.000	1	115.6569	2.479	9	115.8836	2.551	13	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	3:4:3:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:N[5,5]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]N[5,5]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(N[5,5]C[5]S[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]N[5,5]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,1|S<4>,2|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(N[5,5]C[5]S[5])(C[6a]C[6a]2){3|O<1>,5|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,4|C<3>,4|H<1>}	117.7485	1.388	2	117.7485	1.927	2	117.7485	1.927	2	115.8836	2.551	13	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	3:4:4:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5,5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]N[5]CH)(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)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|N<3>,1|S<4>,3|H<1>,4|C<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)(H){1|S<4>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	119.0700	0.000	1	119.0700	0.000	1	119.0700	0.000	1	119.0700	0.000	1	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	3:4:4:2:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5,5]-4:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,5]O)(C[6a]C[6a]2)(C[5]N[5]HH)(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)(OC)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5,5]O)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|N<3>,1|S<4>,3|H<1>,4|C<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)(OC){1|S<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	115.7030	0.000	1	115.7030	0.000	1	115.7030	0.000	1	115.7030	0.000	1	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	3:4:4:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[5]N[5]O)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a,6a]H)(C[6a]N[6a]O)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[5]N[5]O){1|C<4>,2|O<1>,4|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a,6a]H)(C[6a]N[6a]O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	114.5995	0.016	2	114.5995	0.000	2	114.5995	0.000	2	116.6505	6.184	24	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	3:4:4:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]CH)(C[5]N[5]C)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|C<4>,1|N<2>,5|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]CH)(C[5]N[5]C){3|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,5|C<3>}	118.0187	1.545	4	118.0187	2.387	4	116.6772	6.063	21	116.6505	6.184	24	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	3:4:4:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]CH)(C[5]N[5]H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|N<2>,5|C<3>,6|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]CH)(C[5]N[5]H){3|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,5|C<3>}	117.0210	0.000	1	117.0210	0.000	1	116.6772	6.063	21	116.6505	6.184	24	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	3:4:4:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]CH)(C[5]N[5]O)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|F<1>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]CH)(C[5]N[5]O){5|C<3>,5|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|Cl<1>,2|C<4>,2|H<1>,4|C<3>}	120.5480	0.382	2	120.5480	0.146	2	116.6772	6.063	21	116.6505	6.184	24	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	3:4:4:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|Cl<1>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	114.7900	0.000	1	114.7900	0.000	1	116.6772	6.063	21	116.6505	6.184	24	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	3:4:4:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|N<3>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<4>,3|H<1>,4|C<3>}	114.5430	0.000	1	114.5430	0.000	1	116.6772	6.063	21	116.6505	6.184	24	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	3:4:4:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CN)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CN)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,2|H<1>,4|C<3>}	117.9925	1.844	4	117.9925	3.401	4	116.6772	6.063	21	116.6505	6.184	24	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	3:4:4:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	113.9520	0.000	1	115.5256	4.548	5	116.6772	6.063	21	116.6505	6.184	24	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	3:4:4:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	116.0050	2.739	3	115.5256	4.548	5	116.6772	6.063	21	116.6505	6.184	24	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	3:4:4:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|N<3>,1|O<1>,5|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	115.6610	0.000	1	115.5256	4.548	5	116.6772	6.063	21	116.6505	6.184	24	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	3:4:4:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[5]N[5]O)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[5]N[5]O){1|C<4>,3|H<1>,7|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	113.6050	0.000	1	113.6993	0.007	3	116.6772	6.063	21	116.6505	6.184	24	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	3:4:4:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[5]N[5]O)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[5]N[5]O){4|H<1>,7|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	113.7465	0.011	2	113.6993	0.007	3	116.6772	6.063	21	116.6505	6.184	24	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	3:4:4:3:	4:3:3:	C[5,5]-4:C[6a]-3:N[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:N-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,5]N)(C[6a]C[6a]2)(N[5]C[5]HH)(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)(NOO)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5,5]N)(C[6a]C[6a]2)(N[5]C[5]HH)(H){1|C<4>,1|N<3>,3|H<1>,5|C<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)(NOO){1|C<4>,1|S<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	120.1910	0.000	1	120.1910	0.000	1	120.1910	0.000	1	116.6505	6.184	24	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	3:4:4:4:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	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]C[5]HH)(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)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<3>,3|H<1>,6|C<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){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,4|H<1>}	117.1535	1.604	2	117.1535	2.574	2	117.1535	2.574	2	117.2833	4.344	10	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	3:4:4:4:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5,5]-4:C-4:	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]C[5]HH)(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)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,5|C<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){1|O<1>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	115.4450	0.000	1	115.4450	0.000	1	116.7559	3.154	7	117.2833	4.344	10	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	3:4:4:4:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5,5]-4:C-4:	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]CH)(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)	C[6a](C[5]C[5,5]C[5]H)(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]CH)(H){1|N<3>,1|S<4>,3|H<1>,4|C<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){1|S<4>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	118.9360	0.000	1	118.9360	0.000	1	116.7559	3.154	7	117.2833	4.344	10	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	3:4:4:4:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5,5]-4:C-4:	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)(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)	C[6a](C[5]C[5,5]C[5]H)(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)(H){1|N<3>,1|S<4>,3|H<1>,4|C<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){1|Br<1>,1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	118.8840	0.000	1	116.5820	3.075	5	116.7559	3.154	7	117.2833	4.344	10	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	3:4:4:4:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5,5]-4:C-4:	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)(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)	C[6a](C[5]C[5,5]C[5]H)(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)(H){1|N<3>,1|S<4>,3|H<1>,4|C<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){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	115.7243	1.536	3	116.5820	3.075	5	116.7559	3.154	7	117.2833	4.344	10	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	3:4:4:4:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5,5]-4:C-4:	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)(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)	C[6a](C[5]C[5,5]C[5]H)(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)(H){1|N<3>,1|S<4>,3|H<1>,4|C<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){1|S<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	116.8530	0.000	1	116.5820	3.075	5	116.7559	3.154	7	117.2833	4.344	10	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	3:4:4:4:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:S[5]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(S[5]N[5]OO)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|N<3>,2|O<1>,4|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(S[5]N[5]OO){1|C<4>,3|H<1>,7|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|S<4>,3|C<3>,3|H<1>}	121.2350	0.000	1	121.2350	0.000	1	121.2350	0.000	1	117.2833	4.344	10	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:3:2:2:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:O[5]-2:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]O[5]2)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(O[5]C[5])	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]O[5]2)(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|H<1>,2|O<1>,4|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(O[5]C[5]){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|O<2>,3|C<3>,4|H<1>}	114.8860	0.000	1	114.8860	0.000	1	115.5815	0.967	2	115.5815	0.967	2	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:3:2:2:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:O[5]-2:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]O[5]2)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]C)(O[5]C[5])2	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]O[5]2)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]C)(O[5]C[5])2{1|O<1>,3|C<3>,4|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|O<2>,4|H<1>}	116.2770	0.000	1	116.2770	0.000	1	115.5815	0.967	2	115.5815	0.967	2	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:3:2:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:O[5]-2:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]C)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,5|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]C){3|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|O<2>,4|C<3>,4|H<1>}	114.5400	3.671	2	114.5400	13.478	2	114.5400	13.478	2	114.5400	13.478	2	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:3:2:4:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:O[5]-2:C[5]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]N[5]HH)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|O<1>,4|C<3>,5|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]N[5]HH){2|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	113.8260	0.000	1	113.8260	0.000	1	113.8260	0.000	1	113.8260	0.000	1	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:3:3:2:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C[5]-3:N[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]O)(C[5]N[5]O)(N[5]C[5])	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|N<3>,2|O<1>,3|C<3>,3|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]O)(C[5]N[5]O)(N[5]C[5]){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<2>,2|C<4>,3|C<3>,3|H<1>}	116.1600	0.000	1	116.1600	0.000	1	115.8577	0.638	3	115.2977	1.679	4	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:3:3:2:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C[5]-3:N[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2(N[5]C[5])	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|H<1>,2|O<1>,5|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2(N[5]C[5]){2|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<2>,4|C<3>,4|H<1>}	114.9520	0.000	1	114.9520	0.000	1	115.8577	0.638	3	115.2977	1.679	4	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:3:3:2:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C[5]-3:N[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]O[5]O)(N[5]C[5])	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]O[5]O)(N[5]C[5]){3|C<3>,3|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<2>,4|C<3>,4|H<1>}	116.4610	0.000	1	116.4610	0.000	1	115.8577	0.638	3	115.2977	1.679	4	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:3:3:2:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C[5]-3:S[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]O)(C[5]N[5]O)(S[5]C[5])	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|N<2>,2|O<1>,3|C<3>,4|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]O)(C[5]N[5]O)(S[5]C[5]){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|S<2>,2|C<4>,3|C<3>,3|H<1>}	113.6180	0.000	1	113.6180	0.000	1	113.6180	0.000	1	115.2977	1.679	4	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:3:3:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C[5]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]N[5]C)(C[5]N[5]O)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]N[5]C)(C[5]N[5]O){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{3|H<1>,6|C<3>}	115.2910	0.000	1	115.2910	0.000	1	115.2910	0.000	1	114.9597	0.089	3	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:3:3:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C[5]-3:N[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]N)(C[5]N[5]O)(N[5]C[5]C)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<2>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]N)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	114.7130	0.000	1	114.7130	0.000	1	114.7940	0.013	2	114.9597	0.089	3	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:3:3:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C[5]-3:N[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2(N[5]C[5]C)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|Cl<1>,1|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2(N[5]C[5]C){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	114.8750	0.000	1	114.8750	0.000	1	114.7940	0.013	2	114.9597	0.089	3	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:3:3:4:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]2C[5,5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5]H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]2C[5,5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,8|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5]H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,8|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	118.3740	0.000	1	118.3740	0.000	1	118.3740	0.000	1	116.6377	2.930	4	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:3:3:4:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C[5]-3:C[5]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2(C[5]N[5]CC)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|C<4>,2|O<1>,3|H<1>,5|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2(C[5]N[5]CC){2|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|F<1>,1|N<3>,2|H<1>,4|C<3>}	116.1460	2.174	2	116.0590	2.385	3	116.0590	2.385	3	116.6377	2.930	4	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:3:3:4:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C[5]-3:C[5]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2(C[5]N[5]CC)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|C<4>,2|O<1>,3|H<1>,5|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2(C[5]N[5]CC){2|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	115.8850	0.000	1	116.0590	2.385	3	116.0590	2.385	3	116.6377	2.930	4	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:3:4:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5,5]-3:C[5]-4:F-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]F)(C[6a]C[6a]2)(C[5]O[5]CC)(H)	C[5,5](C[5]C[6a]C[5]H)(N[5,5]O[5]2)(C[5]C[5]HH)(F)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]F)(C[6a]C[6a]2)(C[5]O[5]CC)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5,5](C[5]C[6a]C[5]H)(N[5,5]O[5]2)(C[5]C[5]HH)(F){1|C<2>,1|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|F<1>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	114.5670	0.000	1	114.0495	0.536	2	114.0495	0.536	2	114.1448	0.515	6	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:3:4:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5,5]-3:C[5]-4:F-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]F)(C[6a]C[6a]2)(C[5]O[5]CC)(H)	C[5,5](C[5]C[6a]C[5]H)(N[5,5]O[5]2)(C[5]C[5]HH)(F)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]F)(C[6a]C[6a]2)(C[5]O[5]CC)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5,5](C[5]C[6a]C[5]H)(N[5,5]O[5]2)(C[5]C[5]HH)(F){1|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|F<1>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	113.5320	0.000	1	114.0495	0.536	2	114.0495	0.536	2	114.1448	0.515	6	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:3:4:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H){4|C<3>,6|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	114.2910	0.000	1	114.2910	0.000	1	114.1925	0.671	4	114.1448	0.515	6	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:3:4:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]C)	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,6|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]C){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	115.3020	0.000	1	115.3020	0.000	1	114.1925	0.671	4	114.1448	0.515	6	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:3:4:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,6|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	113.4420	0.000	1	113.4420	0.000	1	114.1925	0.671	4	114.1448	0.515	6	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:3:4:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HO)(H)	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HO)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	113.7350	0.000	1	113.7350	0.000	1	114.1925	0.671	4	114.1448	0.515	6	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:3:4:2:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5a]-3:C[5]-4:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5,5](C[5,5]C[5,6a]C[5]O)(C[5a]C[5a]O[5a])(C[5]C[6a]C[5]H)(O[5]C[5,6a])	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){3|H<1>,3|O<2>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]O)(C[5a]C[5a]O[5a])(C[5]C[6a]C[5]H)(O[5]C[5,6a]){1|O<2>,3|H<1>,7|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	115.7470	0.000	1	115.7470	0.000	1	115.9970	0.638	3	115.9970	0.638	3	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:3:4:2:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5a]-3:C[5]-4:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5,5](C[5,5]C[5,6a]C[5]O)(C[5a]C[5a]S[5a])(C[5]C[6a]C[5]H)(O[5]C[5,6a])	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|S<2>,2|O<2>,3|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]O)(C[5a]C[5a]S[5a])(C[5]C[6a]C[5]H)(O[5]C[5,6a]){1|O<2>,3|H<1>,7|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	116.1220	1.088	2	116.1220	1.183	2	115.9970	0.638	3	115.9970	0.638	3	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:3:4:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a,6a]H)(C[6a]N[6a]O)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,4|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a,6a]H)(C[6a]N[6a]O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	113.5540	0.000	1	114.1345	0.674	2	114.1345	0.674	2	113.7857	1.468	10	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:3:4:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a,6a]H)(C[6a]N[6a]O)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O){1|C<4>,1|O<1>,4|H<1>,7|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a,6a]H)(C[6a]N[6a]O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	114.7150	0.000	1	114.1345	0.674	2	114.1345	0.674	2	113.7857	1.468	10	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:3:4:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(C[5]C[5]CN)(C[5]N[5]O)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<3>,2|H<1>,2|N<2>,2|O<1>,4|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(C[5]C[5]CN)(C[5]N[5]O){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	112.5635	0.825	2	112.5635	0.681	2	112.5635	0.681	2	113.7857	1.468	10	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:3:4:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5,5]-3:C[5]-4:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(COO)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(COO){1|O<1>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	112.5665	1.114	2	112.5665	1.240	2	114.0768	1.623	6	113.7857	1.468	10	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:3:4:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5,5]-3:C[5]-4:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]O[5]CH)(COO)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]O[5]CH)(COO){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	114.7880	0.103	2	114.7880	0.011	2	114.0768	1.623	6	113.7857	1.468	10	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:3:4:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5,5]-3:C[5]-4:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]O[5]HH)(COO)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]O[5]HH)(COO){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	114.7980	0.000	1	114.7980	0.000	1	114.0768	1.623	6	113.7857	1.468	10	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:3:4:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5,5]-3:C[5]-4:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]S[5]HH)(COO)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,1|S<4>,2|C<3>,4|H<1>}	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]S[5]HH)(COO){1|C<4>,2|C<3>,3|H<1>,3|O<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	114.9540	0.000	1	114.9540	0.000	1	114.0768	1.623	6	113.7857	1.468	10	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[6a]C[5]H)(N[5]C[5,6a]C)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[6a]C[5]H)(N[5]C[5,6a]C)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	114.0350	0.000	1	114.0350	0.000	1	114.0350	0.000	1	113.8620	0.060	2	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2O)(C[5]O[5]O)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>,4|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2O)(C[5]O[5]O)(H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	113.6890	0.000	1	113.6890	0.000	1	113.6890	0.000	1	113.8620	0.060	2	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:4:3:2:	3:4:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:O[5]-2:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a,6a]C[6a])(C[5]N[5]CH)(H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a,6a]C[6a])(C[5]N[5]CH)(H){1|H<1>,1|O<1>,7|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]C[5,6a]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H){1|N<2>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	116.1450	0.000	1	116.1450	0.000	1	116.1450	0.000	1	115.7635	0.291	2	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:4:3:2:	3:4:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a,6a]C[6a])(C[5]N[5]HH)(H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,5a]O)(S[5]C[5,5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a,6a]C[6a])(C[5]N[5]HH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,5a]O)(S[5]C[5,5a]){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|S<2>,4|C<3>,4|H<1>}	115.3820	0.000	1	115.3820	0.000	1	115.3820	0.000	1	115.7635	0.291	2	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:4:3:2:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:N[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]O[5]O)(N[5]C[5])	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]O[5]O)(N[5]C[5]){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|N<2>,1|N<3>,2|C<3>,4|H<1>}	114.6240	0.000	1	114.6240	0.000	1	114.6240	0.000	1	116.8367	2.080	34	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:4:3:2:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,5]O[5]O)(C[5]C[6a]C[5]H)(C[5]O[5]O)(O[5]C[5])	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>,4|O<2>}	C[5,5](C[5,5]C[5,5]O[5]O)(C[5]C[6a]C[5]H)(C[5]O[5]O)(O[5]C[5]){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	118.2310	0.000	1	117.5850	0.835	2	117.5850	0.835	2	116.8367	2.080	34	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:4:3:2:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,5]O[5]O)(C[5]C[6a]C[5]H)(C[5]O[5]O)(O[5]C[5])	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>,3|O<2>}	C[5,5](C[5,5]C[5,5]O[5]O)(C[5]C[6a]C[5]H)(C[5]O[5]O)(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,4|H<1>}	116.9390	0.000	1	117.5850	0.835	2	117.5850	0.835	2	116.8367	2.080	34	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:4:3:2:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,5]O)(S[5]C[5,5])	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,5]O)(S[5]C[5,5]){1|N<2>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,1|S<2>,2|C<3>,3|H<1>}	117.1760	0.000	1	117.1760	0.000	1	117.0329	2.388	20	116.8367	2.080	34	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:4:3:2:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,5]O)(S[5]C[5,5])	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,5]O)(S[5]C[5,5]){1|N<2>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|S<2>,2|C<3>,4|H<1>}	116.3930	0.000	1	116.3930	0.000	1	117.0329	2.388	20	116.8367	2.080	34	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:4:3:2:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,5a]O)(S[5]C[5,5a])	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,5a]O)(S[5]C[5,5a]){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|S<2>,2|C<3>,4|H<1>}	116.2240	1.223	2	116.2240	1.496	2	117.0329	2.388	20	116.8367	2.080	34	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:4:3:2:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,5a]O)(S[5]C[5,5a])	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,5a]O)(S[5]C[5,5a]){1|C<4>,1|N<3>,1|O<1>,2|H<1>,2|N<2>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|S<2>,2|C<3>,4|H<1>}	115.8810	0.000	1	115.8810	0.000	1	117.0329	2.388	20	116.8367	2.080	34	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:4:3:2:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,6]O)(S[5]C[5,6])	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|F<1>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,6]O)(S[5]C[5,6]){1|C<4>,1|N<2>,1|O<1>,2|H<1>,2|N<3>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|S<2>,2|C<3>,4|H<1>}	115.8445	0.350	2	115.8445	0.123	2	117.0329	2.388	20	116.8367	2.080	34	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:4:3:2:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,6]O)(S[5]C[5,6])	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,6]O)(S[5]C[5,6]){1|C<4>,1|N<2>,1|O<1>,2|H<1>,2|N<3>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|S<2>,2|C<3>,4|H<1>}	115.4767	2.127	3	117.3655	3.421	11	117.0329	2.388	20	116.8367	2.080	34	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:4:3:2:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,6]O)(S[5]C[5,6])	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,6]O)(S[5]C[5,6]){1|N<2>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|S<2>,2|C<3>,4|H<1>}	118.0739	1.221	8	117.3655	3.421	11	117.0329	2.388	20	116.8367	2.080	34	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:4:3:2:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5]O)(S[5]C[5])	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5]O)(S[5]C[5]){1|C<4>,1|N<3>,1|O<1>,1|S<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|S<2>,2|C<3>,4|H<1>}	118.0245	0.685	2	118.0245	0.469	2	117.0329	2.388	20	116.8367	2.080	34	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:4:3:2:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){2|O<2>,3|H<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6a]){1|O<2>,4|H<1>,7|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	118.2530	0.000	1	118.2530	0.000	1	117.0025	3.128	2	116.8367	2.080	34	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:4:3:2:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<3>,1|O<2>,3|H<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6a]){1|N<3>,5|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	115.7520	0.000	1	115.7520	0.000	1	117.0025	3.128	2	116.8367	2.080	34	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:4:3:2:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-3:N[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]O[5]O)(N[5]C[5])	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<1>,1|O<2>,4|C<3>,5|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]O[5]O)(N[5]C[5]){2|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<2>,2|C<4>,3|C<3>,3|H<1>}	115.1870	0.168	2	115.1870	0.028	2	115.3137	0.062	3	116.8367	2.080	34	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:4:3:2:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-3:N[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[4]N[5]H)(C[5]O[5]O)(N[5]C[5])	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[4]N[5]H)(C[5]O[5]O)(N[5]C[5]){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,4|H<1>}	115.5670	0.000	1	115.5670	0.000	1	115.3137	0.062	3	116.8367	2.080	34	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:4:3:2:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[5,5](C[5]C[6a]C[5]H)2(C[5]C[5,6a]O)(O[5]C[5,6a])	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|O<1>,5|C<3>,5|H<1>}	C[5,5](C[5]C[6a]C[5]H)2(C[5]C[5,6a]O)(O[5]C[5,6a]){2|H<1>,8|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,2|H<1>,4|C<3>}	117.8760	0.000	1	117.8760	0.000	1	116.9475	1.724	2	116.8367	2.080	34	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:4:3:2:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,5](C[5]C[6a]C[5]H)2(C[5]C[5,6a]O)(O[5]C[5,6a])	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,7|C<3>}	C[5,5](C[5]C[6a]C[5]H)2(C[5]C[5,6a]O)(O[5]C[5,6a]){2|H<1>,8|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	116.0190	0.000	1	116.0190	0.000	1	116.9475	1.724	2	116.8367	2.080	34	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:4:3:2:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]N[5]CC)(C[5]N[5]O)(S[5]C[5])	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|N<2>,1|O<1>,2|H<1>,5|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]N[5]CC)(C[5]N[5]O)(S[5]C[5]){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<2>,1|S<2>,2|C<3>,2|C<4>,3|H<1>}	117.5430	0.000	1	117.5103	0.409	3	117.0390	1.161	4	116.8367	2.080	34	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:4:3:2:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]N[5]CC)(C[5]N[5]O)(S[5]C[5])	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|N<2>,1|O<1>,3|H<1>,5|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]N[5]CC)(C[5]N[5]O)(S[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,1|S<2>,2|C<3>,2|C<4>,3|H<1>}	117.4940	0.904	2	117.5103	0.409	3	117.0390	1.161	4	116.8367	2.080	34	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:4:3:2:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(C[5]N[5]O)(S[5]C[5])	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(C[5]N[5]O)(S[5]C[5]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<4>,1|S<2>,2|C<3>,4|H<1>}	115.6250	0.000	1	115.6250	0.000	1	117.0390	1.161	4	116.8367	2.080	34	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:4:3:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(C[5]N[5]O)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|N<2>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,7|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<2>,2|C<4>,3|C<3>,3|H<1>}	117.0393	3.241	3	117.0393	10.502	3	116.1416	4.886	8	116.0676	3.870	20	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:4:3:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,2|O<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,2|O<2>,3|C<3>}	115.3230	0.000	1	115.6030	2.332	5	116.1416	4.886	8	116.0676	3.870	20	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:4:3:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,2|O<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	118.2300	0.000	1	115.6030	2.332	5	116.1416	4.886	8	116.0676	3.870	20	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:4:3:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,2|O<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|N<3>,3|C<3>,3|H<1>}	114.7070	0.000	1	115.6030	2.332	5	116.1416	4.886	8	116.0676	3.870	20	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:4:3:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,2|O<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	115.3740	0.000	1	115.6030	2.332	5	116.1416	4.886	8	116.0676	3.870	20	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:4:3:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,2|O<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2{1|C<4>,1|O<1>,2|H<1>,7|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	114.3810	0.000	1	115.6030	2.332	5	116.1416	4.886	8	116.0676	3.870	20	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:4:3:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:N[5]-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]N[5]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[6a]C[5]H)(N[5]C[5,6a]C)(COO)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]N[5]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H){3|H<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[6a]C[5]H)(N[5]C[5,6a]C)(COO){2|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|N<3>,4|H<1>}	113.6990	0.000	1	113.6990	0.000	1	113.6990	0.000	1	116.0676	3.870	20	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:4:3:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]N[5]CC)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[5]C[5,6a]O)2	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]N[5]CC)(H){2|O<1>,4|H<1>,5|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[5]C[5,6a]O)2{1|C<4>,1|H<1>,7|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,2|H<1>,4|C<3>}	118.8660	0.000	1	118.8660	0.000	1	118.8660	0.000	1	116.0676	3.870	20	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:4:3:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(N[5]C[5]H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|O<1>,5|C<3>,6|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(N[5]C[5]H){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|N<3>,3|H<1>}	116.4795	0.177	2	116.4795	0.032	2	115.9653	2.861	10	116.0676	3.870	20	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:4:3:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]O[5]O)(N[5]C[5]H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,6|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]O[5]O)(N[5]C[5]H){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|N<3>,3|H<1>}	115.8240	0.000	1	115.8240	0.000	1	115.9653	2.861	10	116.0676	3.870	20	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:4:3:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[5,5](C[5]C[6a]C[5]H)2(C[5]N[5]O)(N[5]C[5]H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[5,5](C[5]C[6a]C[5]H)2(C[5]N[5]O)(N[5]C[5]H){1|N<3>,5|C<3>,5|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|N<3>,3|H<1>}	116.5335	0.313	2	116.5335	0.098	2	115.9653	2.861	10	116.0676	3.870	20	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:4:3:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HO)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]C[5]H)(N[5]C[5]C)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]C)	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HO)(H){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]C[5]H)(N[5]C[5]C){2|C<3>,2|O<2>,5|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]C){1|C<4>,1|N<3>,2|H<1>,2|O<2>,3|C<3>}	116.4540	1.358	2	116.4540	1.843	2	115.9653	2.861	10	116.0676	3.870	20	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:4:3:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,5](C[5]C[6a]C[5]H)2(C[5]N[5]O)(N[5]C[5]H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[5,5](C[5]C[6a]C[5]H)2(C[5]N[5]O)(N[5]C[5]H){1|N<3>,5|C<3>,5|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|N<3>,4|H<1>}	113.1980	0.604	2	113.1980	0.365	2	115.9653	2.861	10	116.0676	3.870	20	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:4:3:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]HO)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]HO)(H){1|Br<1>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|N<3>,2|O<2>}	118.4990	0.000	1	118.4990	0.000	1	115.9653	2.861	10	116.0676	3.870	20	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:4:3:4:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:C[5]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5,5]O)(C[5]C[5]HH)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|O<1>,3|C<4>,4|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5,5]O)(C[5]C[5]HH){1|N<3>,1|O<1>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	118.5650	0.000	1	118.5650	0.000	1	118.5650	0.000	1	116.8510	5.745	3	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:4:3:4:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|S<4>,2|C<4>,4|C<3>,5|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|S<4>,4|C<3>,8|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	117.8760	0.000	1	117.8760	0.000	1	117.8760	0.000	1	116.8510	5.745	3	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:4:3:4:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5,5]-4:C[5]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]H)(CH3)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]H)(CH3){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	114.1120	0.000	1	114.1120	0.000	1	114.1120	0.000	1	116.8510	5.745	3	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:4:4:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,7|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,7|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,5|H<1>}	114.9325	3.556	2	114.9325	12.645	2	114.6580	4.779	4	114.1577	3.575	6	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:4:4:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]HH)(H){1|O<1>,1|O<2>,1|S<4>,2|C<3>,3|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,5|H<1>}	115.2170	0.000	1	115.2170	0.000	1	114.6580	4.779	4	114.1577	3.575	6	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:4:4:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]O[5]CH)(H){1|O<2>,3|C<3>,5|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	113.5500	0.000	1	113.5500	0.000	1	114.6580	4.779	4	114.1577	3.575	6	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:4:4:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5,5]-4:S[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]S[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(S[5]C[5]OO)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]S[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,2|O<1>,3|H<1>,5|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(S[5]C[5]OO)(H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,5|H<1>}	113.6740	0.000	1	113.6740	0.000	1	113.6740	0.000	1	114.1577	3.575	6	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:4:4:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5,5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2C)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<4>,4|C<3>,5|H<1>}	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2C)(C[5]C[5]HH)(H){3|C<3>,7|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<4>,2|C<4>,5|H<1>}	112.6400	0.000	1	112.6400	0.000	1	112.6400	0.000	1	114.1577	3.575	6	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:4:4:2:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]O)(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[5,5](C[5,5]C[5,6a]O[5]O)(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(OH)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]O)(C[6a]C[6a]2)(C[5]O[5]CH)(H){1|O<2>,4|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6a]O[5]O)(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(OH){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|O<2>,3|C<4>,3|H<1>}	116.8720	1.409	2	116.8720	1.984	2	116.8720	1.984	2	116.6943	1.087	3	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:4:4:2:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5,5]-4:C[5]-4:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]O)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(OC)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]O)(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,7|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(OC){1|C<4>,2|C<3>,7|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	116.3390	0.000	1	116.3390	0.000	1	116.3390	0.000	1	116.6943	1.087	3	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:4:4:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5]HH)(C[5]C[5]O)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|N<3>,1|O<1>,5|C<3>,5|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5]HH)(C[5]C[5]O){1|N<3>,2|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	118.6040	0.000	1	118.6040	0.000	1	115.8431	1.875	14	116.1341	2.857	17	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:4:4:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|O<1>,4|H<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O){1|C<4>,1|O<1>,2|H<1>,7|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	116.5270	0.233	2	116.5270	0.054	2	115.8431	1.875	14	116.1341	2.857	17	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:4:4:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]C[5]O)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|F<1>,1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]C[5]O){1|C<4>,1|O<1>,4|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	117.0310	0.000	1	117.0310	0.000	1	115.8431	1.875	14	116.1341	2.857	17	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:4:4:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]C[5]O)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|O<1>,2|C<4>,4|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]C[5]O){1|C<4>,1|O<1>,4|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	116.8620	0.000	1	116.8620	0.000	1	115.8431	1.875	14	116.1341	2.857	17	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:4:4:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O){1|N<3>,2|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	116.4190	0.000	1	116.4190	0.000	1	115.8431	1.875	14	116.1341	2.857	17	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:4:4:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,5](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|N<2>,1|O<1>,4|H<1>,5|C<3>}	C[5,5](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O){1|C<4>,2|H<1>,2|O<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	113.9320	0.000	1	113.9320	0.000	1	115.8431	1.875	14	116.1341	2.857	17	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:4:4:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,5](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|O<1>,4|H<1>,6|C<3>}	C[5,5](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O){1|C<4>,2|H<1>,2|O<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|Br<1>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	116.9310	0.000	1	115.1289	0.959	7	115.8431	1.875	14	116.1341	2.857	17	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:4:4:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,5](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|O<1>,4|H<1>,6|C<3>}	C[5,5](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O){1|C<4>,2|H<1>,2|O<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	114.8285	0.627	6	115.1289	0.959	7	115.8431	1.875	14	116.1341	2.857	17	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:4:4:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[5]C[5,6]HH)(C[5]C[5,6]O)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|O<1>,2|C<4>,3|C<3>,6|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[5]C[5,6]HH)(C[5]C[5,6]O){3|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	114.5420	0.000	1	114.5420	0.000	1	114.5420	0.000	1	116.1341	2.857	17	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:4:4:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-4:N[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)2(N[5]C[5]C)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,3|C<3>,3|C<4>,5|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)2(N[5]C[5]C){1|O<1>,2|C<3>,6|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	118.0780	0.000	1	118.0780	0.000	1	118.9665	1.579	2	116.1341	2.857	17	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:4:4:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-4:N[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HO)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)2(N[5]C[5]C)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]C)	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HO)(H){1|O<2>,3|C<3>,3|C<4>,6|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)2(N[5]C[5]C){2|C<3>,2|O<2>,6|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]C){1|C<3>,1|N<3>,2|H<1>,2|O<2>,3|C<4>}	119.8550	0.000	1	119.8550	0.000	1	118.9665	1.579	2	116.1341	2.857	17	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:1:	4:4:4:4:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-4:N[5]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)2(N[5]C[5]CH)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,4|C<4>,6|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)2(N[5]C[5]CH){1|O<1>,2|C<3>,6|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<4>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	117.7550	0.000	1	117.7550	0.000	1	117.7550	0.000	1	117.7550	0.000	1	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:2:	4:3:4:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:O-2:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CO)(OH)	C[5,5](C[5]C[6a]C[5]O)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5]C[5]O)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CO)(OH){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,5](C[5]C[6a]C[5]O)(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5]C[5,5]C[5]O)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	113.8190	0.000	1	113.8190	0.000	1	112.6115	2.916	2	112.6115	2.916	2	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:2:	4:3:4:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:O-2:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(OH)	C[5,5](C[5]C[6a]C[5]O)(N[5,5]C[5]2)(C[5]N[5]HH)(H)	C[6a](C[5]C[5,5]C[5]O)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(OH){1|N<3>,3|C<3>,6|H<1>}	C[5,5](C[5]C[6a]C[5]O)(N[5,5]C[5]2)(C[5]N[5]HH)(H){1|O<1>,3|C<3>,4|H<1>}	C[6a](C[5]C[5,5]C[5]O)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,5|H<1>}	111.4040	0.000	1	111.4040	0.000	1	112.6115	2.916	2	112.6115	2.916	2	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:2:	4:4:3:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:O-2:	C[5]-4:C[5]-4:N[5,5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(OH)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(N[5,5]C[5]N[5])(H)	C[6a](C[5]C[5,5]C[5]O)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(OH){1|N<2>,4|H<1>,5|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(N[5,5]C[5]N[5])(H){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5]O)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	114.0860	0.000	1	114.0860	0.000	1	114.0860	0.000	1	114.0860	0.000	1	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:3:	3:4:3:2:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	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)(COO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(C[5]N[5]O)(O[5]C[5])	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)(COO){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]C)(C[6a]C[6a]H)2{1|O<2>,4|C<3>,4|H<1>}	113.4350	0.000	1	113.4350	0.000	1	113.4350	0.000	1	113.4350	0.000	1	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:4:	3:4:3:2:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	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[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(C[5]N[5]O)(O[5]C[5])	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[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(C[5]N[5]O)(O[5]C[5]){1|O<1>,4|C<3>,4|H<1>}	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>}	112.6710	0.000	1	112.6710	0.000	1	112.6710	0.000	1	112.6710	0.000	1	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:3:4:4:	3:4:4:4:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[5]-4:C[5,5]-4:C-4:	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[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[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[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[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>}	114.5540	0.000	1	114.5540	0.000	1	114.5540	0.000	1	114.5540	0.000	1	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	3:3:3:4:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:N[5,5]-3:C[5]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]2N[5,5])(C[5]C[5,5]HN)(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]2N[5,5])(C[5]C[5,5]HN)(C[6a]C[6a]2)(H){1|N<2>,2|C<4>,3|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H){1|C<4>,1|N<2>,1|N<3>,1|S<2>,5|C<3>,5|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|N<3>,3|C<3>,3|H<1>}	117.8330	0.000	1	117.5440	0.167	2	117.5440	0.167	2	117.5440	0.167	2	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	3:3:3:4:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:N[5,5]-3:C[5]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]2N[5,5])(C[5]C[5,5]HN)(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]2N[5,5])(C[5]C[5,5]HN)(C[6a]C[6a]2)(H){1|N<2>,2|C<4>,3|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H){1|N<2>,1|N<3>,2|C<4>,5|C<3>,5|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|N<3>,3|C<3>,3|H<1>}	117.2550	0.000	1	117.5440	0.167	2	117.5440	0.167	2	117.5440	0.167	2	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	3:3:4:3:	4:2:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5]-4:N[6a]-2:N[6a]-3:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6a]N[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]N[5]O)	C[6a](C[5]C[5,5]C[5]H)(N[6a]C[6a,6a])(N[6a]C[6a]2)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6a]N[6a]2)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]N[5]O){1|N<2>,1|N<3>,2|C<4>,3|C<3>,6|H<1>}	C[6a](C[5]C[5,5]C[5]H)(N[6a]C[6a,6a])(N[6a]C[6a]2){1|C<4>,1|H<1>,1|N<3>,1|O<1>,7|C<3>}	114.4220	0.000	1	114.4220	0.000	1	114.4220	0.000	1	114.4220	0.000	1	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	3:3:4:3:	4:3:3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N[5,5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]2N[5,5])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,5]C[6a]H)(N[5,5]C[3x5]C[5])	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]2N[5,5])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,5]C[6a]H)(N[5,5]C[3x5]C[5]){2|C<4>,6|H<1>,7|C<3>}	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	114.1920	0.000	1	114.1920	0.000	1	114.1920	0.000	1	115.8140	2.966	7	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	3:3:4:3:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5a]C[5,6a]C[5])(C[5]C[5,5a]C[5a]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5a]C[5,6a]C[5])(C[5]C[5,5a]C[5a]H)(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,3|N<3>,6|C<3>}	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O){1|C<4>,1|N<3>,2|H<1>,7|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|Cl<1>,2|H<1>,6|C<3>}	113.1100	0.000	1	113.1100	0.000	1	113.1100	0.000	1	115.8140	2.966	7	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	3:3:4:3:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]CH)(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5]H)(N[5]S[5]H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]CH)(C[6a]C[6a]2)(H){1|S<4>,3|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5]H)(N[5]S[5]H){2|O<1>,3|H<1>,7|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,5|C<3>}	117.5490	0.000	1	117.5490	0.000	1	117.5490	0.000	1	115.8140	2.966	7	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	3:3:4:3:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]HN)(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]N[5]O)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]HN)(C[6a]C[6a]2)(H){1|Cl<1>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]N[5]O){1|N<3>,2|C<4>,4|C<3>,6|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	115.7190	0.000	1	115.7190	0.000	1	116.4617	1.054	4	115.8140	2.966	7	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	3:3:4:3:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]HN)(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]N[5]O)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]HN)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]N[5]O){1|N<3>,2|C<4>,4|C<3>,6|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|H<1>,2|N<3>,3|C<3>}	116.1790	0.000	1	116.1790	0.000	1	116.4617	1.054	4	115.8140	2.966	7	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	3:3:4:3:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]HN)(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]N[5]O)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]HN)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]N[5]O){1|N<3>,2|C<4>,4|C<3>,6|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|N<3>,3|C<3>,3|H<1>}	116.9745	1.416	2	116.9745	2.006	2	116.4617	1.054	4	115.8140	2.966	7	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	3:4:3:1:	4:3:3:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:N[5,5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]N[5,5]H)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a]H)(N[5,5]C[5,6]S[5])(H)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]N[5,5]H)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(H){1|S<4>,2|C<4>,4|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a]H)(N[5,5]C[5,6]S[5])(H){2|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	115.0000	0.000	1	115.0000	0.000	1	115.0000	0.000	1	115.0000	0.000	1	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	3:4:3:2:	4:3:3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,5]C[5]3)(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]N[5]O)(N[5]C[5])	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,5]C[5]3)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|S<2>,2|H<1>,2|N<3>,2|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]N[5]O)(N[5]C[5]){1|C<4>,1|H<1>,1|S<2>,6|C<3>}	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,6|C<3>}	117.7180	0.000	2	117.7180	0.000	2	117.7180	0.000	2	118.7564	3.149	5	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	3:4:3:2:	4:3:3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	N[5,5]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]O)(C[5,5]C[5]2N[5])(C[6a]C[6a]2)(H)	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,5]C[6a]H)(C[5]C[5,6a]O)(OH)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]O)(C[5,5]C[5]2N[5])(C[6a]C[6a]2)(H){2|O<1>,4|H<1>,7|C<3>}	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,5]C[6a]H)(C[5]C[5,6a]O)(OH){1|H<1>,1|N<3>,6|C<3>}	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,2|N<3>,3|C<3>}	117.7140	0.000	1	117.7140	0.000	1	117.7140	0.000	1	118.7564	3.149	5	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	3:4:3:2:	4:3:3:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a]H)(C[5]N[5]O)(N[5]C[5])	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(H){1|S<2>,2|H<1>,3|N<3>,3|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a]H)(C[5]N[5]O)(N[5]C[5]){1|C<4>,1|H<1>,1|S<2>,6|C<3>}	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,6|C<3>}	120.3160	2.118	2	120.3160	4.488	2	120.3160	4.488	2	118.7564	3.149	5	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	3:4:3:3:	4:3:3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]3)(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]C[5]C)(C[5]N[5]O)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]3)(C[6a]C[6a]2)(H){1|C<2>,1|C<4>,1|N<2>,2|H<1>,2|O<1>,3|N<3>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	120.0385	0.542	2	120.0385	0.294	2	120.0385	0.294	2	117.4768	5.967	13	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	3:4:3:3:	4:3:3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:N[5,5]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]N[5]O)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(H){2|C<4>,2|N<3>,2|O<1>,5|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]N[5]O){3|C<4>,5|C<3>,5|H<1>}	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,2|H<1>,4|C<3>}	119.8760	0.000	1	119.8760	0.000	1	119.9833	0.033	3	117.4768	5.967	13	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	3:4:3:3:	4:3:3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:N[5,5]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]N[5]O)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,2|C<4>,2|O<1>,3|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]N[5]O){1|S<2>,3|C<4>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|S<2>,2|H<1>,4|C<3>}	120.1930	0.000	1	120.0370	0.049	2	119.9833	0.033	3	117.4768	5.967	13	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	3:4:3:3:	4:3:3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:N[5,5]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]N[5]O)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(H){2|C<4>,2|N<3>,2|O<1>,3|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]N[5]O){1|S<2>,3|C<4>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|S<2>,2|H<1>,4|C<3>}	119.8810	0.000	1	120.0370	0.049	2	119.9833	0.033	3	117.4768	5.967	13	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	3:4:3:3:	4:3:3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:N[5,6]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]N[5,6]C[5])(C[5,5]C[5,6]C[5]2)(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(N[5,6]C[5,6]C[6])(C[5]N[5]O)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]N[5,6]C[5])(C[5,5]C[5,6]C[5]2)(C[6a]C[6a]2)(H){1|C<4>,2|N<3>,2|O<1>,5|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(N[5,6]C[5,6]C[6])(C[5]N[5]O){2|C<4>,5|H<1>,6|C<3>}	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,2|H<1>,4|C<3>}	114.0790	0.000	1	114.0790	0.000	1	114.0790	0.000	1	117.4768	5.967	13	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	3:4:3:3:	4:3:3:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a]H)(C[5]N[5]O)(N[5]C[5]H)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(H){1|S<1>,3|H<1>,3|N<3>,3|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a]H)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|H<1>,1|S<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,6|C<3>}	118.7530	0.000	1	118.7530	0.000	1	118.7530	0.000	1	117.4768	5.967	13	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	3:4:3:3:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]O)(C[5]N[5]O)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,2|O<1>,4|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]O)(C[5]N[5]O){4|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,5|C<3>}	114.7630	1.129	2	114.7630	1.274	2	114.7630	1.274	2	117.4768	5.967	13	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	3:4:3:3:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|O<2>,1|S<1>,3|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|S<1>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,5|C<3>}	116.0960	0.000	1	116.0960	0.000	1	116.0960	0.000	1	117.4768	5.967	13	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	3:4:3:3:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:N[5]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(N[5]C[5,5]H)(C[5]N[5]O)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(N[5]C[5,5]H)(C[5]N[5]O){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	115.3650	0.000	1	115.3650	0.000	1	115.3650	0.000	1	117.4768	5.967	13	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	3:4:3:3:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	N[5,5]-3:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]2)(C[5]C[5,5]HN)(C[6a]C[6a]2)(H)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,5]N[5,5]C[5]2)(C[5]C[5,5]HN)(C[6a]C[6a]2)(H){1|Cl<1>,2|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2{1|N<3>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	117.7810	0.000	1	117.7810	0.000	1	116.6760	2.442	2	117.4768	5.967	13	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	3:4:3:3:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	N[5,5]-3:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]2)(C[5]C[5,5]HN)(C[6a]C[6a]2)(H)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]2)(C[5]C[5,5]HN)(C[6a]C[6a]2)(H){2|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2{1|N<3>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>,3|N<3>}	115.5710	0.000	1	115.5710	0.000	1	116.6760	2.442	2	117.4768	5.967	13	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	3:4:4:1:	4:3:3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[3x5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5,6a]C[3x5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[3x5]C[5,5]N[5]O[5])(C[5]C[5,5]C[6a]H)(H)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5,6a]C[3x5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|N<3>,3|H<1>,7|C<3>}	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[3x5]C[5,5]N[5]O[5])(C[5]C[5,5]C[6a]H)(H){2|H<1>,9|C<3>}	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	118.5850	0.000	1	118.5850	0.000	1	118.5850	0.000	1	115.0375	2.485	25	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	3:4:4:1:	4:3:3:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5,5,6]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5,6]C[5,6a]H)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,6]2H)(C[5]C[5,6]C[6a]H)(H)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5,6]C[5,6a]H)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|F<1>,4|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,6]2H)(C[5]C[5,6]C[6a]H)(H){5|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	116.5200	0.000	1	116.5200	0.000	1	116.5200	0.000	1	115.0375	2.485	25	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	3:4:4:1:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CC)(C[6a]C[6a]2)(H)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]S[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CC)(C[6a]C[6a]2)(H){1|C<4>,1|S<2>,4|C<3>,4|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]S[5]HH)(H){1|C<2>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<2>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	115.8615	1.329	2	114.8900	1.900	4	114.8188	1.989	23	115.0375	2.485	25	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	3:4:4:1:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CC)(C[6a]C[6a]2)(H)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]S[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CC)(C[6a]C[6a]2)(H){1|C<4>,1|S<2>,4|C<3>,4|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]S[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	113.9185	0.401	2	114.8900	1.900	4	114.8188	1.989	23	115.0375	2.485	25	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	3:4:4:1:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	C[5,5](N[5,5]C[5,5]C[5,6])(C[5]C[6a]C[5]H)(C[5]C[5,6]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){1|Cl<1>,2|C<4>,3|H<1>,4|C<3>}	C[5,5](N[5,5]C[5,5]C[5,6])(C[5]C[6a]C[5]H)(C[5]C[5,6]HH)(H){2|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	114.3380	0.000	1	114.3380	0.000	1	114.8188	1.989	23	115.0375	2.485	25	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	3:4:4:1:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){1|Cl<1>,2|C<4>,3|H<1>,4|C<3>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	113.7010	0.000	1	113.7010	0.000	1	114.8188	1.989	23	115.0375	2.485	25	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	3:4:4:1:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,5|C<3>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){4|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	113.3460	0.000	1	114.5337	1.600	8	114.8188	1.989	23	115.0375	2.485	25	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	3:4:4:1:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,4|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	116.3610	0.000	1	114.5337	1.600	8	114.8188	1.989	23	115.0375	2.485	25	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	3:4:4:1:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,4|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	114.4272	1.130	6	114.5337	1.600	8	114.8188	1.989	23	115.0375	2.485	25	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	3:4:4:1:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]N[5a]N[6a])(C[6a]C[6a,6a]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]N[5a]N[6a])(C[6a]C[6a,6a]H){1|N<2>,1|N<3>,2|C<4>,2|H<1>,4|C<3>}	116.4690	0.000	1	116.4690	0.000	1	114.8188	1.989	23	115.0375	2.485	25	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	3:4:4:1:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]S[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){1|C<4>,1|S<2>,4|C<3>,4|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]S[5]HH)(H){3|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	115.9630	0.243	2	115.9630	0.059	2	114.8188	1.989	23	115.0375	2.485	25	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	3:4:4:1:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	C[5,5](N[5,5]C[5,5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){1|N<3>,4|H<1>,5|C<3>}	C[5,5](N[5,5]C[5,5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	114.2000	0.000	1	114.2000	0.000	1	114.8188	1.989	23	115.0375	2.485	25	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	3:4:4:1:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CN)(C[6a]C[6a]2)(H)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CN)(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,4|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|N<3>,3|C<4>,3|H<1>}	115.3840	1.089	2	115.3840	1.186	2	114.8188	1.989	23	115.0375	2.485	25	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	3:4:4:1:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,4|H<1>,5|C<3>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	115.8010	0.000	1	115.8010	0.000	1	114.8188	1.989	23	115.0375	2.485	25	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	3:4:4:1:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[5a]H)(C[6a]C[6a]2)(H)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[5a]H)(C[6a]C[6a]2)(H){1|Br<1>,1|O<2>,2|C<4>,3|H<1>,5|C<3>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	111.2130	0.000	1	111.2130	0.000	1	114.8188	1.989	23	115.0375	2.485	25	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	3:4:4:1:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,2|C<4>,4|C<3>,4|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	116.5860	0.000	1	116.5860	0.000	1	114.8188	1.989	23	115.0375	2.485	25	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	3:4:4:3:	4:3:3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(C[5]N[5]O)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H){1|Br<1>,2|N<3>,2|O<1>,3|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(C[5]N[5]O){3|H<1>,7|C<3>}	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	116.7170	0.000	1	116.7170	0.000	1	118.0598	4.308	5	116.5726	5.363	9	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	3:4:4:3:	4:3:3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(C[5]N[5]O)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H){2|N<3>,2|O<1>,4|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(C[5]N[5]O){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	116.8210	0.000	1	116.8210	0.000	1	118.0598	4.308	5	116.5726	5.363	9	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	3:4:4:3:	4:3:3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]3)(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(C[5]N[5]O)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]3)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,2|N<3>,2|O<1>,5|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,2|H<1>,7|C<3>}	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,5|C<3>}	118.2615	3.012	2	118.9203	5.837	3	118.0598	4.308	5	116.5726	5.363	9	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	3:4:4:3:	4:3:3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]3)(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(C[5]N[5]O)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]3)(C[6a]C[6a]2)(H){2|N<3>,2|O<1>,5|C<3>,8|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(C[5]N[5]O){2|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{2|H<1>,3|C<4>,4|C<3>}	120.2380	0.000	1	118.9203	5.837	3	118.0598	4.308	5	116.5726	5.363	9	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	3:4:4:3:	4:3:3:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(C[5]N[5]O)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,5|C<3>,6|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(C[5]N[5]O){2|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	115.4350	0.000	1	115.4350	0.000	1	115.4350	0.000	1	116.5726	5.363	9	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	3:4:4:3:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5,5]C[6a]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[5]N[5]O)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5,5]C[6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[5]N[5]O){2|C<4>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	114.5940	0.035	2	114.5940	0.001	2	114.5940	0.001	2	116.5726	5.363	9	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	3:4:4:3:	4:3:3:	C[5,5]-4:N[5,5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(N[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5,5]C[6a]H)(C[5]N[5,5]CH)(C[5]N[5]O)	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,5|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5,5]C[6a]H)(C[5]N[5,5]CH)(C[5]N[5]O){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	114.2310	0.000	1	114.2310	0.000	1	114.2310	0.000	1	116.5726	5.363	9	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	4:3:2:1:	4:3:3:	C[5,5,6]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:N[5,5]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5,5]N[5,5]S[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,5,6]C[6a]H)(N[5,5]C[3x5]C[5])(S[5]C[5])(H)	C[6a](C[5]C[5,5,6]C[5,5]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5,5]N[5,5]S[5]H)(C[6a]C[6a]2)(H){1|F<1>,1|N<3>,1|O<1>,3|C<4>,3|H<1>,4|C<3>}	C[5,5](C[5]C[5,5,6]C[6a]H)(N[5,5]C[3x5]C[5])(S[5]C[5])(H){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,5,6]C[5,5]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|N<3>,1|S<2>,2|C<3>,2|C<4>,3|H<1>}	115.4810	0.000	1	115.4810	0.000	1	115.0775	0.326	2	115.0775	0.326	2	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	4:3:2:1:	4:3:3:	C[5,5,6]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:N[5,5]-3:S[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5,5]N[5,5]S[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,5,6]C[6a]H)(N[5,5]C[3x5]C[5])(S[5]C[5])(H)	C[6a](C[5]C[5,5,6]C[5,5]H)(C[6a]C[6a]H)2	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5,5]N[5,5]S[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,3|C<4>,4|C<3>,4|H<1>}	C[5,5](C[5]C[5,5,6]C[6a]H)(N[5,5]C[3x5]C[5])(S[5]C[5])(H){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,5,6]C[5,5]H)(C[6a]C[6a]H)2{1|N<3>,1|S<2>,2|C<3>,2|C<4>,3|H<1>}	114.6740	0.000	1	114.6740	0.000	1	115.0775	0.326	2	115.0775	0.326	2	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	4:3:2:2:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-3:O[5]-2:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]O[5]2)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]H)(O[5]C[5])2	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]O[5]2)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,5|C<3>,5|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]H)(O[5]C[5])2{1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|O<2>,3|C<3>,3|H<1>}	114.1400	0.000	1	114.1400	0.000	1	114.1400	0.000	1	114.1400	0.000	1	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	4:3:3:1:	4:3:3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:N[5,5,6]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5,6]C[5]H)(C[5,5]C[5,6]C[5]2)(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5,6]C[5,6]2)(C[5]C[5]N[5])(H)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5,6]C[5]H)(C[5,5]C[5,6]C[5]2)(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,2|O<1>,3|H<1>,5|C<3>}	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5,6]C[5,6]2)(C[5]C[5]N[5])(H){1|C<4>,3|H<1>,7|C<3>}	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	117.2770	0.000	1	117.2770	0.000	1	117.2770	0.000	1	117.2770	0.000	1	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	4:3:3:2:	4:3:3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[5]-3:N[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2N[5])(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)(C[5]N[5]O)(N[5]C[5])	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2N[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<2>,2|O<1>,4|C<3>,4|H<1>}	C[5,5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)(C[5]N[5]O)(N[5]C[5]){1|H<1>,1|N<2>,3|C<3>,3|C<4>}	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{1|N<2>,2|C<4>,3|C<3>,3|H<1>}	114.2130	0.000	1	114.2130	0.000	1	114.2130	0.000	1	114.2130	0.000	1	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	4:3:3:3:	4:3:3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[5]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]3)(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,5]C[6a]H)(C[5]C[5]N)(C[5]N[5]C)(C[5]N[5]O)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]3)(C[6a]C[6a]2)(H){1|C<2>,1|C<4>,1|N<2>,2|H<1>,2|O<1>,3|N<3>,4|C<3>}	C[5,5](C[5]C[5,5]C[6a]H)(C[5]C[5]N)(C[5]N[5]C)(C[5]N[5]O){1|C<2>,5|C<3>}	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	118.2405	0.596	2	118.2405	0.355	2	119.1317	1.178	4	119.1317	1.178	4	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	4:3:3:3:	4:3:3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[5]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,5]C[5]3)(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,5]C[6a]H)(C[5]N[5]C)(C[5]N[5]O)(C[5]N[5]S)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,5]C[5]3)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|S<2>,2|H<1>,2|N<3>,2|O<1>,4|C<3>}	C[5,5](C[5]C[5,5]C[6a]H)(C[5]N[5]C)(C[5]N[5]O)(C[5]N[5]S){5|C<3>}	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,6|C<3>}	120.0230	0.000	2	120.0230	0.000	2	119.1317	1.178	4	119.1317	1.178	4	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	4:3:4:1:	4:3:3:	C[5,5,6]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,5,6]C[6a]H)(N[5,5]C[3x5]C[5])(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5,6]C[5,5]H)(C[6a]C[6a]H)2	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,3|C<3>,4|C<4>,6|H<1>}	C[5,5](C[5]C[5,5,6]C[6a]H)(N[5,5]C[3x5]C[5])(C[5]C[5]HH)(H){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,5,6]C[5,5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	116.4627	1.607	3	116.2474	1.483	5	115.9715	1.643	6	116.0355	2.103	41	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	4:3:4:1:	4:3:3:	C[5,5,6]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,5,6]C[6a]H)(N[5,5]C[3x5]C[5])(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5,6]C[5,5]H)(C[6a]C[6a]H)2	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,3|C<4>,4|C<3>,6|H<1>}	C[5,5](C[5]C[5,5,6]C[6a]H)(N[5,5]C[3x5]C[5])(C[5]C[5]HH)(H){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,5,6]C[5,5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	115.9245	0.647	2	116.2474	1.483	5	115.9715	1.643	6	116.0355	2.103	41	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	4:3:4:1:	4:3:3:	C[5,5,6]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,5,6]C[6a]H)(N[5,5]C[3x5]C[5])(C[5]S[5]HH)(H)	C[6a](C[5]C[5,5,6]C[5,5]H)(C[6a]C[6a]H)2	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|S<2>,2|C<4>,4|C<3>,6|H<1>}	C[5,5](C[5]C[5,5,6]C[6a]H)(N[5,5]C[3x5]C[5])(C[5]S[5]HH)(H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,5,6]C[5,5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	114.5920	0.000	1	114.5920	0.000	1	115.9715	1.643	6	116.0355	2.103	41	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	4:3:4:1:	4:3:3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|Cl<1>,2|C<4>,2|O<1>,3|H<1>,6|C<3>}	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){4|H<1>,6|C<3>}	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	116.0280	0.000	1	116.0280	0.000	1	115.6397	2.366	16	116.0355	2.103	41	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	4:3:4:1:	4:3:3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,5|C<3>,6|H<1>}	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	114.3703	2.119	3	114.3893	2.994	4	115.6397	2.366	16	116.0355	2.103	41	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	4:3:4:1:	4:3:3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){2|C<4>,2|O<1>,4|H<1>,6|C<3>}	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){4|H<1>,6|C<3>}	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	114.4460	0.000	1	114.3893	2.994	4	115.6397	2.366	16	116.0355	2.103	41	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	4:3:4:1:	4:3:3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|Cl<1>,1|C<4>,1|O<1>,2|S<2>,5|C<3>,5|H<1>}	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	116.0910	0.000	1	116.0910	0.000	1	115.6397	2.366	16	116.0355	2.103	41	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	4:3:4:1:	4:3:3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,1|S<2>,5|H<1>,6|C<3>}	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	115.7340	0.000	1	115.7340	0.000	1	115.6397	2.366	16	116.0355	2.103	41	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	4:3:4:1:	4:3:3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,5|C<3>,6|H<1>}	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	116.7880	0.000	1	116.8932	0.778	6	115.6397	2.366	16	116.0355	2.103	41	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	4:3:4:1:	4:3:3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|S<2>,6|C<3>,6|H<1>}	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	116.9142	0.984	5	116.8932	0.778	6	115.6397	2.366	16	116.0355	2.103	41	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	4:3:4:1:	4:3:3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]N[5])(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]N[5])(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,1|S<2>,4|H<1>,5|C<3>}	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|N<2>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{1|Cl<1>,1|N<2>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	115.8070	0.000	1	115.8070	0.000	1	115.6397	2.366	16	116.0355	2.103	41	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	4:3:4:1:	4:3:3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]S[5])(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]S[5])(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|Cl<1>,1|N<3>,1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){1|S<2>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,1|S<2>,2|C<3>,2|C<4>,3|H<1>}	113.8300	0.000	2	113.8300	0.000	2	115.6397	2.366	16	116.0355	2.103	41	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	4:3:4:1:	4:3:3:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,5|C<3>,6|H<1>}	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	116.9580	0.795	2	116.3027	1.604	3	116.3891	1.973	19	116.0355	2.103	41	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	4:3:4:1:	4:3:3:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,5|C<3>,6|H<1>}	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	114.9920	0.000	1	116.3027	1.604	3	116.3891	1.973	19	116.0355	2.103	41	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	4:3:4:1:	4:3:3:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H){1|Cl<1>,1|C<4>,1|N<3>,1|O<1>,1|S<2>,5|C<3>,5|H<1>}	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>,3|C<4>}	113.3340	0.000	1	113.3340	0.000	1	116.3891	1.973	19	116.0355	2.103	41	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	4:3:4:1:	4:3:3:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,5|C<3>,6|H<1>}	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	117.2632	0.523	6	116.7745	0.991	10	116.3891	1.973	19	116.0355	2.103	41	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	4:3:4:1:	4:3:3:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,1|S<2>,5|C<3>,6|H<1>}	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	117.4720	0.000	1	116.7745	0.991	10	116.3891	1.973	19	116.0355	2.103	41	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	4:3:4:1:	4:3:3:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H){1|O<1>,1|S<2>,2|C<4>,5|C<3>,6|H<1>}	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|C<4>,1|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	115.6480	0.000	1	116.7745	0.991	10	116.3891	1.973	19	116.0355	2.103	41	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	4:3:4:1:	4:3:3:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H){1|O<1>,1|S<2>,2|C<4>,5|C<3>,6|H<1>}	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	115.5230	1.109	2	116.7745	0.991	10	116.3891	1.973	19	116.0355	2.103	41	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	4:3:4:1:	4:3:3:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,6]C[5])(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,3|C<3>,7|H<1>}	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,6]C[5])(C[5]C[5]HH)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	116.1170	0.000	1	116.5443	4.916	3	116.3891	1.973	19	116.0355	2.103	41	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	4:3:4:1:	4:3:3:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,6]C[5])(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,3|C<3>,7|H<1>}	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,6]C[5])(C[5]C[5]HH)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	116.7580	3.091	2	116.5443	4.916	3	116.3891	1.973	19	116.0355	2.103	41	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	4:3:4:1:	4:3:3:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,6]C[5])(C[5]S[5]HH)(H)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,1|S<2>,3|C<3>,7|H<1>}	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,6]C[5])(C[5]S[5]HH)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	116.9200	0.000	1	116.9200	0.000	1	116.3891	1.973	19	116.0355	2.103	41	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	4:3:4:1:	4:3:3:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]S[6]H)(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,6]C[5])(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]S[6]H)(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,2|O<1>,3|C<3>,5|H<1>}	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,6]C[5])(C[5]C[5]HH)(H){1|S<4>,3|C<3>,6|H<1>}	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|S<4>,2|C<4>,4|H<1>}	114.8520	0.000	1	114.8520	0.000	1	116.3891	1.973	19	116.0355	2.103	41	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	4:3:4:3:	4:3:3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]N[5]O)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H){2|N<3>,2|O<1>,3|H<1>,7|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]N[5]O){1|N<3>,1|O<1>,3|H<1>,9|C<3>}	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	114.5830	0.000	1	114.5830	0.000	1	113.8860	0.972	2	117.2681	4.374	15	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	4:3:4:3:	4:3:3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5,6a]C[3x5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]N[5]O)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5,6a]C[3x5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|N<3>,3|H<1>,7|C<3>}	C[5,5](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<2>,2|H<1>,7|C<3>}	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	113.1890	0.000	1	113.1890	0.000	1	113.8860	0.972	2	117.2681	4.374	15	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	4:3:4:3:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,8|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,7|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|H<1>,4|C<3>}	118.6485	2.485	2	118.0464	2.971	9	118.0464	2.971	9	117.2681	4.374	15	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	4:3:4:3:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,8|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O){1|N<3>,1|O<1>,2|H<1>,8|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|H<1>,4|C<3>}	117.8744	1.666	7	118.0464	2.971	9	118.0464	2.971	9	117.2681	4.374	15	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	4:3:4:3:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(C[6a]C[6a]2)(H)	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O){1|C<2>,1|C<4>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<2>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	116.1090	0.000	1	115.8475	0.137	2	115.8475	0.137	2	117.2681	4.374	15	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	4:3:4:3:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(C[6a]C[6a]2)(H)	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O){1|C<4>,3|H<1>,7|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	115.5860	0.000	1	115.8475	0.137	2	115.8475	0.137	2	117.2681	4.374	15	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	4:3:4:3:	4:3:3:	C[5,6]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:N[5]-3:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]2N[5])(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]H)(C[5]C[5]HH)(C[5]O[5]O)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]2N[5])(C[6a]C[6a]2)(H){1|C<4>,2|O<1>,2|O<2>,3|C<3>,6|H<1>}	C[5,5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]H)(C[5]C[5]HH)(C[5]O[5]O){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>,3|C<4>}	118.5685	0.783	2	118.5685	0.613	2	118.5685	0.613	2	117.2681	4.374	15	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[3x5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]2N[5,5])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[3x5]C[5,5]N[5,5]H)(C[5]C[5,5]C[6a]H)(C[5]O[5]O)(H)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]2N[5,5])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,6|C<3>}	C[5,5](C[3x5]C[5,5]N[5,5]H)(C[5]C[5,5]C[6a]H)(C[5]O[5]O)(H){3|C<4>,4|C<3>}	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	118.5640	0.000	1	118.5640	0.000	1	118.5640	0.000	1	116.2884	2.861	11	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]N[5]O)(H)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H){1|N<2>,2|C<4>,2|N<3>,2|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,5|C<3>}	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	117.3830	0.000	1	117.3830	0.000	1	117.7335	0.246	2	116.2884	2.861	11	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]N[5]O)(H)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H){2|N<3>,2|O<1>,3|H<1>,7|C<3>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]N[5]O)(H){1|O<1>,7|C<3>}	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	118.0840	0.000	1	118.0840	0.000	1	117.7335	0.246	2	116.2884	2.861	11	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,5]C[6a]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H){1|Br<1>,2|N<3>,2|O<1>,3|H<1>,6|C<3>}	C[5,5](C[5]C[5,5]C[6a]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,6|C<3>}	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	116.9260	0.000	1	116.9260	0.000	1	117.0920	0.055	2	116.2884	2.861	11	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,5]C[6a]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H){2|N<3>,2|O<1>,4|H<1>,6|C<3>}	C[5,5](C[5]C[5,5]C[6a]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,6|C<3>}	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	117.2580	0.000	1	117.2580	0.000	1	117.0920	0.055	2	116.2884	2.861	11	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[4,5]-4:C[5]-4:N[5,5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[4,5]N[5,5]H)(C[5,6]C[6]2O[5])(C[6a]C[6a]2)(H)	C[5,5](C[4,5]C[4,5]N[4]H)(C[5]C[5,6]C[6a]H)(N[5,5]C[5]O[5])(H)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[4,5]N[5,5]H)(C[5,6]C[6]2O[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[5,5](C[4,5]C[4,5]N[4]H)(C[5]C[5,6]C[6a]H)(N[5,5]C[5]O[5])(H){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	116.8120	0.000	1	116.6645	0.044	2	116.6645	0.044	2	116.2884	2.861	11	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[4,5]-4:C[5]-4:N[5,5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[4,5]N[5,5]H)(C[5,6]C[6]2O[5])(C[6a]C[6a]2)(H)	C[5,5](C[4,5]C[4,5]N[4]H)(C[5]C[5,6]C[6a]H)(N[5,5]C[5]O[5])(H)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[4,5]N[5,5]H)(C[5,6]C[6]2O[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,3|C<3>,3|C<4>,5|H<1>}	C[5,5](C[4,5]C[4,5]N[4]H)(C[5]C[5,6]C[6a]H)(N[5,5]C[5]O[5])(H){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	116.5170	0.000	1	116.6645	0.044	2	116.6645	0.044	2	116.2884	2.861	11	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[3x5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H)	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]C[6a]C[5]H)(C[5]C[5]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|H<1>,6|C<3>}	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]C[6a]C[5]H)(C[5]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	113.7730	0.000	1	113.7730	0.000	1	113.7730	0.000	1	116.2884	2.861	11	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,5]C[5,5a]C[5]O)(C[5]C[6a]C[5]H)(C[5]N[5,5a]O)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,5a]C[5]O)(C[5]C[6a]C[5]H)(C[5]N[5,5a]O)(H){3|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	114.3510	0.000	1	114.3510	0.000	1	114.6183	1.319	3	116.2884	2.861	11	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,5]C[6a]C[5]2)(C[5]C[6a]C[5]H)(C[5]C[5]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,6|C<3>}	C[5,5](C[5,5]C[6a]C[5]2)(C[5]C[6a]C[5]H)(C[5]C[5]H)(H){2|C<2>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	113.6270	0.000	1	113.6270	0.000	1	114.6183	1.319	3	116.2884	2.861	11	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,5]C[6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,5|H<1>,6|C<3>}	C[5,5](C[5,5]C[6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5]H)(H){1|S<4>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	115.8770	0.000	1	115.8770	0.000	1	114.6183	1.319	3	116.2884	2.861	11	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	4:4:3:2:	4:3:3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:N[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]N[5])(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5]O[5]O)(N[5]C[5])	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]N[5])(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,1|S<2>,4|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5]O[5]O)(N[5]C[5]){1|H<1>,1|O<1>,2|C<4>,6|C<3>}	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{1|Cl<1>,1|N<2>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	115.6180	0.000	1	115.6180	0.000	1	115.6180	0.000	1	117.1578	1.061	5	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	4:4:3:2:	4:3:3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]S[5])(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(S[5]C[5,5])	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]S[5])(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|Cl<1>,1|N<3>,1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(S[5]C[5,5]){1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<4>,4|C<3>}	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,1|S<2>,2|C<3>,2|C<4>,3|H<1>}	117.0350	0.000	2	117.0350	0.000	2	117.5427	0.427	4	117.1578	1.061	5	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	4:4:3:2:	4:3:3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(H)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]N[5]O)(S[5]C[5])	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,2|C<4>,2|O<1>,3|H<1>,5|C<3>}	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]N[5]O)(S[5]C[5]){1|S<1>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|S<2>,2|H<1>,4|C<3>}	118.4030	0.000	1	118.0505	0.249	2	117.5427	0.427	4	117.1578	1.061	5	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	4:4:3:2:	4:3:3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(H)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]N[5]O)(S[5]C[5])	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(H){2|C<4>,2|N<3>,2|O<1>,3|H<1>,5|C<3>}	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]N[5]O)(S[5]C[5]){1|S<1>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|S<2>,2|H<1>,4|C<3>}	117.6980	0.000	1	118.0505	0.249	2	117.5427	0.427	4	117.1578	1.061	5	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	4:4:3:3:	4:3:3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,5]C[5,5]C[5]2)(C[5]C[5,5]C[6a]H)(C[5]N[5]C)(C[5]N[5]O)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H){1|N<2>,2|C<4>,2|N<3>,2|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,5]C[5]2)(C[5]C[5,5]C[6a]H)(C[5]N[5]C)(C[5]N[5]O){1|N<3>,1|O<1>,4|H<1>,6|C<3>}	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	111.4780	0.000	1	111.4780	0.000	1	115.4963	15.699	3	116.5807	4.547	19	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	4:4:3:3:	4:3:3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,5]C[5,6a]2N[5,5])(C[5]C[5,5]C[6a]H)(C[5]C[5,6a]O)2	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){2|C<4>,2|O<1>,4|H<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]2N[5,5])(C[5]C[5,5]C[6a]H)(C[5]C[5,6a]O)2{1|H<1>,1|N<2>,2|C<4>,7|C<3>}	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	119.4000	0.000	1	119.4000	0.000	1	115.4963	15.699	3	116.5807	4.547	19	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	4:4:3:3:	4:3:3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5]C[5,6a]O)2	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|Cl<1>,2|C<4>,2|O<1>,3|H<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5]C[5,6a]O)2{1|H<1>,1|N<3>,1|O<1>,2|C<4>,6|C<3>}	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	115.6110	0.000	1	115.6110	0.000	1	115.4963	15.699	3	116.5807	4.547	19	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	4:4:3:3:	4:3:3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5,6]C[5]H)(C[5,5]C[5,6]C[5]2)(C[6a]C[6a]2)(H)	C[5,5](C[5,6]N[5,5,6]C[6]H)(C[5]C[5,5]C[6a]H)(C[5]C[5,6a]O)2	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5,6]C[5]H)(C[5,5]C[5,6]C[5]2)(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,2|O<1>,3|H<1>,5|C<3>}	C[5,5](C[5,6]N[5,5,6]C[6]H)(C[5]C[5,5]C[6a]H)(C[5]C[5,6a]O)2{1|C<4>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	114.4320	0.000	1	114.4320	0.000	1	114.4320	0.000	1	116.5807	4.547	19	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	4:4:3:3:	4:3:3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]3)(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,5]C[6a]H)(C[5]C[6a]C[5]H)(C[5]N[5]C)(C[5]N[5]O)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]3)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,2|N<3>,2|O<1>,5|C<3>,5|H<1>}	C[5,5](C[5]C[5,5]C[6a]H)(C[5]C[6a]C[5]H)(C[5]N[5]C)(C[5]N[5]O){2|H<1>,7|C<3>}	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,5|C<3>}	117.5020	3.077	2	117.5020	9.470	2	117.7150	7.109	4	116.5807	4.547	19	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	4:4:3:3:	4:3:3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]3)2(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(C[5]N[5]C)(C[5]N[5]O)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]3)2(C[6a]C[6a]2)(H){2|C<4>,2|N<2>,2|N<3>,2|O<1>,4|C<3>,4|H<1>}	C[5,5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(C[5]N[5]C)(C[5]N[5]O){1|H<1>,6|C<3>}	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,5|C<3>}	120.3440	0.000	1	120.3440	0.000	1	117.7150	7.109	4	116.5807	4.547	19	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	4:4:3:3:	4:3:3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]3)2(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,5]C[6a]H)(C[5]C[6a]C[5]H)(C[5]N[5]C)(C[5]N[5]O)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]3)2(C[6a]C[6a]2)(H){2|C<4>,2|N<2>,2|N<3>,2|O<1>,4|C<3>,4|H<1>}	C[5,5](C[5]C[5,5]C[6a]H)(C[5]C[6a]C[5]H)(C[5]N[5]C)(C[5]N[5]O){1|H<1>,8|C<3>}	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,5|C<3>}	115.5120	0.000	1	115.5120	0.000	1	117.7150	7.109	4	116.5807	4.547	19	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	4:4:3:3:	4:3:3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]O)(C[5,5]C[5]2N[5])(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]C[6a]H)(C[5]C[5,6a]O)(N[5]C[5,6a]H)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]O)(C[5,5]C[5]2N[5])(C[6a]C[6a]2)(H){2|O<1>,4|H<1>,7|C<3>}	C[5,5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]C[6a]H)(C[5]C[5,6a]O)(N[5]C[5,6a]H){1|O<2>,8|C<3>}	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,2|N<3>,3|C<3>}	117.9290	0.000	1	117.9290	0.000	1	117.9290	0.000	1	116.5807	4.547	19	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	4:4:3:3:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]2)(C[5]N[5,5]C[6a]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]2)(C[5]N[5,5]C[6a]H)(C[6a]C[6a]2)(H){1|C<4>,2|O<1>,3|H<1>,7|C<3>}	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2{1|H<1>,2|C<4>,6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	116.8225	0.402	2	116.8225	0.162	2	116.8225	0.162	2	116.5807	4.547	19	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	4:4:3:3:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6]C[5]2)(C[5]N[5,6]CH)(C[6a]C[6a]2)(H)	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6]C[5]2)(C[5]N[5,6]CH)(C[6a]C[6a]2)(H){1|C<4>,2|O<1>,3|H<1>,5|C<3>}	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2{1|C<2>,1|C<4>,1|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<2>,1|N<3>,2|C<4>,2|H<1>,3|C<3>}	118.5650	0.000	1	118.5650	0.000	1	116.4272	3.373	5	116.5807	4.547	19	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	4:4:3:3:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6]C[5]2)(C[5]N[5,6]CH)(C[6a]C[6a]2)(H)	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[6a]C[5]H)(C[5]N[5]C)(C[5]N[5]O)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6]C[5]2)(C[5]N[5,6]CH)(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[6a]C[5]H)(C[5]N[5]C)(C[5]N[5]O){1|C<2>,1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<2>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	115.8928	1.610	4	115.8928	2.593	4	116.4272	3.373	5	116.5807	4.547	19	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	4:4:3:3:	4:3:3:	C[5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5]CH)(C[5,5]C[5]3)(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,5]C[6a]H)(C[5]C[6a]C[5]H)(C[5]N[5]C)(C[5]N[5]O)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]CH)(C[5,5]C[5]3)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5,5](C[5]C[5,5]C[6a]H)(C[5]C[6a]C[5]H)(C[5]N[5]C)(C[5]N[5]O){1|H<1>,8|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	116.2520	0.000	1	116.2520	0.000	1	116.5140	0.052	3	116.5807	4.547	19	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	4:4:3:3:	4:3:3:	C[5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5]HH)(C[5,5]C[5]3)(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,5]C[6a]H)(C[5]C[6a]C[5]H)(C[5]N[5]C)(C[5]N[5]O)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]HH)(C[5,5]C[5]3)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5,5](C[5]C[5,5]C[6a]H)(C[5]C[6a]C[5]H)(C[5]N[5]C)(C[5]N[5]O){2|H<1>,7|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	116.6450	0.020	2	116.6450	0.000	2	116.5140	0.052	3	116.5807	4.547	19	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2N[5])(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,5]C[6a]H)(C[5,5]C[5]2C)(C[5]O[5]HH)(H)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2N[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<2>,2|O<1>,4|C<3>,4|H<1>}	C[5,5](C[5]C[5,5]C[6a]H)(C[5,5]C[5]2C)(C[5]O[5]HH)(H){1|N<2>,2|O<1>,3|C<3>}	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{1|N<2>,2|C<4>,3|C<3>,3|H<1>}	116.5730	0.000	1	116.5730	0.000	1	116.5730	0.000	1	114.5548	1.781	9	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,5]C[5,5a]N[5,6]H)(C[5]C[5,6]C[6a]H)(C[5]N[5,5a]HH)(H)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,4|C<3>,7|H<1>}	C[5,5](C[5,5]C[5,5a]N[5,6]H)(C[5]C[5,6]C[6a]H)(C[5]N[5,5a]HH)(H){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	114.8030	0.000	1	114.8030	0.000	1	114.8030	0.000	1	114.5548	1.781	9	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:S[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]S[5]H)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]C[6a]H)(S[5]C[5]OO)(H)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]S[5]H)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,2|O<1>,5|C<3>,5|H<1>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]C[6a]H)(S[5]C[5]OO)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,3|C<4>,4|H<1>}	115.3450	0.000	1	115.3450	0.000	1	115.3450	0.000	1	114.5548	1.781	9	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H)	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]C[6a]C[5]H)(C[5]N[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<2>,4|H<1>,6|C<3>}	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]C[6a]C[5]H)(C[5]N[5]HH)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	114.0550	0.000	1	114.0550	0.000	1	114.0550	0.000	1	114.5548	1.781	9	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	C[5,5](C[5,5]C[5,5]N[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){1|Br<1>,1|N<3>,4|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,5]N[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	112.9490	0.000	1	112.9490	0.000	1	114.5017	3.168	3	114.5548	1.781	9	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H){1|Cl<1>,1|O<2>,2|C<4>,3|H<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(H){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	116.4440	0.000	1	116.4440	0.000	1	114.5017	3.168	3	114.5548	1.781	9	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|H<1>,7|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(H){1|C<4>,1|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,4|H<1>}	114.1120	0.000	1	114.1120	0.000	1	114.5017	3.168	3	114.5548	1.781	9	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	N[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	C[5,5](N[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){1|Br<1>,2|C<4>,4|C<3>,4|H<1>}	C[5,5](N[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<4>,2|C<3>,2|C<4>,4|H<1>}	113.3560	0.156	2	113.3560	0.024	2	113.3560	0.024	2	114.5548	1.781	9	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	4:4:4:3:	4:3:3:	C[3,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[5]-4:N[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[3,5]C[3,5]O[3]C)(C[5,5]C[5]2N[5])(C[6a]C[6a]2)(H)	C[5,5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]HH)(C[5]C[5]HH)(N[5]C[5]C)	C[6a](C[5]C[3,5]C[5,5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]C)	C[5](C[3,5]C[3,5]O[3]C)(C[5,5]C[5]2N[5])(C[6a]C[6a]2)(H){2|C<3>,4|C<4>,6|H<1>}	C[5,5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]HH)(C[5]C[5]HH)(N[5]C[5]C){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6a](C[5]C[3,5]C[5,5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]C){1|C<3>,1|H<1>,1|N<3>,2|O<2>,4|C<4>}	117.2370	0.000	1	117.2370	0.000	1	117.2370	0.000	1	116.5585	1.893	20	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	4:4:4:3:	4:3:3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|S<2>,6|C<3>,6|H<1>}	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O){1|H<1>,1|O<1>,2|C<4>,7|C<3>}	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	115.7370	0.000	1	115.7370	0.000	1	116.7832	0.785	12	116.5585	1.893	20	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	4:4:4:3:	4:3:3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(C[5]N[5]O)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,5|C<3>,6|H<1>}	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(C[5]N[5]O){1|H<1>,1|N<3>,2|C<4>,2|O<1>,5|C<3>}	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	116.7220	0.000	1	117.3367	0.311	4	116.7832	0.785	12	116.5585	1.893	20	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	4:4:4:3:	4:3:3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(C[5]N[5]O)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,5|C<3>,6|H<1>}	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(C[5]N[5]O){1|H<1>,1|N<3>,2|C<4>,2|O<1>,5|C<3>}	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	117.5417	0.463	3	117.3367	0.311	4	116.7832	0.785	12	116.5585	1.893	20	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	4:4:4:3:	4:3:3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5]S[5]HH)(C[5]C[5]O)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|Cl<1>,1|C<4>,1|O<1>,2|S<2>,5|C<3>,5|H<1>}	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5]S[5]HH)(C[5]C[5]O){1|H<1>,1|N<3>,1|O<1>,2|C<4>,5|C<3>}	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	115.0900	0.000	1	115.0900	0.000	1	116.7832	0.785	12	116.5585	1.893	20	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	4:4:4:3:	4:3:3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,5]N[5,5]C[5]2)(C[5]C[5,5]C[6a]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,1|S<2>,5|H<1>,6|C<3>}	C[5,5](C[5,5]N[5,5]C[5]2)(C[5]C[5,5]C[6a]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O){1|H<1>,2|C<4>,2|O<1>,6|C<3>}	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	117.5810	0.000	1	117.5810	0.000	1	116.7832	0.785	12	116.5585	1.893	20	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	4:4:4:3:	4:3:3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,5]N[5,5]C[5]2)(C[5]C[5,5]C[6a]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]2)(C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|S<2>,6|C<3>,6|H<1>}	C[5,5](C[5,5]N[5,5]C[5]2)(C[5]C[5,5]C[6a]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O){1|H<1>,2|C<4>,2|O<1>,6|C<3>}	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	116.6808	0.778	4	116.6808	0.605	4	116.7832	0.785	12	116.5585	1.893	20	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	4:4:4:3:	4:3:3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(H)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(C[5]N[5]O)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(H){2|C<4>,2|N<3>,2|O<1>,5|C<3>,5|H<1>}	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(C[5]N[5]O){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,2|H<1>,4|C<3>}	116.9210	0.000	1	116.9210	0.000	1	116.7832	0.785	12	116.5585	1.893	20	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	4:4:4:3:	4:3:3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]N[5,6]C[5])(C[5,5]C[5,6]C[5]2)(C[6a]C[6a]2)(H)	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(C[5]N[5]O)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]N[5,6]C[5])(C[5,5]C[5,6]C[5]2)(C[6a]C[6a]2)(H){1|C<4>,2|N<3>,2|O<1>,5|H<1>,6|C<3>}	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|O<1>,7|C<3>}	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,2|H<1>,4|C<3>}	120.5230	0.000	1	120.5230	0.000	1	120.5230	0.000	1	116.5585	1.893	20	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	4:4:4:3:	4:3:3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]3)(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(C[5]N[5]HH)(C[5]C[5]O)	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]3)(C[6a]C[6a]2)(H){2|N<3>,2|O<1>,5|C<3>,8|H<1>}	C[5,5](C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(C[5]N[5]HH)(C[5]C[5]O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,5]2H)(C[6a]C[6a]H)2{2|H<1>,3|C<4>,4|C<3>}	115.6390	0.000	1	115.6390	0.000	1	115.6390	0.000	1	116.5585	1.893	20	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	4:4:4:3:	4:3:3:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]C)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,5]C[5,5a]N[5,6]H)(C[5]C[5,6]C[6a]H)(C[5]N[5,5a]HH)(COO)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]C)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,3|C<3>,7|H<1>}	C[5,5](C[5,5]C[5,5a]N[5,6]H)(C[5]C[5,6]C[6a]H)(C[5]N[5,5a]HH)(COO){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	114.6295	0.230	2	114.6295	0.053	2	114.6295	0.053	2	116.5585	1.893	20	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	4:4:4:3:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]2)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]2)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>,7|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O){1|C<4>,2|H<1>,7|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	115.7840	0.000	1	115.7840	0.000	1	115.6850	0.020	2	116.5585	1.893	20	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	4:4:4:3:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|O<1>,5|H<1>,8|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O){1|N<3>,1|O<1>,2|H<1>,7|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	115.5860	0.000	1	115.5860	0.000	1	115.6850	0.020	2	116.5585	1.893	20	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	4:4:4:3:	4:3:3:	C[5,6]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(H)	C[5,5](C[5,5]C[5,6a]N[5,6]C[5])(C[5]C[5,6]C[6a]H)(C[5]C[5]HH)(C[5]N[5]O)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,7|C<3>}	C[5,5](C[5,5]C[5,6a]N[5,6]C[5])(C[5]C[5,6]C[6a]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,2|O<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	115.7440	0.000	1	115.7440	0.000	1	115.7440	0.000	1	116.5585	1.893	20	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:1:	4:4:4:4:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]2)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H)	C[5,5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]HO)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]2)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H){1|Cl<1>,1|C<4>,2|O<2>,5|H<1>,7|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]HO){1|C<4>,2|H<1>,7|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<3>,3|H<1>,4|C<4>}	120.5650	0.000	1	120.5650	0.000	1	120.5650	0.000	1	120.5650	0.000	1	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:2:	3:4:4:3:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]HH)(C[6a]C[6a]2)(OH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(C[5]C[5,5]CH)(C[5]N[5]O)	C[6a](C[5]C[5,5]C[5]O)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]HH)(C[6a]C[6a]2)(OH){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(C[5]C[5,5]CH)(C[5]N[5]O){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5]O)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	114.6700	0.329	3	113.5903	3.455	6	113.3461	2.297	9	113.3461	2.297	9	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:2:	3:4:4:3:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]HH)(C[6a]C[6a]2)(OH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(C[5]C[5,5]CH)(C[5]N[5]O)	C[6a](C[5]C[5,5]C[5]O)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]HH)(C[6a]C[6a]2)(OH){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(C[5]C[5,5]CH)(C[5]N[5]O){3|H<1>,7|C<3>}	C[6a](C[5]C[5,5]C[5]O)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	112.5107	2.243	3	113.5903	3.455	6	113.3461	2.297	9	113.3461	2.297	9	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:2:	3:4:4:3:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]HO)(C[6a]C[6a]2)(OH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(C[5]C[5,5]CH)(C[5]N[5]O)	C[6a](C[5]C[5,5]C[5]O)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]HO)(C[6a]C[6a]2)(OH){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(C[5]C[5,5]CH)(C[5]N[5]O){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5]O)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	112.9120	0.091	2	112.8577	0.013	3	113.3461	2.297	9	113.3461	2.297	9	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:2:	3:4:4:3:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]HO)(C[6a]C[6a]2)(OH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(C[5]C[5,5]CH)(C[5]N[5]O)	C[6a](C[5]C[5,5]C[5]O)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]HO)(C[6a]C[6a]2)(OH){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(C[5]C[5,5]CH)(C[5]N[5]O){1|O<2>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5]O)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	112.7490	0.000	1	112.8577	0.013	3	113.3461	2.297	9	113.3461	2.297	9	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:3:	4:4:4:1:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:C-3:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[3,5]HH)(C[6a]C[6a]2)(COO)	C[5,5](C[5,5]C[3,5]C[5]H)(C[5]C[6a]C[5]C)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[3,5]HH)(C[6a]C[6a]2)(COO){3|C<3>,3|C<4>,5|H<1>}	C[5,5](C[5,5]C[3,5]C[5]H)(C[5]C[6a]C[5]C)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5]C[5,5]C[5]C)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,5|H<1>}	113.7130	0.000	1	113.7130	0.000	1	113.7130	0.000	1	113.7130	0.000	1	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,5]	C[6a]	4:4:3:4:	3:4:4:3:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:C-4:	N[5,5a]-3:C[5]-4:C[5]-4:N[5]-3:	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[5,5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]C)(C[5]C[5,6a]HH)(N[5]C[5,6a]H)	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[5,5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]C)(C[5]C[5,6a]HH)(N[5]C[5,6a]H){1|C<4>,8|C<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>}	109.3470	0.000	1	109.3470	0.000	1	109.3470	0.000	1	109.3470	0.000	1	115.5183	4.186	753	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6,6]	C[6a]	4:3:2:2:	4:4:4:1:	4:3:3:	C[5,6,6]-4:C[6a]-3:O[5]-2:O-2:	C[5,5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6,6]C[5,5,6,6]C[3x6]H)(C[6a]C[6a]2)(O[5]C[5,5])(OH)	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[3x6]C[6,6]2H)(C[5]C[6a]O[5]O)(H)	C[6a](C[5]C[5,6,6]O[5]O)(C[6a]C[6a]H)2	C[5](C[5,6,6]C[5,5,6,6]C[3x6]H)(C[6a]C[6a]2)(O[5]C[5,5])(OH){2|C<3>,4|H<1>,5|C<4>}	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[3x6]C[6,6]2H)(C[5]C[6a]O[5]O)(H){2|C<3>,4|C<4>,5|H<1>}	C[6a](C[5]C[5,6,6]O[5]O)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	117.4530	0.000	1	117.4530	0.000	1	117.4530	0.000	1	117.4530	0.000	1	116.9063	22.253	7	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6,6]	C[6a]	4:3:3:2:	4:4:4:1:	4:3:3:	C[5,6,6]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5,5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6,6]C[5,5,6,6]C[3x6]H)(C[6a]C[6a]2)2(O[5]C[5,5])	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[3x6]C[6,6]2H)(C[5]C[6a]2O[5])(H)	C[6a](C[5]C[5,6,6]C[6a]O[5])(C[6a]C[6a]H)2	C[5](C[5,6,6]C[5,5,6,6]C[3x6]H)(C[6a]C[6a]2)2(O[5]C[5,5]){1|O<2>,4|C<3>,4|C<4>,6|H<1>}	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[3x6]C[6,6]2H)(C[5]C[6a]2O[5])(H){1|O<2>,3|C<4>,4|C<3>,5|H<1>}	C[6a](C[5]C[5,6,6]C[6a]O[5])(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	113.8105	0.599	2	113.8105	0.359	2	113.8105	0.359	2	113.8105	0.359	2	116.9063	22.253	7	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6,6]	C[6a]	4:3:4:1:	3:4:4:1:	4:3:3:	C[5,6,6]-4:C[6a]-3:S[5]-4:H-1:	C[5,6,6]-3:C[6,6]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[6a]C[6a]2)(S[5]C[5]OO)(H)	C[5,6,6](C[5,6,6]C[4,6,6]C[5])(C[6,6]C[4,6,6]HH)(C[5]C[6a]S[5]H)(H)	C[6a](C[5]C[5,6,6]S[5]H)(C[6a]C[6a]O)2	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[6a]C[6a]2)(S[5]C[5]OO)(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5,6,6](C[5,6,6]C[4,6,6]C[5])(C[6,6]C[4,6,6]HH)(C[5]C[6a]S[5]H)(H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[6a](C[5]C[5,6,6]S[5]H)(C[6a]C[6a]O)2{1|C<4>,2|H<1>,2|O<1>,4|C<3>}	122.4730	0.366	2	122.4730	0.134	2	122.4730	0.134	2	122.4730	0.134	2	116.9063	22.253	7	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6,6]	C[6a]	4:3:4:1:	3:4:4:3:	4:3:3:	C[5,6,6]-4:C[6a]-3:C[5]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[5]-4:N[5,6]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6,6]C[6,6a]C[6,6]N[5,6])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[5]C[6a]C[5]H)(N[5,6]C[5]C[6])	C[6a](C[5]C[5,6,6]C[5]H)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[5](C[5,6,6]C[6,6a]C[6,6]N[5,6])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,3|C<4>,5|C<3>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[5]C[6a]C[5]H)(N[5,6]C[5]C[6]){1|C<4>,1|O<1>,6|C<3>,7|H<1>}	C[6a](C[5]C[5,6,6]C[5]H)(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<4>,4|C<3>,5|H<1>}	118.4350	0.000	1	118.4350	0.000	1	118.4350	0.000	1	118.4350	0.000	1	116.9063	22.253	7	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6,6]	C[6a]	4:3:4:1:	4:4:4:1:	3:4:3:	C[5,6,6]-4:C[6a]-3:C[5]-4:H-1:	N[5,3x6]-4:C[5]-4:C[6,6]-4:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6,6]N[5,3x6]C[6,6]H)(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(H)	C[5,6,6](N[5,3x6]C[6,6]2C[5])(C[5]C[6a]C[5]H)(C[6,6]C[3x6]HH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6,6]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6,6]N[5,3x6]C[6,6]H)(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(H){3|C<3>,3|C<4>,5|H<1>}	C[5,6,6](N[5,3x6]C[6,6]2C[5])(C[5]C[6a]C[5]H)(C[6,6]C[3x6]HH)(H){2|C<3>,2|C<4>,9|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6,6]C[5]H)(C[6a]C[6a]H){1|N<2>,1|N<4>,2|C<3>,2|C<4>,5|H<1>}	109.8890	0.000	1	109.8890	0.000	1	109.8890	0.000	1	109.8890	0.000	1	116.9063	22.253	7	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	3:4:2:1:	4:3:4:1:	3:4:3:	C[6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5]-4:N[5,6]-3:C[6]-4:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)	C[5,6](C[5]C[6a]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6]O[5]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]N[5,6]C[6]H)(O[5]C[5])(H){2|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5]C[6a]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6]O[5]H)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>,3|C<4>}	115.2160	0.000	1	114.3875	1.373	2	114.3875	1.373	2	114.3875	1.373	2	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	3:4:2:1:	4:3:4:1:	3:4:3:	C[6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5]-4:N[5,6]-3:C[6]-4:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)	C[5,6](C[5]C[6a]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6]O[5]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]N[5,6]C[6]H)(O[5]C[5])(H){3|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5]C[6a]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)(H){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6]O[5]H)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>,3|C<4>}	113.5590	0.000	1	114.3875	1.373	2	114.3875	1.373	2	114.3875	1.373	2	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	3:4:2:1:	4:4:4:2:	3:4:3:	C[6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-2:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O[5]N[5])(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]O[6]HH)(CN)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6]O[5]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O[5]N[5])(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]O[6]HH)(CN){1|C<4>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6]O[5]H)(C[6a]C[6a]H){1|C<2>,1|N<3>,2|C<4>,2|H<1>,3|C<3>}	116.4690	0.000	1	116.4690	0.000	1	116.4690	0.000	1	116.4690	0.000	1	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	3:4:3:1:	4:2:3:3:	4:3:3:	C[5,6]-3:C[5,6]-4:C[6a]-3:H-1:	C[5]-4:O[5]-2:C[6]-3:C[6]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6])(C[5,6]C[6]2O[5])(C[6a]C[6a]2)(H)	C[5,6](C[5]C[5,6]C[6a]H)(O[5]C[5,6])(C[6]C[6]O)2	C[6a](C[5]C[5,6]2H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6])(C[5,6]C[6]2O[5])(C[6a]C[6a]2)(H){2|C<3>,2|H<1>,3|O<1>,4|C<4>}	C[5,6](C[5]C[5,6]C[6a]H)(O[5]C[5,6])(C[6]C[6]O)2{2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5]C[5,6]2H)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,1|O<2>,5|C<3>}	113.8220	0.000	1	113.8220	0.000	1	113.8220	0.000	1	113.8220	0.000	1	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	3:4:3:1:	4:3:4:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5]-4:N[5,6]-3:C[6]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H)	C[5,6](C[5]C[5,6a]C[6a]H)(N[5,6]C[5,6a]C[6])(C[6]C[6]HH)(H)	C[6a](C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,5|H<1>}	C[5,6](C[5]C[5,6a]C[6a]H)(N[5,6]C[5,6a]C[6])(C[6]C[6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	113.4420	0.000	1	113.4420	0.000	1	113.4420	0.000	1	113.4420	0.000	1	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	3:4:3:1:	4:4:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[6]-3:C[6]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(H)	C[5,6](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(C[6]N[6]O)2	C[6a](C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(H){1|C<4>,2|N<3>,2|O<1>,4|C<3>,4|H<1>}	C[5,6](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(C[6]N[6]O)2{2|C<4>,5|C<3>}	C[6a](C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]H)2{3|C<4>,5|C<3>}	116.1120	0.000	1	116.1120	0.000	1	116.1120	0.000	1	116.1120	0.000	1	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	3:4:3:2:	4:4:3:1:	3:4:3:	C[6a]-3:C[5,6]-4:C[6a]-3:O[5]-2:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5])	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]2O[5])(C[6]C[6]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6]C[6a]O[5])(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5]){1|O<2>,5|H<1>,8|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]2O[5])(C[6]C[6]H)(H){1|H<1>,1|O<2>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6]C[6a]O[5])(C[6a]C[6a]H){2|C<4>,3|H<1>,6|C<3>}	114.6270	0.000	1	114.6270	0.000	1	114.6270	0.000	1	114.6270	0.000	1	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	3:4:3:2:	4:4:3:1:	4:3:3:	C[6a]-3:C[5,6]-4:C[6a]-3:O[5]-2:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5])	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]2O[5])(C[6]C[6]H)(H)	C[6a](C[5]C[5,6]C[6a]O[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5]){1|O<2>,5|H<1>,8|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]2O[5])(C[6]C[6]H)(H){1|H<1>,1|O<2>,7|C<3>}	C[6a](C[5]C[5,6]C[6a]O[5])(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	112.5340	0.000	1	112.5340	0.000	1	112.5340	0.000	1	112.5340	0.000	1	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	3:4:4:1:	4:4:3:4:	3:4:3:	C[6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,5]C[6]2)(C[5]N[5]HH)(H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6]C[5]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,5]C[6]2)(C[5]N[5]HH)(H){1|O<1>,2|C<4>,3|H<1>,6|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,4|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6]C[5]H)(C[6a]C[6a]H){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	115.2293	0.330	3	115.2293	0.109	3	115.4038	0.194	4	115.4038	0.194	4	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	3:4:4:1:	4:4:3:4:	3:4:3:	C[6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,5]C[6]2)(C[5]N[5]HH)(H)	C[5,6](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6]C[5]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,5]C[6]2)(C[5]N[5]HH)(H){1|O<1>,2|C<4>,3|H<1>,6|C<3>}	C[5,6](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH){1|C<4>,2|O<1>,4|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6]C[5]H)(C[6a]C[6a]H){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	115.9270	0.000	1	115.9270	0.000	1	115.4038	0.194	4	115.4038	0.194	4	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	3:4:4:1:	4:4:4:3:	3:4:3:	C[6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5](C[6a]C[6a,6a]C[6a])(C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(H)	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]N[6]HH)(C[6]C[6]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,5|H<1>,6|C<3>}	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]N[6]HH)(C[6]C[6]O){1|H<1>,1|O<1>,4|C<4>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H){1|N<3>,3|C<4>,3|H<1>,4|C<3>}	117.1030	0.000	1	117.1030	0.000	1	117.1030	0.000	1	116.5815	0.544	2	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	3:4:4:1:	4:4:4:3:	3:4:3:	C[6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,5]C[6]2)(C[5]N[5]HH)(H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6]C[5]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,5]C[6]2)(C[5]N[5]HH)(H){1|O<1>,2|C<4>,3|H<1>,6|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]O){1|O<1>,2|C<4>,4|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6]C[5]H)(C[6a]C[6a]H){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	116.0600	0.000	1	116.0600	0.000	1	116.0600	0.000	1	116.5815	0.544	2	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:2:1:	3:3:4:2:	4:3:3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6,6a]-3:C[6,6a]-3:C[5]-4:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6,6a]C[6,6a]O)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]O[5]H)(OH)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6,6a]C[6,6a]O)(C[6a]C[6a]2)(O[5]C[5,6a])(H){2|H<1>,6|C<3>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]O[5]H)(OH){1|O<2>,7|C<3>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	121.8730	0.214	2	121.8730	0.046	2	121.8730	0.046	2	121.8730	0.046	2	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:2:1:	3:4:3:4:	4:3:3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	N[5,6]-3:C[5]-4:C[6a]-3:C[6]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]N[5,6]C[6a]C[6])(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]N[5,6]C[6a]C[6])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|O<1>,4|H<1>,6|C<3>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	116.4780	0.000	1	116.4780	0.000	1	116.4780	0.000	1	116.4780	0.000	1	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:2:1:	3:4:4:1:	4:3:3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]N[5])(H)	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]O[5]H)(C[6]O[6]HH)(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]N[5])(H){1|O<2>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]O[5]H)(C[6]O[6]HH)(H){4|C<3>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	116.8560	0.000	1	116.8560	0.000	1	116.8560	0.000	1	117.1477	0.078	3	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:2:1:	3:4:4:1:	4:3:3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]H)(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5])(H){4|H<1>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]H)(H){1|C<2>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	117.2935	0.169	2	117.2935	0.029	2	117.2935	0.029	2	117.1477	0.078	3	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:2:1:	3:4:4:2:	4:3:3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-2:	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)(O[5]N[5])(H)	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]O[5]H)(C[6]N[6]HH)(CN)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|Cl<1>,1|N<3>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]O[5]H)(C[6]N[6]HH)(CN){1|S<4>,4|C<3>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|N<2>,2|C<3>,2|H<1>}	113.8560	0.000	1	113.8560	0.000	1	116.4990	3.632	4	116.4990	3.632	4	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:2:1:	3:4:4:2:	4:3:3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-2:	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)(O[5]N[5])(H)	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]O[5]H)(C[6]O[6]HH)(CN)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]O[5]H)(C[6]O[6]HH)(CN){4|C<3>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|N<2>,2|C<3>,2|H<1>}	117.7860	0.000	1	117.7860	0.000	1	116.4990	3.632	4	116.4990	3.632	4	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:2:1:	3:4:4:2:	4:3:3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-2:	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)(O[5]N[5])(H)	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]O[5]H)(C[6]O[6]HH)(CN)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|O<2>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]O[5]H)(C[6]O[6]HH)(CN){4|C<3>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{1|C<2>,1|C<4>,1|N<2>,2|C<3>,2|H<1>}	117.1770	1.155	2	117.1770	1.335	2	116.4990	3.632	4	116.4990	3.632	4	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:2:1:	3:4:4:3:	4:3:3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-3:	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)(O[5]N[5])(H)	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]O[5]H)(C[6]N[6]HH)(COO)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|N<3>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]O[5]H)(C[6]N[6]HH)(COO){1|S<4>,4|C<3>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	115.1510	0.000	1	115.1510	0.000	1	115.5103	2.057	3	115.5103	2.057	3	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:2:1:	3:4:4:3:	4:3:3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-3:	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)(O[5]N[5])(H)	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]O[5]H)(C[6]O[6]HH)(COO)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){2|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]O[5]H)(C[6]O[6]HH)(COO){4|C<3>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	114.2900	0.000	1	114.2900	0.000	1	115.5103	2.057	3	115.5103	2.057	3	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:2:1:	3:4:4:3:	4:3:3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-3:	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)(O[5]N[5])(H)	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]O[5]H)(C[6]O[6]HH)(COO)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|O<2>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]O[5]H)(C[6]O[6]HH)(COO){4|C<3>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	117.0900	0.000	1	117.0900	0.000	1	115.5103	2.057	3	115.5103	2.057	3	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:2:1:	4:3:2:1:	4:3:3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6]-3:O[5,6]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]O[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[5,6](C[5]C[6a]O[5]H)(C[6]C[6,6a]C)(O[5,6]C[5,6])(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]O[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5,6])(H){3|H<1>,5|C<3>}	C[5,6](C[5]C[6a]O[5]H)(C[6]C[6,6a]C)(O[5,6]C[5,6])(H){1|H<1>,4|C<3>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	115.4368	0.975	10	115.4368	0.951	10	115.4368	0.951	10	115.4368	0.951	10	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:2:1:	4:3:4:1:	4:3:3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,5,6]-4:C[6,6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,5,6]C[6,6a]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]O[5]H)(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,5,6]C[6,6a]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]O[5]H)(H){2|C<4>,4|C<3>,5|H<1>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	117.0010	0.000	1	117.0010	0.000	1	117.0010	0.000	1	115.5057	1.693	3	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:2:1:	4:3:4:1:	4:3:3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5,6]-3:C[6]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,6](C[5]C[6a]O[5]H)(C[5,6]C[5]C[6])(C[6]N[6]HH)(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|N<3>,3|C<3>,6|H<1>}	C[5,6](C[5]C[6a]O[5]H)(C[5,6]C[5]C[6])(C[6]N[6]HH)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	114.8840	0.000	1	114.8840	0.000	1	114.7580	0.032	2	115.5057	1.693	3	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:2:1:	4:3:4:1:	4:3:3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5,6]-3:C[6]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,6](C[5]C[6a]O[5]H)(C[5,6]C[5]C[6])(C[6]O[6]HH)(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<2>,3|C<3>,6|H<1>}	C[5,6](C[5]C[6a]O[5]H)(C[5,6]C[5]C[6])(C[6]O[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	114.6320	0.000	1	114.6320	0.000	1	114.7580	0.032	2	115.5057	1.693	3	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:2:1:	4:3:4:3:	4:3:3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:N[5,6]-3:C[6]-4:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]N[5,6]C[6]C)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,6](C[5]C[6a]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6,6a]HH)(CNO)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]N[5,6]C[6]C)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5,6](C[5]C[6a]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6,6a]HH)(CNO){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	118.2398	0.662	4	118.2398	0.438	4	118.2398	0.438	4	118.2398	0.438	4	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:2:1:	4:3:4:4:	4:3:3:	C[5,6]-4:C[6a]-3:S[5]-2:H-1:	C[5]-4:C[6]-3:C[5]-4:C[6]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(S[5]C[5])(H)	C[5,6](C[5]C[6a]S[5]H)(C[6]C[5,6]O)(C[5]C[5]HO)(C[6]N[6]HH)	C[6a](C[5]C[5,6]S[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(S[5]C[5])(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,7|H<1>}	C[5,6](C[5]C[6a]S[5]H)(C[6]C[5,6]O)(C[5]C[5]HO)(C[6]N[6]HH){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[5]C[5,6]S[5]H)(C[6a]C[6a]H)2{2|C<3>,2|H<1>,3|C<4>}	116.6300	1.094	4	116.6300	1.196	4	116.6300	1.196	4	116.6300	1.196	4	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:2:1:	4:4:2:1:	4:3:3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]O[6]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[6a]O[5]H)(O[6]C[6])(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]O[6]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[6a]O[5]H)(O[6]C[6])(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	115.5260	0.000	1	115.5260	0.000	1	115.5260	0.000	1	115.5260	0.000	1	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:2:1:	4:4:3:1:	4:3:3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]O[5]H)(C[6]C[6]H)(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5])(H){5|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]O[5]H)(C[6]C[6]H)(H){2|H<1>,5|C<3>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	116.6100	0.245	2	116.6100	0.060	2	117.4585	3.889	4	117.4585	3.889	4	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:2:1:	4:4:3:1:	4:3:3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]N[5])(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[6a]O[5]H)(C[6]C[6a]C[6])(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]N[5])(H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[6a]O[5]H)(C[6]C[6a]C[6])(H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	118.3070	2.954	2	118.3070	8.728	2	117.4585	3.889	4	117.4585	3.889	4	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:2:1:	4:4:3:3:	4:3:3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	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)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]O[5]H)(C[6]O[6]O)(CCO)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]O[5]H)(C[6]O[6]O)(CCO){6|C<3>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	116.7440	0.000	1	116.7440	0.000	1	116.7440	0.000	1	116.5923	5.741	3	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:2:1:	4:4:3:3:	4:3:3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C[6]-3:C[6]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,6](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6]C[5,6]H)(C[6]C[6]O)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,4|H<1>,7|C<3>}	C[5,6](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6]C[5,6]H)(C[6]C[6]O){1|H<1>,1|O<2>,7|C<3>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	118.9090	0.000	1	118.9090	0.000	1	116.5165	11.448	2	116.5923	5.741	3	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:2:1:	4:4:3:3:	4:3:3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C[6]-3:C[6]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,6](C[5]C[6a]O[5]H)(C[5]C[5]CH)(C[6]C[6]H)2	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(O[5]C[5])(H){1|Cl<1>,5|C<3>,6|H<1>}	C[5,6](C[5]C[6a]O[5]H)(C[5]C[5]CH)(C[6]C[6]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	114.1240	0.000	1	114.1240	0.000	1	116.5165	11.448	2	116.5923	5.741	3	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:2:1:	4:4:3:4:	4:3:3:	C[5,6]-4:C[6a]-3:N[5]-2:H-1:	C[5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5])(H)	C[5,6](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[6,6a]O)(C[6]S[6]HH)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5])(H){1|O<1>,1|S<2>,5|C<3>,5|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[6,6a]O)(C[6]S[6]HH){7|C<3>}	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	117.7090	0.000	1	117.7090	0.000	1	117.7090	0.000	1	117.7090	0.000	1	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:2:1:	4:4:4:1:	4:3:3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[6a]O[5]H)(C[6]C[6]HH)(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5])(H){2|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[6a]O[5]H)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	112.8690	0.000	1	112.8690	0.000	1	112.8690	0.000	1	112.8690	0.000	1	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:2:1:	4:4:4:2:	4:3:3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-2:	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)(O[5]N[5])(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]O[6]HH)(CN)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]O[6]HH)(CN){1|C<4>,4|C<3>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	115.6900	0.000	1	115.6900	0.000	1	116.0152	0.124	5	116.0152	0.124	5	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:2:1:	4:4:4:2:	4:3:3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-2:	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)(O[5]N[5])(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]O[6]HH)(CN)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]O[6]HH)(CN){1|C<4>,4|C<3>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	116.3460	0.000	1	116.0965	0.122	4	116.0152	0.124	5	116.0152	0.124	5	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:2:1:	4:4:4:2:	4:3:3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-2:	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)(O[5]N[5])(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]O[6]HH)(CN)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]O[6]HH)(CN){1|C<4>,4|C<3>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<2>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	115.6340	0.000	1	116.0965	0.122	4	116.0152	0.124	5	116.0152	0.124	5	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:2:1:	4:4:4:2:	4:3:3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-2:	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)(O[5]N[5])(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]O[6]HH)(CN)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|O<2>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]O[6]HH)(CN){5|C<3>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	116.2030	0.257	2	116.0965	0.122	4	116.0152	0.124	5	116.0152	0.124	5	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:2:1:	4:4:4:3:	4:3:3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	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)(O[5]N[5])(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]O[6]HH)(COO)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){2|O<2>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]O[6]HH)(COO){5|C<3>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	117.0840	0.000	1	117.0840	0.000	1	117.8342	1.083	5	117.4049	1.277	7	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:2:1:	4:4:4:3:	4:3:3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	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)(O[5]N[5])(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]O[6]HH)(COO)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|O<2>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]O[6]HH)(COO){5|C<3>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	118.9495	0.424	2	118.9495	0.179	2	117.8342	1.083	5	117.4049	1.277	7	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:2:1:	4:4:4:3:	4:3:3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	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)(O[5]N[5])(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]S[6]HH)(COO)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|S<2>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]S[6]HH)(COO){1|C<4>,4|C<3>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	117.0410	0.000	1	117.0410	0.000	1	117.8342	1.083	5	117.4049	1.277	7	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:2:1:	4:4:4:3:	4:3:3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	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)(O[5]N[5])(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]S[6]HH)(COO)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|C<4>,1|S<2>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]S[6]HH)(COO){1|C<4>,4|C<3>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{1|F<1>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	117.1470	0.000	1	117.1470	0.000	1	117.8342	1.083	5	117.4049	1.277	7	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:2:1:	4:4:4:3:	4:3:3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(O[5]N[5])(H)	C[5,6](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]N[6]HH)(C[6]C[6]O)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(O[5]N[5])(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[5,6](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]N[6]HH)(C[6]C[6]O){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	116.1000	0.000	1	116.3315	0.107	2	116.3315	0.107	2	117.4049	1.277	7	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:2:1:	4:4:4:3:	4:3:3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(O[5]N[5])(H)	C[5,6](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]N[6]HH)(C[6]C[6]O)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(O[5]N[5])(H){1|N<3>,1|O<1>,5|C<3>,5|H<1>}	C[5,6](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]N[6]HH)(C[6]C[6]O){2|C<4>,6|C<3>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	116.5630	0.000	1	116.3315	0.107	2	116.3315	0.107	2	117.4049	1.277	7	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:2:2:	3:4:4:1:	4:3:3:	C[5,6]-4:C[6a]-3:O[5]-2:O-2:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5])(OH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]O)(H)	C[6a](C[5]C[5,6]O[5]O)(C[6a]C[6a]H)2	C[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5])(OH){3|H<1>,7|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]O)(H){2|H<1>,7|C<3>}	C[6a](C[5]C[5,6]O[5]O)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	118.8400	0.000	1	118.8400	0.000	1	118.8400	0.000	1	118.8400	0.000	1	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:2:3:	3:4:3:4:	4:3:3:	C[5,6]-4:C[6a]-3:N[5]-2:C-3:	C[6,6a]-3:C[5]-4:N[5,6]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[6,6a]N[5,6]C)(C[6a]C[6a]2)(N[5]C[5])(COO)	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[6a](C[5]C[5,6]N[5]C)(C[6a]C[6a]H)2	C[5](C[5,6]C[6,6a]N[5,6]C)(C[6a]C[6a]2)(N[5]C[5])(COO){3|H<1>,5|C<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){1|N<3>,1|O<1>,2|H<1>,4|C<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>,3|C<3>}	110.5360	0.849	2	110.5360	0.720	2	110.5360	0.720	2	110.5360	0.720	2	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:2:3:	3:4:4:1:	4:3:3:	C[5,6]-4:C[6a]-3:O[5]-2:C-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5])(COO)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]O[5]C)(H)	C[6a](C[5]C[5,6]O[5]C)(C[6a]C[6a]H)2	C[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5])(COO){3|H<1>,7|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]O[5]C)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,6]O[5]C)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	112.6130	0.000	1	112.6130	0.000	1	112.6130	0.000	1	112.6130	0.000	1	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:1:	3:3:4:3:	4:3:3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6,6a]-3:C[5]-4:C[6]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6]C[6]H)	C[6a](C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]2)(H){3|H<1>,9|C<3>}	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6]C[6]H){3|H<1>,8|C<3>}	C[6a](C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,6|C<3>}	114.3105	1.234	2	114.3105	1.523	2	114.3105	1.523	2	114.3105	1.523	2	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:1:	3:4:3:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[6,6a]-3:C[5]-4:N[5,6]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(N[5,6]C[6]N[5])(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[6,6a]N[5,6]H)(C[6a]C[6a]2)(C[5]N[5]O)(H){1|C<4>,2|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(N[5,6]C[6]N[5])(H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|O<1>,2|C<3>,2|N<3>,3|H<1>}	117.2395	0.186	2	117.2395	0.035	2	117.2395	0.035	2	117.2395	0.035	2	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:1:	3:4:3:3:	4:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5]-4:N[5]-3:C[6]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[6]C[5,6]O)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|H<1>,7|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[6]C[5,6]O){1|H<1>,1|N<3>,2|C<4>,7|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,4|C<3>}	115.0420	0.000	1	115.0420	0.000	1	115.0420	0.000	1	115.0420	0.000	1	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:1:	3:4:3:4:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[6,6a]-3:C[5]-4:N[5,6]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[6,6a]N[5,6]C)(C[6a]C[6a]2)(C[5]C[5]H)(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)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[6,6a]N[5,6]C)(C[6a]C[6a]2)(C[5]C[5]H)(H){1|N<2>,2|H<1>,5|C<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){2|H<1>,6|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	117.1120	0.000	1	117.1120	0.000	1	117.1120	0.000	1	117.1120	0.000	1	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:1:	3:4:4:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(C[5]O[5]O)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(C[5]O[5]O)(H){1|C<4>,3|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	116.3415	1.726	4	116.3415	2.981	4	116.3415	2.981	4	115.7831	3.348	15	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:1:	3:4:4:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[6a]C[5]H)(C[6]C[6a]S[6]O)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|O<2>,1|S<2>,3|H<1>,4|C<3>}	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[6a]C[5]H)(C[6]C[6a]S[6]O)(H){1|H<1>,7|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	111.9600	0.000	1	111.9600	0.000	1	111.9600	0.000	1	115.7831	3.348	15	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:1:	3:4:4:1:	4:3:3:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5]C)(H)	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]N[5]H)(C[6]C[6]HH)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]N[5]H)(C[6]C[6]HH)(H){2|H<1>,5|C<3>}	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,3|C<3>,3|H<1>}	113.9435	0.497	2	113.9435	0.247	2	115.8309	2.587	9	115.7831	3.348	15	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:1:	3:4:4:1:	4:3:3:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5]C)(H)	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]N[5]H)(C[6]C[6a]O[6]H)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5]C)(H){1|O<2>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]N[5]H)(C[6]C[6a]O[6]H)(H){1|C<4>,6|C<3>}	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{1|C<2>,1|N<2>,2|C<3>,2|C<4>,2|H<1>}	117.9505	0.391	2	116.3701	1.882	7	115.8309	2.587	9	115.7831	3.348	15	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:1:	3:4:4:1:	4:3:3:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5]C)(H)	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]N[5]H)(C[6]C[6a]O[6]H)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5]C)(H){1|O<2>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]N[5]H)(C[6]C[6a]O[6]H)(H){1|C<4>,6|C<3>}	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|C<4>,3|H<1>}	115.7380	1.018	5	116.3701	1.882	7	115.8309	2.587	9	115.7831	3.348	15	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:1:	3:4:4:1:	4:3:3:	C[5,6]-4:N[5]-3:C[6a]-3:H-1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]N[5]H)(C[6]C[6]HH)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,5|C<3>}	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]N[5]H)(C[6]C[6]HH)(H){2|H<1>,5|C<3>}	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,3|C<3>,3|H<1>}	116.9420	0.000	1	116.9420	0.000	1	116.9420	0.000	1	115.7831	3.348	15	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:1:	3:4:4:4:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	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]C[5]O)(H)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(CH3)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)(C[6a]O[6a]H)	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]O)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)(C[6a]O[6a]H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	117.4710	0.976	2	117.4710	0.952	2	117.4710	0.952	2	117.4710	0.952	2	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:1:	4:2:3:3:	4:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:O[5,6]-2:C[6]-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]C)(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(O[5,6]C[5,6])(C[6]C[6]O)(COO)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]C)(C[6a]C[6a]2)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5]C[6a]C[5]H)(O[5,6]C[5,6])(C[6]C[6]O)(COO){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	113.1390	0.313	2	113.1390	0.098	2	113.1390	0.098	2	113.1390	0.098	2	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:1:	4:3:2:2:	4:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[6]-3:O[5]-2:S[6]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[6]O[5]S[6])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(O[5]N[5])(S[6]C[6])	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[6]O[5]S[6])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(O[5]N[5])(S[6]C[6]){2|H<1>,5|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<2>,1|O<2>,1|S<2>,2|H<1>,3|C<3>}	116.9670	0.000	1	116.9670	0.000	1	116.9670	0.000	1	116.9670	0.000	1	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:1:	4:3:3:2:	4:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:N[6]-3:C[6]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[6]N[6]O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(N[6]C[6a]C[6])(C[6]C[6,6a]O)(O[5]N[5])	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[6]N[6]O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[5,6](C[5]C[6a]C[5]H)(N[6]C[6a]C[6])(C[6]C[6,6a]O)(O[5]N[5]){2|H<1>,7|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	117.4130	0.000	1	117.4130	0.000	1	117.4130	0.000	1	117.5500	0.038	2	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:1:	4:3:3:2:	4:3:3:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:N[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[5,6](C[5]C[6a]N[5]H)(C[6]N[6]O)2(N[5]C[5])	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(N[5]C[5]C)(H){1|Br<1>,1|H<1>,2|N<3>,2|O<1>,3|C<3>}	C[5,6](C[5]C[6a]N[5]H)(C[6]N[6]O)2(N[5]C[5]){3|C<4>,4|C<3>}	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	117.6870	0.000	1	117.6870	0.000	1	117.6870	0.000	1	117.5500	0.038	2	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:1:	4:3:3:3:	4:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:N[5]-3:C[6]-3:C[6]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[6]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[6]C[6]H)2	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[6]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){4|H<1>,7|C<3>}	C[5,6](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[6]C[6]H)2{2|C<4>,6|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,4|C<3>}	113.2200	0.000	1	113.2200	0.000	1	113.2200	0.000	1	116.1052	4.380	5	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:1:	4:3:3:3:	4:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:N[5]-3:N[6]-3:C[6]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[6]N[5]N[6])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(N[6]C[6a]C[6])(C[6]C[6,6a]O)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[6]N[5]N[6])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|H<1>,7|C<3>}	C[5,6](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(N[6]C[6a]C[6])(C[6]C[6,6a]O){2|H<1>,9|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,2|N<3>,3|C<3>}	116.1250	0.000	1	116.1250	0.000	1	116.1250	0.000	1	116.1052	4.380	5	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:1:	4:3:3:3:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:N[5]-3:C[6]-3:C[6]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]N[5]Br)(H)	C[5,6](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[6]N[6]O)2	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]N[5]Br)(H){2|H<1>,2|N<3>,2|O<1>,3|C<3>}	C[5,6](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[6]N[6]O)2{1|Br<1>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|Br<1>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	117.7965	1.791	2	117.7965	3.208	2	117.7965	3.208	2	116.1052	4.380	5	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:1:	4:3:3:3:	4:3:3:	C[5,6]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[6]-3:C[6]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]N[5]H)(C[5]N[5]H)(C[6]N[6]O)2	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(C[6a]C[6a]2)(H){2|N<3>,2|O<1>,3|H<1>,4|C<3>}	C[5,6](C[5]C[6a]N[5]H)(C[5]N[5]H)(C[6]N[6]O)2{2|H<1>,4|C<3>}	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,5|C<3>}	115.5880	0.000	1	115.5880	0.000	1	115.5880	0.000	1	116.1052	4.380	5	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:1:	4:3:3:4:	4:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:N[5]-3:C[6]-3:C[6]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[6]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[6]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,4|H<1>,6|C<3>}	C[5,6](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[6]C[6,6a]O)(C[6]C[6]HH){2|H<1>,7|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	116.7750	0.000	1	116.7750	0.000	1	116.7750	0.000	1	116.7750	0.000	1	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:1:	4:3:4:1:	4:3:3:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[3x5,6]-4:C[6,6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[3x5,6]C[6,6a]H)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]N[5]H)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,6]C[3x5,6]C[6,6a]H)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){1|C<4>,1|H<1>,1|O<2>,7|C<3>}	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]N[5]H)(H){1|O<1>,2|H<1>,2|O<2>,8|C<3>}	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	112.5770	0.000	1	112.5770	0.000	1	112.5770	0.000	1	114.0855	3.384	6	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:1:	4:3:4:1:	4:3:3:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5,6]-3:C[6]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5]C)(H)	C[5,6](C[5]C[6a]N[5]H)(C[5,6]C[6]N[5])(C[6]C[6]HH)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5]C)(H){1|Cl<1>,1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5]C[6a]N[5]H)(C[5,6]C[6]N[5])(C[6]C[6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	111.9070	0.000	1	111.9070	0.000	1	112.3765	0.441	2	114.0855	3.384	6	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:1:	4:3:4:1:	4:3:3:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5,6]-3:C[6]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5]C)(H)	C[5,6](C[5]C[6a]N[5]H)(C[5,6]C[6]N[5])(C[6]C[6]HH)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5]C[6a]N[5]H)(C[5,6]C[6]N[5])(C[6]C[6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,3|C<3>,3|H<1>}	112.8460	0.000	1	112.8460	0.000	1	112.3765	0.441	2	114.0855	3.384	6	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:1:	4:3:4:1:	4:3:3:	C[5,6]-4:N[5,5]-3:C[6a]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5a,6]C[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]N[5,5]C[6a]H)(H)	C[6a](C[5]C[5,6]N[5,5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|S<2>,5|C<3>,6|H<1>}	C[5,6](C[5,6]C[5a,6]C[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]N[5,5]C[6a]H)(H){1|N<2>,1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,6]N[5,5]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	115.8685	0.388	2	115.8685	0.151	2	115.8685	0.151	2	114.0855	3.384	6	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:1:	4:3:4:1:	4:3:3:	C[5,6]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[5,6]-3:C[6]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]N[5]H)(C[5,6]C[6]N[5])(C[6]N[6]HH)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|Cl<1>,1|N<3>,3|H<1>,5|C<3>}	C[5,6](C[5]C[6a]N[5]H)(C[5,6]C[6]N[5])(C[6]N[6]HH)(H){2|C<4>,4|C<3>}	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	115.4460	0.000	1	115.4460	0.000	1	115.4460	0.000	1	114.0855	3.384	6	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:1:	4:3:4:2:	4:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[6]-3:C[6]-4:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[5,6]O)(C[6]C[6]HH)(O[5]N[5])	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[5,6]O)(C[6]C[6]HH)(O[5]N[5]){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	116.2320	1.735	2	116.2320	3.011	2	116.3669	1.817	13	116.3669	1.817	13	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:1:	4:3:4:2:	4:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[6]-3:C[6]-4:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[5,6]O)(C[6]N[6]HH)(O[5]N[5])	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[5,6]O)(C[6]N[6]HH)(O[5]N[5]){3|C<3>,4|C<4>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	117.7723	1.323	3	117.7723	1.749	3	116.3669	1.817	13	116.3669	1.817	13	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:1:	4:3:4:2:	4:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[6]-3:C[6]-4:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(O[5]N[5])	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(O[5]N[5]){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	116.4225	1.119	2	116.2433	0.625	6	116.3669	1.817	13	116.3669	1.817	13	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:1:	4:3:4:2:	4:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[6]-3:C[6]-4:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(O[5]N[5])	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(O[5]N[5]){2|C<4>,5|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	116.9230	0.000	1	116.2433	0.625	6	116.3669	1.817	13	116.3669	1.817	13	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:1:	4:3:4:2:	4:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[6]-3:C[6]-4:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(O[5]N[5])	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(O[5]N[5]){2|H<1>,5|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	115.8973	0.703	3	116.2433	0.625	6	116.3669	1.817	13	116.3669	1.817	13	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:1:	4:3:4:2:	4:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[6]-3:C[6]-4:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]O[6]CH)(O[5]N[5])	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]O[6]CH)(O[5]N[5]){5|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	114.7645	0.986	2	114.7645	0.973	2	116.3669	1.817	13	116.3669	1.817	13	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:1:	4:3:4:3:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6]-3:C[6]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]S[5]N)(H)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(C[5]S[5]N)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]S[5]N)(H){1|C<4>,1|N<2>,1|O<1>,3|C<3>,4|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(C[5]S[5]N){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|S<2>,2|H<1>,3|C<3>}	114.6725	0.244	2	114.6725	0.060	2	114.6725	0.060	2	114.9670	0.110	5	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:1:	4:3:4:3:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6]-3:C[6]-4:N[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]N[5]P)(H)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(N[5]N[5]H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]N[5]P)(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(N[5]N[5]H){1|P<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|N<3>,1|P<4>,2|C<3>,2|H<1>}	114.9160	0.000	1	114.9160	0.000	1	114.9160	0.000	1	114.9670	0.110	5	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:1:	4:3:4:3:	4:3:3:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5,6]-3:C[6]-4:C-3:	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)(N[5]C[5]C)(H)	C[5,6](C[5]C[6a]N[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(COO)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5,6](C[5]C[6a]N[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(COO){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	115.3010	0.000	1	115.3010	0.000	1	115.2870	0.000	2	114.9670	0.110	5	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:1:	4:3:4:3:	4:3:3:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5,6]-3:C[6]-4:C-3:	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)(N[5]C[5]S)(H)	C[5,6](C[5]C[6a]N[5]H)(C[5,6]C[5]C[6])(C[6]C[6,6a]HH)(COO)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(N[5]C[5]S)(H){4|C<3>,6|H<1>}	C[5,6](C[5]C[6a]N[5]H)(C[5,6]C[5]C[6])(C[6]C[6,6a]HH)(COO){1|S<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{1|S<4>,2|C<4>,2|H<1>,3|C<3>}	115.2730	0.000	1	115.2730	0.000	1	115.2870	0.000	2	114.9670	0.110	5	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:1:	4:4:3:1:	4:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]C[5]H)(C[6]C[6]O)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C)(C[6a]C[6a]2)(H){1|O<2>,4|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]C[5]H)(C[6]C[6]O)(H){1|H<1>,5|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	114.4670	0.000	1	114.4670	0.000	1	114.4670	0.000	1	114.6653	6.741	18	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:1:	4:4:3:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]N[6]H)(C[6a]C[6a]2)(C[5]C[5]O)(H)	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[6a]C[5]H)(N[6]C[6,6a]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]N[6]H)(C[6a]C[6a]2)(C[5]C[5]O)(H){1|O<2>,3|C<3>,6|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[6a]C[5]H)(N[6]C[6,6a]H)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	114.7270	0.000	1	114.7270	0.000	1	114.7270	0.000	1	114.6653	6.741	18	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:1:	4:4:3:1:	4:3:3:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5,6]H)(H)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]N[5]H)(C[6]N[6]O)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5,6]H)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]N[5]H)(C[6]N[6]O)(H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	116.0030	0.000	1	116.0030	0.000	1	114.5553	7.942	15	114.6653	6.741	18	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:1:	4:4:3:1:	4:3:3:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[6a]N[5]H)(C[6]C[6]H)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|Br<1>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[6a]N[5]H)(C[6]C[6]H)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	113.2890	0.000	1	113.2890	0.000	1	114.5553	7.942	15	114.6653	6.741	18	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:1:	4:4:3:1:	4:3:3:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]H)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]H)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{1|Br<1>,2|C<4>,2|H<1>,3|C<3>}	115.5160	0.000	1	115.5160	0.000	1	114.5553	7.942	15	114.6653	6.741	18	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:1:	4:4:3:1:	4:3:3:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[5,6]O)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[5,6]O)(H){2|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	114.5410	0.000	1	114.5410	0.000	1	114.5553	7.942	15	114.6653	6.741	18	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:1:	4:4:3:1:	4:3:3:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[6]O)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[6]O)(H){1|O<2>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	115.2530	0.000	1	115.6445	0.307	2	114.5553	7.942	15	114.6653	6.741	18	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:1:	4:4:3:1:	4:3:3:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[6]O)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[6]O)(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	116.0360	0.000	1	115.6445	0.307	2	114.5553	7.942	15	114.6653	6.741	18	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:1:	4:4:3:1:	4:3:3:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]O)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]O)(H){2|O<2>,3|C<3>,5|H<1>}	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	118.4367	0.590	3	118.4367	0.349	3	114.5553	7.942	15	114.6653	6.741	18	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:1:	4:4:3:1:	4:3:3:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]O[6]O)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]O[6]O)(H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	113.6450	0.000	1	111.6333	4.708	3	114.5553	7.942	15	114.6653	6.741	18	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:1:	4:4:3:1:	4:3:3:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]O[6]O)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|O<1>,2|H<1>,2|O<2>,5|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]O[6]O)(H){1|H<1>,6|C<3>}	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	110.6275	1.829	2	111.6333	4.708	3	114.5553	7.942	15	114.6653	6.741	18	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:1:	4:4:3:1:	4:3:3:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]O[6]S)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|S<1>,2|H<1>,2|O<2>,5|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]O[6]S)(H){1|H<1>,6|C<3>}	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	109.9460	0.000	1	109.9460	0.000	1	114.5553	7.942	15	114.6653	6.741	18	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:1:	4:4:3:1:	4:3:3:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]O[5]S)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]N[5]H)(C[6]C[6a]C[6])(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]O[5]S)(H){1|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]N[5]H)(C[6]C[6a]C[6])(H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,1|S<4>,2|C<3>,3|H<1>}	113.2780	0.000	1	113.2780	0.000	1	114.5553	7.942	15	114.6653	6.741	18	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:1:	4:4:3:1:	4:3:3:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]P[5]C)(H)	C[5,6](C[5,6]C[6]P[5]H)(C[5]C[6a]N[5]H)(C[6]C[6]H)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]P[5]C)(H){1|O<1>,4|H<1>,5|C<3>}	C[5,6](C[5,6]C[6]P[5]H)(C[5]C[6a]N[5]H)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{1|P<4>,2|C<3>,2|C<4>,3|H<1>}	114.2580	0.000	1	114.2580	0.000	1	114.5553	7.942	15	114.6653	6.741	18	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:1:	4:4:3:1:	4:3:3:	C[5,6]-4:N[5]-3:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]N[5]H)(C[6]O[6]O)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]N[5]H)(C[6]O[6]O)(H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	116.4510	0.000	1	116.4510	0.000	1	116.4510	0.000	1	114.6653	6.741	18	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:1:	4:4:3:2:	4:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5]-4:C[6]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,5,6]C[6]O)(C[5]N[5,5]O)(C[6a]C[6a]2)(H)	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[5]C[6a]C[5]H)(C[6]C[6]H)(OH)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,5,6]C[6]O)(C[5]N[5,5]O)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[5]C[6a]C[5]H)(C[6]C[6]H)(OH){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	115.8090	0.000	1	115.8090	0.000	1	115.8090	0.000	1	116.7532	0.339	5	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:1:	4:4:3:2:	4:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[6]-4:C[6]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(O[5]N[5])	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(O[5]N[5]){7|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	117.0270	0.335	3	117.0270	0.112	3	116.9892	0.081	4	116.7532	0.339	5	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:1:	4:4:3:2:	4:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[6]-4:C[6]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O)(O[5]N[5])	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O)(O[5]N[5]){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	116.8760	0.000	1	116.8760	0.000	1	116.9892	0.081	4	116.7532	0.339	5	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:1:	4:4:3:3:	4:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[6]-4:N[5]-3:C[6]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[6]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]HH)(N[5]C[6a]N[5])(C[6]C[5,6]O)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[6]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,4|H<1>,6|C<3>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]HH)(N[5]C[6a]N[5])(C[6]C[5,6]O){1|C<4>,1|N<3>,7|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	114.6240	0.000	1	114.6240	0.000	1	115.1085	0.469	2	114.6034	1.367	5	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:1:	4:4:3:3:	4:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[6]-4:N[5]-3:C[6]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[6]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]O[6]H)(N[5]C[6a]N[5])(C[6]C[6,6a]O)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[6]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,3|H<1>,7|C<3>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]O[6]H)(N[5]C[6a]N[5])(C[6]C[6,6a]O){9|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	115.5930	0.000	1	115.5930	0.000	1	115.1085	0.469	2	114.6034	1.367	5	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:1:	4:4:3:3:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-4:C[6]-3:C[6]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5,6](C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[6]N[6]O)2	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]C[5]C)(H){2|C<3>,2|N<3>,2|O<1>,5|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[6]N[6]O)2{1|H<1>,2|C<4>,4|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	115.3220	0.000	1	115.3220	0.000	1	113.9740	3.634	2	114.6034	1.367	5	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:1:	4:4:3:3:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-4:C[6]-3:C[6]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[5,6](C[5]C[6a]C[5]H)(C[5]C[5]CC)(C[6]C[6]H)2	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]C[5]H)(H){5|H<1>,6|C<3>}	C[5,6](C[5]C[6a]C[5]H)(C[5]C[5]CC)(C[6]C[6]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	112.6260	0.000	1	112.6260	0.000	1	113.9740	3.634	2	114.6034	1.367	5	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:1:	4:4:3:3:	4:3:3:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C[6]-3:C[6]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5,5]C)(H)	C[5,6](C[5]C[6a]N[5]H)(C[5]C[5,5]HH)(C[6]N[6]O)2	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5,5]C)(H){2|N<3>,2|O<1>,4|C<3>,4|H<1>}	C[5,6](C[5]C[6a]N[5]H)(C[5]C[5,5]HH)(C[6]N[6]O)2{3|C<4>,5|C<3>}	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{2|H<1>,3|C<3>,3|C<4>}	114.8520	0.000	1	114.8520	0.000	1	114.8520	0.000	1	114.6034	1.367	5	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:1:	4:4:3:4:	4:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:N[6]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]O)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]C[5]H)(N[6]C[6,6a]H)(CH3)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]O)(C[6a]C[6a]2)(H){1|C<4>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]C[5]H)(N[6]C[6,6a]H)(CH3){1|C<4>,1|O<1>,4|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	118.0790	0.000	1	118.0790	0.000	1	118.0790	0.000	1	116.0226	2.627	5	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:1:	4:4:3:4:	4:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[6,6a]O)(C[6]S[6]HH)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|O<1>,1|S<2>,5|H<1>,6|C<3>}	C[5,6](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[6,6a]O)(C[6]S[6]HH){7|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<2>,2|C<4>,2|H<1>,3|C<3>}	114.4950	0.000	1	114.4950	0.000	1	114.4950	0.000	1	116.0226	2.627	5	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:1:	4:4:3:4:	4:3:3:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5,6](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[6,6a]O)(C[6]O[6]HH)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|O<1>,1|O<2>,5|C<3>,6|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[6,6a]O)(C[6]O[6]HH){2|H<1>,7|C<3>}	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	115.8463	1.388	3	115.8463	1.926	3	115.8463	1.926	3	116.0226	2.627	5	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:1:	4:4:4:1:	4:3:3:	C[5,6]-4:C[5,6]-3:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]N[5,6]C[6])(C[6a]C[6a]2)(H)	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(C[6]C[6]HH)(H)	C[6a](C[5]C[5,6]2H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]N[5,6]C[6])(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,6|H<1>}	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(C[6]C[6]HH)(H){1|Br<1>,1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6]2H)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,2|C<3>,4|C<4>}	113.3050	0.000	1	113.3050	0.000	1	113.3050	0.000	1	115.1955	2.683	13	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:1:	4:4:4:1:	4:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]O)(C[6a]C[6a]2)(H)	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]O)(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){2|H<1>,2|O<1>,3|C<3>,3|C<4>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	113.4640	0.000	1	113.4640	0.000	1	113.4640	0.000	1	115.1955	2.683	13	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:1:	4:4:4:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){1|C<2>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<2>,2|C<3>,2|C<4>,3|H<1>}	116.7930	0.000	1	116.7930	0.000	1	115.1561	1.864	8	115.1955	2.683	13	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:1:	4:4:4:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]C)(H)	C[5,6](C[5,6]C[6,6a]N[5]C)(C[5]C[6a]C[5]H)(C[6]O[6]HH)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]C)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]C)(C[5]C[6a]C[5]H)(C[6]O[6]HH)(H){5|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|C<4>,3|H<1>}	116.7220	0.000	1	116.7220	0.000	1	115.1561	1.864	8	115.1955	2.683	13	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:1:	4:4:4:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]BrH)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]O)(H){1|Br<1>,1|S<4>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]BrH)(H){1|C<4>,1|O<1>,1|S<4>,2|C<3>,4|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	113.9300	0.082	2	113.9300	0.007	2	115.1561	1.864	8	115.1955	2.683	13	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:1:	4:4:4:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]ClC)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]O)(H){1|Cl<1>,1|S<4>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]ClC)(H){1|C<4>,1|O<1>,1|S<4>,2|C<3>,4|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	115.9995	0.684	2	115.9995	0.468	2	115.1561	1.864	8	115.1955	2.683	13	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:1:	4:4:4:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]O[5]O)(H){1|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	113.9375	0.206	2	113.9375	0.042	2	115.1561	1.864	8	115.1955	2.683	13	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:1:	4:4:4:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[6]N[5]H)(C[5]C[6a]C[5]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]O)(H){1|C<4>,1|S<4>,4|C<3>,4|H<1>}	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[6]N[5]H)(C[5]C[6a]C[5]H)(H){1|O<1>,1|S<4>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	117.8270	0.000	1	117.8270	0.000	1	117.8270	0.000	1	115.1955	2.683	13	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:1:	4:4:4:1:	4:3:3:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5,6]C)(H)	C[5,6](C[5,6]C[5,6]BrH)(C[5]C[6a]N[5]H)(C[6]C[4,6]HH)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5,6]C)(H){1|Br<1>,2|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]BrH)(C[5]C[6a]N[5]H)(C[6]C[4,6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	114.3010	0.000	1	114.3010	0.000	1	115.8480	4.786	2	115.1955	2.683	13	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:1:	4:4:4:1:	4:3:3:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]HH)(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]HH)(H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,3|C<4>,3|H<1>}	117.3950	0.000	1	117.3950	0.000	1	115.8480	4.786	2	115.1955	2.683	13	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:1:	4:4:4:2:	4:3:3:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-2:	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)(N[5]C[5]S)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]HH)(CN)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|C<4>,3|C<3>,7|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]HH)(CN){1|S<4>,3|C<3>,5|H<1>}	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|S<4>,2|H<1>,3|C<4>}	113.0640	0.000	1	113.0640	0.000	1	113.0640	0.000	1	113.0640	0.000	1	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:1:	4:4:4:3:	4:3:3:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	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)(N[5]C[5]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]O[6]HO)(COO)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,2|O<2>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]O[6]HO)(COO){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	117.5310	0.000	1	117.5310	0.000	1	115.8210	2.347	3	116.5143	3.143	8	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:1:	4:4:4:3:	4:3:3:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	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)(N[5]C[5]S)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]HH)(COO)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|C<4>,3|C<3>,7|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]HH)(COO){1|S<4>,3|C<3>,5|H<1>}	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,2|H<1>,3|C<4>}	114.9660	0.554	2	114.9660	0.307	2	115.8210	2.347	3	116.5143	3.143	8	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:1:	4:4:4:3:	4:3:3:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:N-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]N)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5]C[6a]N[5]H)(C[6]O[6]HH)(NOO)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6]C[6]N)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){1|F<1>,1|O<2>,4|H<1>,5|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5]C[6a]N[5]H)(C[6]O[6]HH)(NOO){1|H<1>,6|C<3>}	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	119.7210	0.000	1	119.7210	0.000	1	118.1170	1.947	3	116.5143	3.143	8	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:1:	4:4:4:3:	4:3:3:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:N-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]N)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[6a]O[6]H)(NOO)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]N)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|O<2>,4|H<1>,6|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[6a]O[6]H)(NOO){1|H<1>,8|C<3>}	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	117.4480	0.000	1	117.4480	0.000	1	118.1170	1.947	3	116.5143	3.143	8	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:1:	4:4:4:3:	4:3:3:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:N-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]N)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]O[6]HH)(NOO)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]N)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|O<2>,5|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]O[6]HH)(NOO){1|H<1>,6|C<3>}	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	117.1820	0.000	1	117.1820	0.000	1	118.1170	1.947	3	116.5143	3.143	8	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:1:	4:4:4:3:	4:3:3:	C[5,6]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]N[6]HH)(C[6]C[6]O)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,5|C<3>,5|H<1>}	C[5,6](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]N[6]HH)(C[6]C[6]O){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	115.6700	0.000	1	115.1500	0.541	2	115.1500	0.541	2	116.5143	3.143	8	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:1:	4:4:4:3:	4:3:3:	C[5,6]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]N[6]HH)(C[6]C[6]O)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,5|H<1>,6|C<3>}	C[5,6](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]N[6]HH)(C[6]C[6]O){2|C<4>,6|C<3>}	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	114.6300	0.000	1	115.1500	0.541	2	115.1500	0.541	2	116.5143	3.143	8	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:1:	4:4:4:4:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[5,6](C[5]C[6a]C[5]H)(C[5]N[5]HH)(C[6]C[6]HH)2	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]O)(H){1|S<4>,2|C<3>,3|C<4>,7|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[5]N[5]HH)(C[6]C[6]HH)2{1|C<4>,1|O<1>,1|S<4>,2|C<3>,4|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	117.6040	0.000	1	117.6040	0.000	1	117.0880	0.249	3	117.0880	0.249	3	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:1:	4:4:4:4:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[5,6](C[5]C[6a]C[5]H)(C[5]N[5]HH)(C[6]C[6]HH)2	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]O)(H){1|S<4>,2|C<3>,2|C<4>,8|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[5]N[5]HH)(C[6]C[6]HH)2{1|C<4>,1|O<1>,1|S<4>,2|C<3>,4|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	116.8300	0.313	2	116.8300	0.098	2	117.0880	0.249	3	117.0880	0.249	3	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:2:	4:3:2:2:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-3:O-2:	C[5]-4:C[5]-3:S[6]-2:S[6]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5]S[6]2)(C[6a]C[6a]2)(C[5]C[5]C)(OH)	C[5,6](C[5]C[6a]C[5]O)(C[5]C[5]H)(S[6]C[6])2	C[6a](C[5]C[5,6]C[5]O)(C[6a]C[6a]H)2	C[5](C[5,6]C[5]S[6]2)(C[6a]C[6a]2)(C[5]C[5]C)(OH){2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5]C[6a]C[5]O)(C[5]C[5]H)(S[6]C[6])2{1|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,6]C[5]O)(C[6a]C[6a]H)2{2|H<1>,2|S<2>,4|C<3>}	112.1470	0.000	1	112.1470	0.000	1	112.1470	0.000	1	112.1470	0.000	1	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:2:	4:3:4:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:N[5,6]-3:C[6]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)2(O[5]C[5])	C[5,6](C[5]C[6a]2O[5])(N[5,6]C[5]C[6])(C[6]N[6]HH)(H)	C[6a](C[5]C[5,6]C[6a]O[5])(C[6a]C[6a]H)2	C[5](C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)2(O[5]C[5]){1|C<4>,1|N<3>,1|O<1>,4|C<3>,6|H<1>}	C[5,6](C[5]C[6a]2O[5])(N[5,6]C[5]C[6])(C[6]N[6]HH)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,6]C[6a]O[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	113.4080	0.301	2	113.4080	0.091	2	113.4080	0.091	2	113.4080	0.091	2	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:2:	4:3:4:4:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-3:O-2:	C[5]-4:C[6]-3:C[5]-4:C[6]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]O)(OH)	C[5,6](C[5]C[6a]C[5]O)(C[6]C[6,6a]O)(C[5]N[5]CH)(C[6]O[6]HN)	C[6a](C[5]C[5,6]C[5]O)(C[6a]C[6a]H)2	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]O)(OH){1|N<3>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[5,6](C[5]C[6a]C[5]O)(C[6]C[6,6a]O)(C[5]N[5]CH)(C[6]O[6]HN){1|O<1>,5|C<3>}	C[6a](C[5]C[5,6]C[5]O)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	114.9240	0.000	1	114.9240	0.000	1	114.9240	0.000	1	114.9240	0.000	1	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:2:	4:4:2:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-3:O-2:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]O[6]H)(C[6a]C[6a]2)(C[5]O[5]O)(OH)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]O)(O[6]C[6])(H)	C[6a](C[5]C[5,6]C[5]O)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]O[6]H)(C[6a]C[6a]2)(C[5]O[5]O)(OH){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]O)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]C[5,6]C[5]O)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	113.4855	0.548	2	113.4855	0.300	2	113.4855	0.300	2	113.4855	0.300	2	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:2:	4:4:4:1:	4:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:O-2:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]O)(C[6a]C[6a]2)(OH)	C[5,6](C[5,6,6]C[6,6a]N[5,6]C[6])(C[5]C[6a]C[5]O)(C[6]C[6]HH)(H)	C[6a](C[5]C[5,6]C[5]O)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]O)(C[6a]C[6a]2)(OH){3|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[6,6a]N[5,6]C[6])(C[5]C[6a]C[5]O)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,6]C[5]O)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	118.4310	0.000	1	118.4310	0.000	1	118.4310	0.000	1	114.3843	17.521	3	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:2:	4:4:4:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)2(O[5]C[5,6])	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]2O[5])(C[6]C[6]CH)(H)	C[6a](C[5]C[5,6]C[6a]O[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)2(O[5]C[5,6]){1|O<1>,3|C<4>,4|C<3>,7|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]2O[5])(C[6]C[6]CH)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,6]C[6a]O[5])(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	112.3610	3.237	2	112.3610	10.479	2	112.3610	10.479	2	114.3843	17.521	3	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:2:	4:4:4:4:	4:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:O-2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]O)(C[6a]C[6a]2)(OH)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]C[5]O)(C[6]N[6,6]HH)(CH3)	C[6a](C[5]C[5,6]C[5]O)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]O)(C[6a]C[6a]2)(OH){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]C[5]O)(C[6]N[6,6]HH)(CH3){1|O<1>,2|C<4>,3|C<3>}	C[6a](C[5]C[5,6]C[5]O)(C[6a]C[6a]H)2{1|C<3>,1|O<1>,2|H<1>,4|C<4>}	116.0950	2.007	2	116.0950	4.027	2	115.7837	2.304	3	115.7837	2.304	3	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:2:	4:4:4:4:	4:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:O-2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]O)(C[6a]C[6a]2)(OH)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]C[5]O)(C[6]N[6]HH)(CH3)	C[6a](C[5]C[5,6]C[5]O)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]O)(C[6a]C[6a]2)(OH){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]C[5]O)(C[6]N[6]HH)(CH3){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[5]C[5,6]C[5]O)(C[6a]C[6a]H)2{1|C<3>,1|O<1>,2|H<1>,4|C<4>}	115.1610	0.000	1	115.1610	0.000	1	115.7837	2.304	3	115.7837	2.304	3	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:3:	3:4:4:1:	4:3:3:	C[5,6]-4:N[5]-3:C[6a]-3:C-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5,6]C[6a])(C[6a]C[6a]2)(COO)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]C[6a]N[5]C)(H)	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[5,6]H)(N[5]C[5,6]C[6a])(C[6a]C[6a]2)(COO){1|N<3>,5|H<1>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]C[6a]N[5]C)(H){1|Br<1>,1|H<1>,1|N<3>,5|C<3>}	C[6a](C[5]C[5,6]N[5]C)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	113.6650	0.000	1	113.6650	0.000	1	113.6650	0.000	1	113.6650	0.000	1	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:3:	4:4:3:2:	4:3:3:	C[5,6]-4:C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[6]-4:N[5]-3:O[6]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[6]N[5]O[6])(C[6a]C[6a]2)2(C[5]C[5]O)	C[5,6](C[5]C[6a]2C[5])(C[6]C[6]HH)(N[5]C[5]O)(O[6]C[6])	C[6a](C[5]C[5,6]C[6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[6]N[5]O[6])(C[6a]C[6a]2)2(C[5]C[5]O){1|O<1>,2|C<4>,5|C<3>,6|H<1>}	C[5,6](C[5]C[6a]2C[5])(C[6]C[6]HH)(N[5]C[5]O)(O[6]C[6]){1|O<2>,2|O<1>,3|C<4>,4|C<3>}	C[6a](C[5]C[5,6]C[6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	112.6980	2.671	2	112.6980	7.137	2	112.6980	7.137	2	112.6980	7.137	2	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:3:	4:4:4:3:	4:3:3:	C[5,6]-4:C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)2(C[5]C[5]O)	C[5,6](C[5]C[6a]2C[5])(C[6]C[6]HH)2(N[5]C[5]O)	C[6a](C[5]C[5,6]C[6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)2(C[5]C[5]O){1|O<1>,2|C<4>,5|C<3>,8|H<1>}	C[5,6](C[5]C[6a]2C[5])(C[6]C[6]HH)2(N[5]C[5]O){2|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[5]C[5,6]C[6a]C[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	113.1560	2.202	2	113.1560	4.848	2	113.1560	4.848	2	113.1560	4.848	2	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:4:	3:4:3:3:	4:3:3:	C[5,6]-4:C[6a]-3:N[5]-3:C-4:	C[6,6a]-3:C[5]-4:C[6]-3:N[5]-3:	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[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]N[5]C)(C[6]C[6]H)(N[5]C[5]C)	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[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]N[5]C)(C[6]C[6]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|H<1>,5|C<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>}	111.2375	0.189	2	111.2375	0.036	2	111.2375	0.036	2	111.2375	0.036	2	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:4:	3:4:4:2:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-3:C-4:	C[6,6a]-3:C[5,6]-4:C[5]-4:O-2:	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[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]C)(OH)	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[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]C)(OH){1|C<4>,5|C<3>,5|H<1>}	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>}	114.7850	0.000	1	114.7850	0.000	1	114.7850	0.000	1	114.7850	0.000	1	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:4:	4:4:3:4:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	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[5,6](C[5,6]C[6]O[5]N)(C[5]C[6a]C[5]C)(C[6]C[6]H)(CH3)	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[5,6](C[5,6]C[6]O[5]N)(C[5]C[6a]C[5]C)(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	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>}	111.5530	0.000	1	111.5530	0.000	1	111.5530	0.000	1	111.5530	0.000	1	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:3:4:	4:4:4:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[6a]-3:C[5]-4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)2(C[5]O[5]HH)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]2C[5])(C[6]C[6]HH)(H)	C[6a](C[5]C[5,6]C[6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)2(C[5]O[5]HH){2|C<4>,4|C<3>,7|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]2C[5])(C[6]C[6]HH)(H){1|C<4>,1|I<1>,4|C<3>,5|H<1>}	C[6a](C[5]C[5,6]C[6a]C[5])(C[6a]C[6a]H)2{1|O<2>,2|C<4>,3|C<3>,5|H<1>}	113.1995	0.321	4	113.1995	0.103	4	113.1995	0.103	4	113.1995	0.103	4	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:4:1:	3:3:4:3:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[5]-4:N[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[6,6a]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])2(C[5]C[6a]C[5]H)(N[5]C[5]C)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[5](C[5,6]C[6,6a]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,2|C<4>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])2(C[5]C[6a]C[5]H)(N[5]C[5]C){1|C<4>,1|O<1>,4|H<1>,6|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,5|H<1>,6|C<3>}	115.8970	0.000	1	115.8970	0.000	1	115.8970	0.000	1	115.8970	0.000	1	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:4:1:	3:4:3:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6,6a]-3:C[5]-4:N[5,6]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(N[5,6]C[6]N[5])(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[6,6a]N[5,6]H)(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|C<4>,2|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(N[5,6]C[6]N[5])(H){2|C<4>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|N<3>,4|H<1>}	109.8240	0.000	1	109.8240	0.000	1	109.8240	0.000	1	109.8240	0.000	1	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:4:1:	3:4:3:2:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6,6a]-3:C[5]-4:N[5,6]-3:C-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[6,6a]N[5,6]C)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(N[5,6]C[5]C[6])(CN)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[6,6a]N[5,6]C)(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|O<1>,2|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(N[5,6]C[5]C[6])(CN){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<2>,1|C<4>,1|N<3>,2|H<1>,4|C<3>}	121.8250	0.000	1	121.8250	0.000	1	121.8250	0.000	1	121.8250	0.000	1	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:4:1:	3:4:3:4:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6,6a]-3:C[5]-4:N[5,6]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[6,6a]N[5,6]C)(C[6a]C[6a]2)(C[5]C[5]HH)(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)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[6,6a]N[5,6]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,1|S<4>,2|H<1>,4|C<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){1|O<2>,3|H<1>,3|O<1>,4|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	114.6750	0.000	1	114.6750	0.000	1	114.6750	0.000	1	114.6750	0.000	1	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:4:1:	3:4:4:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){1|O<1>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	115.9620	0.000	1	115.9620	0.000	1	115.9620	0.000	1	116.4810	0.539	2	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:4:1:	3:4:4:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6,6a]-3:N[5,6]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[6,6a]N[5,6]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,4|C<3>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(H){2|C<4>,4|C<3>,6|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<4>,2|C<3>,2|C<4>,4|H<1>}	117.0000	0.000	1	117.0000	0.000	1	117.0000	0.000	1	116.4810	0.539	2	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:4:1:	3:4:4:2:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:O-2:	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]CH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]C[5]H)(OC)	C[6a](C[5]C[5,6]C[5]H)(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]CH)(H){1|C<4>,4|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]C[5]H)(OC){1|C<2>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<2>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	120.3220	0.000	1	120.3220	0.000	1	120.3220	0.000	1	120.3220	0.000	1	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:4:1:	4:3:3:3:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C[6]-3:C[6]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[5,6](C[5]C[6a]C[5]H)(C[5]C[5]C)(C[6]C[6]H)2	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]C[5]CC)(H){5|C<3>,6|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[5]C[5]C)(C[6]C[6]H)2{2|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,6|C<3>}	115.7050	0.262	2	115.7050	0.068	2	115.1537	0.946	3	114.6757	1.544	4	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:4:1:	4:3:3:3:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C[6]-3:C[6]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,6](C[5]C[6a]C[5]H)(C[5]C[5]C)(C[6]N[6]O)2	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|H<1>,2|N<3>,3|C<3>,3|O<1>}	C[5,6](C[5]C[6a]C[5]H)(C[5]C[5]C)(C[6]N[6]O)2{1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{4|H<1>,5|C<3>}	114.0510	0.000	1	114.0510	0.000	1	115.1537	0.946	3	114.6757	1.544	4	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:4:1:	4:3:3:3:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6]-3:C[6]-3:N[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6]H)2(N[5]C[5]C)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6]H)2(N[5]C[5]C){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	113.2420	0.000	1	113.2420	0.000	1	113.2420	0.000	1	114.6757	1.544	4	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:4:1:	4:3:4:3:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5,6]-3:C[6]-4:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]N[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[5,6](C[5]C[6a]C[5]H)(N[5,6]C[5]C[6])(C[6]C[6,6a]HH)(COO)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]N[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HN)(H){2|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5]C[6a]C[5]H)(N[5,6]C[5]C[6])(C[6]C[6,6a]HH)(COO){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|N<3>,3|H<1>}	116.8500	0.000	1	116.8500	0.000	1	116.8500	0.000	1	116.8500	0.000	1	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:4:1:	4:3:4:4:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5,6]-3:C[6]-4:C-4:	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]C[5]CH)(H)	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]O)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]O)2{2|C<4>,3|H<1>,4|C<3>}	115.5680	0.000	1	115.5680	0.000	1	115.5680	0.000	1	115.5680	0.000	1	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:4:1:	4:4:3:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]O[6]O)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|O<1>,1|O<2>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]O[6]O)(H){3|H<1>,5|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	113.6958	0.152	4	113.6958	0.023	4	113.9905	0.936	6	113.9905	0.936	6	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:4:1:	4:4:3:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]CC)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]N[6]O)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]CC)(H){1|Cl<1>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]N[6]O)(H){1|H<1>,1|S<4>,6|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	113.2440	0.000	1	113.2440	0.000	1	113.9905	0.936	6	113.9905	0.936	6	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:4:1:	4:4:3:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]CC)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]O[6]O)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]CC)(H){1|O<1>,2|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]O[6]O)(H){1|H<1>,6|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	115.9160	0.000	1	115.9160	0.000	1	113.9905	0.936	6	113.9905	0.936	6	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:4:1:	4:4:3:2:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6]-4:C[6]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[6]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]O)(O[5]C[5])	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[6]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,2|O<1>,4|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]O)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,4|H<1>}	119.1940	0.000	1	119.1940	0.000	1	119.1940	0.000	1	119.1940	0.000	1	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:4:1:	4:4:3:3:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:N-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]N)(C[6a]C[6a]2)(C[5]N[5]CC)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]O[6]O)(NCH)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6]C[6]N)(C[6a]C[6a]2)(C[5]N[5]CC)(H){1|Br<1>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]O[6]O)(NCH){1|H<1>,6|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,2|H<1>,2|N<3>,4|C<3>}	117.1730	0.000	1	117.1730	0.000	1	117.1730	0.000	1	117.6260	0.213	4	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:4:1:	4:4:3:3:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[6]-3:C[6]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[5,6](C[5]C[6a]C[5]H)(C[5]C[5]CH)(C[6]C[6]H)2	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]C[5]CC)(H){5|C<3>,7|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[5]C[5]CH)(C[6]C[6]H)2{2|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,5|C<3>}	117.5680	0.322	2	117.5680	0.104	2	117.7770	0.183	3	117.6260	0.213	4	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:4:1:	4:4:3:3:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[6]-3:C[6]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]O[5]CC)(H)	C[5,6](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6]C[5,6]H)(C[6]C[6]O)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]O[5]CC)(H){1|O<1>,4|H<1>,5|C<3>}	C[5,6](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6]C[5,6]H)(C[6]C[6]O){1|H<1>,1|O<2>,7|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,5|C<3>}	118.1950	0.000	1	118.1950	0.000	1	117.7770	0.183	3	117.6260	0.213	4	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:4:1:	4:4:3:4:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[5,6]O)(C[6]N[6]HH)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[5,6]O)(C[6]N[6]HH){1|N<2>,1|O<1>,1|O<2>,2|H<1>,4|C<3>,4|C<4>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	115.2850	0.000	1	115.6613	0.249	3	116.1909	0.671	14	116.2959	1.256	19	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:4:1:	4:4:3:4:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[5,6]O)(C[6]N[6]HH)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[5,6]O)(C[6]N[6]HH){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>,4|C<4>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	115.8495	0.535	2	115.6613	0.249	3	116.1909	0.671	14	116.2959	1.256	19	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:4:1:	4:4:3:4:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[5a,6]O)(C[6]C[6]HH)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|O<1>,2|C<4>,4|H<1>,5|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[5a,6]O)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,4|H<1>,6|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	116.7830	0.000	1	116.7830	0.000	1	116.1909	0.671	14	116.2959	1.256	19	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:4:1:	4:4:3:4:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|Cl<1>,1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,4|H<1>,6|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	116.5667	0.856	3	116.5667	0.732	3	116.1909	0.671	14	116.2959	1.256	19	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:4:1:	4:4:3:4:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|O<1>,4|H<1>,6|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH){1|O<1>,4|H<1>,8|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	115.9120	0.000	1	116.1690	0.132	2	116.1909	0.671	14	116.2959	1.256	19	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:4:1:	4:4:3:4:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|O<1>,2|C<4>,4|H<1>,5|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH){1|C<4>,1|O<1>,3|H<1>,8|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	116.4260	0.000	1	116.1690	0.132	2	116.1909	0.671	14	116.2959	1.256	19	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:4:1:	4:4:3:4:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]O[6]HH)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]O[6]HH){1|C<4>,1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	116.7620	0.000	1	116.9547	0.028	3	116.1909	0.671	14	116.2959	1.256	19	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:4:1:	4:4:3:4:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]O[6]HH)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]O[6]HH){1|C<4>,1|O<1>,2|H<1>,7|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	117.0510	0.033	2	116.9547	0.028	3	116.1909	0.671	14	116.2959	1.256	19	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:4:1:	4:4:3:4:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,6](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[6]C[5a,6]O)(C[6]C[6]HH)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|O<1>,2|C<4>,4|H<1>,5|C<3>}	C[5,6](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[6]C[5a,6]O)(C[6]C[6]HH){1|C<4>,1|N<3>,2|O<1>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	115.4330	0.000	1	115.4330	0.000	1	116.1909	0.671	14	116.2959	1.256	19	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:4:1:	4:4:3:4:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,6](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]O[6]HH)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[5,6](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]O[6]HH){1|C<4>,2|H<1>,2|O<1>,6|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	114.5700	0.000	1	114.5700	0.000	1	116.1909	0.671	14	116.2959	1.256	19	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:4:1:	4:4:3:4:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	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]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[6a]C[5]H)(C[6]C[6]O)(CH3)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)(C[6a]O[6a]H)	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[6a]C[5]H)(C[6]C[6]O)(CH3){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)(C[6a]O[6a]H){2|C<3>,3|C<4>,3|H<1>}	115.6265	0.445	2	115.6265	0.198	2	115.6265	0.198	2	116.2959	1.256	19	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:4:1:	4:4:3:4:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5,6](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[6,6a]O)(C[6]O[6]HH)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|O<1>,1|O<2>,4|C<3>,6|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[6,6a]O)(C[6]O[6]HH){2|H<1>,7|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	117.2327	2.237	3	117.2327	5.005	3	117.2327	5.005	3	116.2959	1.256	19	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:4:1:	4:4:4:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H){5|C<3>,6|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	113.9910	0.000	1	113.9910	0.000	1	114.9067	2.313	10	114.4885	3.285	13	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:4:1:	4:4:4:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[5]C[6]Br)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|Br<1>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]Br)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){1|Br<1>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,4|H<1>}	117.5170	0.000	1	117.5170	0.000	1	114.9067	2.313	10	114.4885	3.285	13	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:4:1:	4:4:4:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[6a]C[5]H)(C[6]O[6]HH)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[6a]C[5]H)(C[6]O[6]HH)(H){1|H<1>,1|O<1>,5|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	113.7130	0.000	1	113.7130	0.000	1	114.9067	2.313	10	114.4885	3.285	13	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:4:1:	4:4:4:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CO)(H)	C[5,6](C[5,6]C[5]O[6]C)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CO)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]O[6]C)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	115.0700	0.532	2	115.0700	0.283	2	114.9067	2.313	10	114.4885	3.285	13	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:4:1:	4:4:4:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,5|H<1>}	116.5360	0.000	1	114.7412	2.818	5	114.9067	2.313	10	114.4885	3.285	13	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:4:1:	4:4:4:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,6|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,5|H<1>}	116.2240	0.000	1	114.7412	2.818	5	114.9067	2.313	10	114.4885	3.285	13	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:4:1:	4:4:4:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){2|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,5|H<1>}	113.6487	1.065	3	114.7412	2.818	5	114.9067	2.313	10	114.4885	3.285	13	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:4:1:	4:4:4:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:S[6]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]S[6]H)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(S[6]N[6]OO)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]S[6]H)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|N<3>,2|O<1>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(S[6]N[6]OO)(H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|S<4>,5|H<1>}	110.4040	0.000	1	110.4040	0.000	1	110.4040	0.000	1	114.4885	3.285	13	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:4:1:	4:4:4:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,7|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<4>,2|C<4>,5|H<1>}	114.4395	0.404	2	114.4395	0.163	2	114.4395	0.163	2	114.4885	3.285	13	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:4:1:	4:4:4:2:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-2:	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]N[5]HH)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]O[6]HH)(CN)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]O[6]HH)(CN){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|N<3>,2|C<4>,4|H<1>}	115.9270	0.000	1	115.9270	0.000	1	115.9270	0.000	1	115.6300	0.176	2	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:4:1:	4:4:4:2:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[6]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]HO)(O[5]C[5])	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[6]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]HO)(O[5]C[5]){1|C<4>,2|C<3>,8|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	115.3330	0.000	1	115.3330	0.000	1	115.3330	0.000	1	115.6300	0.176	2	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:4:1:	4:4:4:3:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,6](C[5,5]C[5,6a]2N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,5]C[5,6a]2N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O){1|N<2>,3|C<4>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	117.6145	0.021	2	117.6145	0.000	2	116.3081	1.830	28	116.0299	1.612	39	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:4:1:	4:4:4:3:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[5,6]HH)(C[6]C[6]O)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|O<1>,2|C<4>,4|H<1>,5|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[5,6]HH)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,2|H<1>,2|O<2>,5|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	115.9960	0.000	1	117.3410	5.347	3	116.3081	1.830	28	116.0299	1.612	39	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:4:1:	4:4:4:3:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[5,6]HH)(C[6]C[6]O)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|O<1>,2|C<4>,4|H<1>,5|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[5,6]HH)(C[6]C[6]O){1|O<1>,2|C<4>,2|H<1>,2|O<2>,6|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	118.0135	2.825	2	117.3410	5.347	3	116.3081	1.830	28	116.0299	1.612	39	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:4:1:	4:4:4:3:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]HH)(C[6]O[6]O)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]HH)(C[6]O[6]O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	116.9610	1.167	4	116.9610	1.362	4	116.3081	1.830	28	116.0299	1.612	39	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:4:1:	4:4:4:3:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|O<1>,2|C<4>,4|H<1>,5|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	118.0580	1.147	2	118.0580	1.315	2	116.3081	1.830	28	116.0299	1.612	39	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:4:1:	4:4:4:3:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|Cl<1>,1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<4>,6|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	114.6430	0.000	1	115.7195	2.318	2	116.3081	1.830	28	116.0299	1.612	39	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:4:1:	4:4:4:3:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|Cl<1>,1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O){1|N<3>,1|O<1>,3|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	116.7960	0.000	1	115.7195	2.318	2	116.3081	1.830	28	116.0299	1.612	39	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:4:1:	4:4:4:3:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O){1|N<3>,1|O<1>,2|H<1>,3|C<4>,5|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	115.6692	0.602	11	115.6503	0.657	13	116.3081	1.830	28	116.0299	1.612	39	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:4:1:	4:4:4:3:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<4>,6|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	115.5465	2.060	2	115.6503	0.657	13	116.3081	1.830	28	116.0299	1.612	39	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:4:1:	4:4:4:3:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,6](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|O<1>,2|C<4>,4|H<1>,5|C<3>}	C[5,6](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]O){2|C<4>,2|O<1>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	115.5530	0.000	1	115.5530	0.000	1	116.3081	1.830	28	116.0299	1.612	39	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:4:1:	4:4:4:3:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,6](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[5,6](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O){2|H<1>,2|O<1>,3|C<4>,5|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	114.9700	0.000	1	114.9700	0.000	1	116.3081	1.830	28	116.0299	1.612	39	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:4:1:	4:4:4:3:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	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]N[5]HH)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]O[6]HH)(COO)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]O[6]HH)(COO){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	114.9861	0.332	7	114.9861	0.110	7	115.1634	0.346	8	116.0299	1.612	39	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:4:1:	4:4:4:3:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	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]N[5]HH)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]S[6]HH)(COO)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|S<2>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]S[6]HH)(COO){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	116.4040	0.000	1	116.4040	0.000	1	115.1634	0.346	8	116.0299	1.612	39	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:4:1:	4:4:4:3:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:N-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]N)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]O[6]HH)(NOO)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6]C[6]N)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]O[6]HH)(NOO){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	115.3495	0.257	2	115.3495	0.066	2	115.3495	0.066	2	116.0299	1.612	39	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:4:1:	4:4:4:3:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6]HH)2(N[5]C[5]S)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|S<4>,2|C<3>,2|C<4>,8|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6]HH)2(N[5]C[5]S){1|C<4>,2|C<3>,8|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	116.5330	0.000	1	116.5330	0.000	1	116.5330	0.000	1	116.0299	1.612	39	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:4:1:	4:4:4:4:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	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]C[5]CH)(H)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(CH3)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]O)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,3|O<2>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(CH3){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]O)2{3|C<3>,3|C<4>,3|H<1>}	118.0390	0.000	1	118.0390	0.000	1	116.8420	1.723	8	116.8420	1.723	8	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:4:1:	4:4:4:4:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	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]C[5]HH)(H)	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(CH3)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,3|C<3>,7|H<1>}	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){2|C<3>,3|H<1>,4|C<4>}	117.6090	0.000	1	117.6090	0.000	1	116.8420	1.723	8	116.8420	1.723	8	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:4:1:	4:4:4:4:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	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]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(CH3)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<3>,1|N<2>,2|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,7|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,3|H<1>,4|C<4>}	116.5300	0.000	1	116.5300	0.000	1	116.8420	1.723	8	116.8420	1.723	8	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:4:1:	4:4:4:4:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	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]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(CH3)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)(C[6a]O[6a]H)	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,7|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)(C[6a]O[6a]H){1|C<3>,3|H<1>,4|C<4>}	115.9170	0.964	2	115.9170	0.930	2	116.8420	1.723	8	116.8420	1.723	8	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:4:1:	4:4:4:4:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	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]C[5]HO)(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(CH3)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)(C[6a]O[6a]H)	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HO)(H){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)(C[6a]O[6a]H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	116.9080	1.909	3	116.9080	3.645	3	116.8420	1.723	8	116.8420	1.723	8	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:4:3:	4:4:3:2:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:C-3:	C[5,6]-4:C[5]-4:C[6]-3:C-2:	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]HH)(CCH)	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[6a]C[5]C)(C[6]C[6,6a]O)(CN)	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]HH)(CCH){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[6a]C[5]C)(C[6]C[6,6a]O)(CN){2|H<1>,4|C<3>}	C[6a](C[5]C[5,6]C[5]C)(C[6a]C[6a]H)2{1|C<2>,1|C<4>,1|O<2>,2|C<3>,4|H<1>}	112.2520	3.677	2	112.2520	13.520	2	112.2520	13.520	2	112.2520	13.520	2	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:3:4:3:	4:4:4:2:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:C-3:	C[5,6]-4:C[5]-4:C[6]-4:C-2:	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]HH)(CCH)	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[6a]C[5]C)(C[6]C[6,6a]HO)(CN)	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]HH)(CCH){2|O<2>,3|C<3>,4|H<1>}	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[6a]C[5]C)(C[6]C[6,6a]HO)(CN){2|H<1>,4|C<3>}	C[6a](C[5]C[5,6]C[5]C)(C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|O<2>,2|C<4>,4|H<1>}	116.1730	0.000	1	116.1730	0.000	1	116.1730	0.000	1	116.1730	0.000	1	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:4:3:1:	3:3:4:1:	4:3:3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	N[5,6,6]-3:C[6,6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]N[5,6,6]C[6,6a]H)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[5,6](N[5,6,6]C[6,6,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6]N[5,6,6]C[6,6a]H)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H){2|H<1>,9|C<3>}	C[5,6](N[5,6,6]C[6,6,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(H){3|H<1>,8|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	114.7465	0.237	2	114.7465	0.056	2	114.7465	0.056	2	114.7465	0.056	2	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:4:3:1:	3:4:3:1:	4:3:3:	C[5,6]-4:C[5,5]-4:C[6a]-3:H-1:	C[6,6a]-3:C[5]-4:N[5,6]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,5]C[6a]H)(N[5,6]C[5,5]C[6])(H)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,7|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,5]C[6a]H)(N[5,6]C[5,5]C[6])(H){2|C<4>,3|H<1>,7|C<3>}	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	116.8420	0.000	1	116.8420	0.000	1	116.8420	0.000	1	116.8420	0.000	1	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:4:3:1:	3:4:4:1:	4:3:3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6,6a]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,6|C<3>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	114.1230	0.000	1	114.1230	0.000	1	114.1230	0.000	1	113.9608	1.576	8	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:4:3:1:	3:4:4:1:	4:3:3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[6a]C[5]H)(C[6]C[6,6a]HH)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,5|C<3>}	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[6a]C[5]H)(C[6]C[6,6a]HH)(H){3|H<1>,7|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	113.9560	0.666	2	113.9560	0.444	2	113.9376	1.833	7	113.9608	1.576	8	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:4:3:1:	3:4:4:1:	4:3:3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	C[5,6](N[5,6]C[5,5]S[6])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){1|S<4>,2|C<3>,3|C<4>,4|H<1>}	C[5,6](N[5,6]C[5,5]S[6])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,2|O<1>,4|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,5|H<1>}	113.4010	1.285	4	113.4010	1.651	4	113.9376	1.833	7	113.9608	1.576	8	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:4:3:1:	3:4:4:1:	4:3:3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[5,6](N[5,6]C[5,6]S[6])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|S<4>,2|C<3>,3|C<4>,4|H<1>}	C[5,6](N[5,6]C[5,6]S[6])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,2|O<1>,4|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,5|H<1>}	116.0470	0.000	1	116.0470	0.000	1	113.9376	1.833	7	113.9608	1.576	8	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:4:3:1:	4:2:3:2:	4:3:3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:O[5,6]-2:C[6]-3:C-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(O[5,6]C[5,6])(C[6]C[6]H)(CN)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|N<3>,3|H<1>,4|C<3>}	C[5,6](C[5]C[6a]C[5]H)(O[5,6]C[5,6])(C[6]C[6]H)(CN){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<2>,1|C<4>,1|O<2>,2|C<3>,4|H<1>}	113.8775	1.363	2	113.8775	1.857	2	113.8775	1.857	2	113.8775	1.857	2	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:4:3:1:	4:2:3:3:	4:3:3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:O[5,6]-2:C[6]-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(O[5,6]C[5,6])(C[6]C[6]O)(COO)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5]C[6a]C[5]H)(O[5,6]C[5,6])(C[6]C[6]O)(COO){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|O<2>,3|C<3>,3|H<1>}	118.7810	0.000	1	118.7810	0.000	1	118.7810	0.000	1	118.7810	0.000	1	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:4:3:1:	4:2:4:1:	4:3:3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:O[5,6]-2:C[6]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(O[5,6]C[5,6])(C[6]C[6]CH)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5]C[6a]C[5]H)(O[5,6]C[5,6])(C[6]C[6]CH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,5|H<1>}	112.3130	1.126	2	112.3130	1.267	2	112.3130	1.267	2	112.3130	1.267	2	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:4:3:1:	4:2:4:4:	4:3:3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:O[5,6]-2:C[6]-4:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]CH)(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(O[5,6]C[5,6])(C[6]C[6]HH)(CCCH)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]CH)(C[6a]C[6a]2)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5]C[6a]C[5]H)(O[5,6]C[5,6])(C[6]C[6]HH)(CCCH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	120.3860	0.000	1	120.3860	0.000	1	120.3860	0.000	1	120.3860	0.000	1	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:4:3:1:	4:3:2:2:	4:3:3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6]-3:O[5]-2:S[6]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[6]O[5]S[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(O[5]N[5])(S[6]C[6])	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[6]O[5]S[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(O[5]N[5])(S[6]C[6]){3|H<1>,6|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,1|S<2>,3|C<3>,3|H<1>}	118.8440	0.000	1	118.8440	0.000	1	118.8440	0.000	1	118.8440	0.000	1	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:4:3:1:	4:3:2:4:	4:3:3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[5,6]-3:N[6]-2:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(N[6]N[6])(CH3)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(N[6]N[6])(CH3){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<2>,2|C<4>,3|C<3>,3|H<1>}	112.6595	1.129	2	112.6595	1.275	2	112.6595	1.275	2	113.2057	1.532	3	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:4:3:1:	4:3:2:4:	4:3:3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6]-3:O[5,6]-2:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[5a,6]O)(O[5,6]C[5,6])(CH3)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|O<1>,3|H<1>,4|C<3>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[5a,6]O)(O[5,6]C[5,6])(CH3){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	114.2980	0.000	1	114.2980	0.000	1	114.2980	0.000	1	113.2057	1.532	3	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:4:3:1:	4:3:3:1:	4:3:3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[5,6]-3:C[6]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(C[6]C[6]O)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)(C[6a]C[6a]2)(H){2|O<1>,3|H<1>,4|C<3>}	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(C[6]C[6]O)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	115.7440	0.000	1	115.7440	0.000	1	115.7440	0.000	1	115.7440	0.000	1	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:4:3:1:	4:3:3:3:	4:3:3:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[6]-3:C[6]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(H)	C[5,6](C[5]C[5,5]C[6a]H)(C[5]N[5]S)(C[6]N[6]O)2	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(H){1|S<1>,3|H<1>,3|N<3>,3|O<1>,4|C<3>}	C[5,6](C[5]C[5,5]C[6a]H)(C[5]N[5]S)(C[6]N[6]O)2{1|H<1>,2|C<4>,5|C<3>}	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,6|C<3>}	117.0100	0.000	1	116.9370	2.923	3	116.9370	2.923	3	116.9370	2.923	3	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:4:3:1:	4:3:3:3:	4:3:3:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[6]-3:C[6]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(H)	C[5,6](C[5]C[5,5]C[6a]H)(C[5]N[5]S)(C[6]N[6]O)2	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(H){1|S<2>,2|H<1>,3|N<3>,3|O<1>,4|C<3>}	C[5,6](C[5]C[5,5]C[6a]H)(C[5]N[5]S)(C[6]N[6]O)2{2|C<4>,5|C<3>}	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,6|C<3>}	116.9005	2.416	2	116.9370	2.923	3	116.9370	2.923	3	116.9370	2.923	3	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:4:3:1:	4:3:3:4:	4:3:3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[5,6]-3:N[6]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(N[6]N[6]C)(CH3)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,2|H<1>,2|N<2>,4|C<3>}	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(N[6]N[6]C)(CH3){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	112.0325	0.138	2	112.0325	0.019	2	112.0325	0.019	2	112.0325	0.019	2	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:4:3:1:	4:3:4:1:	4:3:3:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5]-4:N[5,6]-3:C[6]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]C)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H)	C[5,6](C[5]C[5,5]C[6a]H)(N[5,6]C[5,5]C[6])(C[6]C[6]HH)(H)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]C)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,3|C<3>,7|H<1>}	C[5,6](C[5]C[5,5]C[6a]H)(N[5,6]C[5,5]C[6])(C[6]C[6]HH)(H){2|C<4>,4|C<3>,5|H<1>}	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	119.3180	0.662	2	119.3180	0.438	2	117.7393	7.696	3	116.4189	6.152	15	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:4:3:1:	4:3:4:1:	4:3:3:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5]-4:N[5,6]-3:C[6]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H)	C[5,6](C[5]C[5,5]C[6a]H)(N[5,6]C[5,5]C[6])(C[6]C[6,6a]HH)(H)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,4|C<3>,7|H<1>}	C[5,6](C[5]C[5,5]C[6a]H)(N[5,6]C[5,5]C[6])(C[6]C[6,6a]HH)(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	114.5820	0.000	1	114.5820	0.000	1	117.7393	7.696	3	116.4189	6.152	15	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:4:3:1:	4:3:4:1:	4:3:3:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5]-4:N[5,6]-3:C[6]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,5]C[6]2)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H)	C[5,6](C[5]C[5,6]C[6a]H)(N[5,6]C[5,5]C[6])(C[6]C[6]HH)(H)	C[6a](C[5]C[5,6]2H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,6]C[5,5]C[6]2)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H){1|Cl<1>,1|N<3>,1|O<1>,2|C<4>,5|C<3>,5|H<1>}	C[5,6](C[5]C[5,6]C[6a]H)(N[5,6]C[5,5]C[6])(C[6]C[6]HH)(H){2|C<4>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,6]2H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	114.5440	0.000	1	114.5440	0.000	1	116.4663	3.507	8	116.4189	6.152	15	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:4:3:1:	4:3:4:1:	4:3:3:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5]-4:N[5,6]-3:C[6]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,5]C[6]2)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H)	C[5,6](C[5]C[5,6]C[6a]H)(N[5,6]C[5,5]C[6])(C[6]C[6]HH)(H)	C[6a](C[5]C[5,6]2H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,5]C[6]2)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,5|C<3>,6|H<1>}	C[5,6](C[5]C[5,6]C[6a]H)(N[5,6]C[5,5]C[6])(C[6]C[6]HH)(H){2|C<4>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,6]2H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	115.7612	0.690	4	115.7612	0.476	4	116.4663	3.507	8	116.4189	6.152	15	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:4:3:1:	4:3:4:1:	4:3:3:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5]-4:N[5,6]-3:C[6]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H)	C[5,6](C[5]C[5,6]C[6a]H)(N[5,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6a](C[5]C[5,6]2H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,3|C<3>,7|H<1>}	C[5,6](C[5]C[5,6]C[6a]H)(N[5,6]C[5,6]C[6])(C[6]C[6]HH)(H){2|C<4>,4|C<3>,5|H<1>}	C[6a](C[5]C[5,6]2H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	118.0470	2.229	3	118.0470	4.970	3	116.4663	3.507	8	116.4189	6.152	15	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:4:3:1:	4:3:4:1:	4:3:3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[5,6]-3:C[6]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]BrN)(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(C[6]C[6]HH)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]BrN)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(C[6]C[6]HH)(H){1|Br<1>,1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|Br<1>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	118.8200	0.000	1	118.8200	0.000	1	118.2825	0.578	2	116.4189	6.152	15	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:4:3:1:	4:3:4:1:	4:3:3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[5,6]-3:C[6]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(C[6]C[6]CO)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(C[6]C[6]CO)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,4|H<1>}	117.7450	0.000	1	117.7450	0.000	1	118.2825	0.578	2	116.4189	6.152	15	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:4:3:1:	4:3:4:1:	4:3:3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:N[5,6]-3:C[6]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(N[5,6]C[5,6]C)(C[6]O[6]HH)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,5|H<1>}	C[5,6](C[5]C[6a]C[5]H)(N[5,6]C[5,6]C)(C[6]O[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	112.3850	0.935	2	112.3850	0.874	2	112.3850	0.874	2	116.4189	6.152	15	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:4:3:1:	4:3:4:2:	4:3:3:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5]-4:C[6]-3:C[6]-4:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[4,5]N[5,5]H)(C[5,6]C[6]2O[5])(C[6a]C[6a]2)(H)	C[5,6](C[5]C[5,5]C[6a]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(O[5]N[5,5])	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[4,5]N[5,5]H)(C[5,6]C[6]2O[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,3|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5]C[5,5]C[6a]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(O[5]N[5,5]){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	115.7500	0.000	1	115.7500	0.000	1	115.4735	0.153	2	115.4735	0.153	2	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:4:3:1:	4:3:4:2:	4:3:3:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5]-4:C[6]-3:C[6]-4:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[4,5]N[5,5]H)(C[5,6]C[6]2O[5])(C[6a]C[6a]2)(H)	C[5,6](C[5]C[5,5]C[6a]H)(C[6]C[6,6a]O)(C[6]O[6]HH)(O[5]N[5,5])	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[4,5]N[5,5]H)(C[5,6]C[6]2O[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5]C[5,5]C[6a]H)(C[6]C[6,6a]O)(C[6]O[6]HH)(O[5]N[5,5]){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	115.1970	0.000	1	115.1970	0.000	1	115.4735	0.153	2	115.4735	0.153	2	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:4:3:1:	4:3:4:3:	4:3:3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[5,6]-3:C[6]-4:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(C[6]O[6]HH)(CCH)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(C[6]O[6]HH)(CCH){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	115.7430	0.000	1	115.7430	0.000	1	115.7430	0.000	1	115.7430	0.000	1	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:4:3:1:	4:3:4:4:	4:3:3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6]-3:C[5]-4:C[6]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[5]N[5]CH)(C[6]C[6]HH)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,5|H<1>,6|C<3>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[5]N[5]CH)(C[6]C[6]HH){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,2|N<3>,3|C<3>}	117.7450	0.000	1	117.7450	0.000	1	117.6010	0.064	3	117.6010	0.064	3	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:4:3:1:	4:3:4:4:	4:3:3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6]-3:C[5]-4:C[6]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[5]N[5]CH)(C[6]O[6]HH)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>,6|C<3>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[5]N[5]CH)(C[6]O[6]HH){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	117.5290	0.313	2	117.5290	0.098	2	117.6010	0.064	3	117.6010	0.064	3	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:4:3:1:	4:4:2:3:	4:3:3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[3,6]-4:C[5]-4:O[5,6]-2:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[3,6]O[5,6]C)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[5,6](C[3,6]C[6,6a]C[3]2)(C[5]C[6a]C[5]H)(O[5,6]C[5,6])(COO)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[3,6]O[5,6]C)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[3,6]C[6,6a]C[3]2)(C[5]C[6a]C[5]H)(O[5,6]C[5,6])(COO){5|C<3>,6|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	115.3460	0.000	1	115.3460	0.000	1	115.3460	0.000	1	115.3460	0.000	1	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5,6]C[5,6a]H)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]C[6a]H)(C[6]C[6]C)(H)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5,6]C[5,6a]H)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|F<1>,4|H<1>,6|C<3>}	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]C[6a]H)(C[6]C[6]C)(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	118.6900	0.000	1	118.6900	0.000	1	118.6900	0.000	1	116.8290	3.501	3	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5]-4:C[5,6]-4:C[6]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(H)	C[5,6](C[5]C[5,5]C[6a]H)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,5|C<3>,6|H<1>}	C[5,6](C[5]C[5,5]C[6a]H)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	116.8490	0.000	1	116.8490	0.000	1	116.8490	0.000	1	116.8290	3.501	3	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]N[6]O)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|O<1>,2|N<3>,3|H<1>,5|C<3>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]N[6]O)(H){2|H<1>,6|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	114.9480	0.000	1	114.9480	0.000	1	114.9480	0.000	1	116.8290	3.501	3	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:4:3:1:	4:4:3:2:	4:3:3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:O[6]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6a]O[6])(C[5]C[5,6]CH)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6a]O[6])(C[5]C[5,6]CH)(C[6a]C[6a]2)(H){2|O<2>,3|H<1>,6|C<3>}	C[5,6](C[5,6]C[5,6]HO)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a]){1|O<2>,3|H<1>,7|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	118.2485	1.068	2	118.2485	1.142	2	118.2485	1.142	2	118.2485	1.142	2	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:4:3:1:	4:4:3:3:	4:3:3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HN)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]C[5]H)(C[6]C[6]O)(COO)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HN)(C[6a]C[6a]2)(H){1|Cl<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]C[5]H)(C[6]C[6]O)(COO){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	118.2385	0.605	2	118.2385	0.366	2	118.2385	0.366	2	118.2385	0.366	2	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:4:3:1:	4:4:3:4:	4:3:3:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H)	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H){1|O<1>,1|S<2>,2|C<4>,5|C<3>,6|H<1>}	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]C[6,6a]O)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<4>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	115.6930	0.767	2	115.6930	0.588	2	115.7053	0.294	3	116.2327	5.188	9	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:4:3:1:	4:4:3:4:	4:3:3:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H)	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]C[6,6a]O)(C[6]O[6]HH)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,1|S<2>,5|C<3>,6|H<1>}	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]C[6,6a]O)(C[6]O[6]HH){1|H<1>,1|N<3>,1|O<1>,2|C<4>,6|C<3>}	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	115.7300	0.000	1	115.7300	0.000	1	115.7053	0.294	3	116.2327	5.188	9	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:4:3:1:	4:4:3:4:	4:3:3:	C[5,6]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]2N[5])(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5,5]C[6a]H)(C[6]O[6]O)(CCHH)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]2N[5])(C[6a]C[6a]2)(H){1|C<4>,2|O<1>,2|O<2>,3|C<3>,6|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5,5]C[6a]H)(C[6]O[6]O)(CCHH){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>,3|C<4>}	118.7445	1.527	2	118.7445	2.331	2	118.7445	2.331	2	116.2327	5.188	9	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:4:3:1:	4:4:3:4:	4:3:3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,5]C[6]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]N[6]HH)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,5]C[6]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,5|H<1>,7|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]N[6]HH){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	116.2660	0.000	1	116.2660	0.000	1	116.2660	0.000	1	116.2327	5.188	9	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:4:3:1:	4:4:3:4:	4:3:3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C[5,6]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]2C)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]O[5,6]C[5]H)(C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(CH3)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]2C)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]O[5,6]C[5]H)(C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(CH3){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,4|H<1>}	112.0700	0.000	1	112.0700	0.000	1	112.0700	0.000	1	116.2327	5.188	9	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:4:3:1:	4:4:3:4:	4:3:3:	C[5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C[5,6]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6]C[6a]H)(C[5,6]C[5,6]2C)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]O[5,6]C[5]H)(C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(CH3)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6]C[6a]H)(C[5,6]C[5,6]2C)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,5|C<3>}	C[5,6](C[5,6]O[5,6]C[5]H)(C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(CH3){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	116.5765	2.751	2	116.5765	7.570	2	116.5765	7.570	2	116.2327	5.188	9	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]S[5]H)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5,5]C[6]O)(C[5]C[5,5]C[6a]H)(C[6]C[6]HH)(H)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]S[5]H)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,2|O<1>,5|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,5]C[6]O)(C[5]C[5,5]C[6a]H)(C[6]C[6]HH)(H){1|C<4>,1|S<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,3|C<4>,4|H<1>}	117.4020	0.000	1	117.4020	0.000	1	117.2865	0.027	2	116.0388	3.396	6	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]N[5,5]H)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]N[5,5]C[6]H)(C[5]C[5,5]C[6a]H)(C[6]C[6]HH)(H)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]N[5,5]H)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(H){1|S<4>,2|C<4>,4|C<3>,5|H<1>}	C[5,6](C[5,6]N[5,5]C[6]H)(C[5]C[5,5]C[6a]H)(C[6]C[6]HH)(H){1|C<4>,1|S<4>,3|C<3>,5|H<1>}	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	117.1710	0.000	1	117.1710	0.000	1	117.2865	0.027	2	116.0388	3.396	6	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:S[6]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]S[6]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]C[6a]H)(S[6]N[6]OO)(H)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]S[6]H)(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,2|O<1>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]C[6a]H)(S[6]N[6]OO)(H){1|H<1>,3|C<4>,4|C<3>}	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|S<4>,2|C<4>,4|H<1>}	118.2230	0.000	1	118.2230	0.000	1	118.2230	0.000	1	116.0388	3.396	6	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	C[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[6]O[6]HH)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){2|O<2>,4|H<1>,5|C<3>}	C[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[6]O[6]HH)(H){1|C<2>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,5|H<1>}	115.2490	0.000	1	115.2490	0.000	1	115.2490	0.000	1	116.0388	3.396	6	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[6,6a]C[5,6]O)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H){1|O<2>,3|C<4>,4|H<1>,5|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,6]O)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){2|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,4|H<1>}	113.4300	0.000	1	113.4300	0.000	1	114.0940	0.882	2	116.0388	3.396	6	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5,6]CO)(C[5]C[6a]C[5]H)(C[6]C[5a,6]HO)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6]CO)(C[5]C[6a]C[5]H)(C[6]C[5a,6]HO)(H){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,5|H<1>}	114.7580	0.000	1	114.7580	0.000	1	114.0940	0.882	2	116.0388	3.396	6	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:4:3:1:	4:4:4:3:	4:3:3:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H)	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]C[6,6a]HH)(C[6]O[6]O)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,5|C<3>,6|H<1>}	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]C[6,6a]HH)(C[6]O[6]O){1|H<1>,1|N<3>,1|O<1>,2|C<4>,6|C<3>}	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	118.9300	0.000	1	118.9300	0.000	1	115.6989	1.942	11	116.5717	3.271	25	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:4:3:1:	4:4:4:3:	4:3:3:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H)	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H){1|O<1>,1|S<2>,2|C<4>,5|C<3>,6|H<1>}	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,1|O<1>,3|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	116.1990	0.000	1	116.1990	0.000	1	115.6989	1.942	11	116.5717	3.271	25	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:4:3:1:	4:4:4:3:	4:3:3:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H)	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]N[6]HH)(C[6]C[6]O)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H){1|Cl<1>,1|C<4>,1|N<3>,1|O<1>,1|S<2>,5|C<3>,5|H<1>}	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]N[6]HH)(C[6]C[6]O){1|H<1>,1|O<1>,4|C<4>,6|C<3>}	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>,3|C<4>}	114.0590	0.000	1	114.0590	0.000	1	115.6989	1.942	11	116.5717	3.271	25	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:4:3:1:	4:4:4:3:	4:3:3:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H)	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]N[6]HH)(C[6]C[6]O)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,5|C<3>,6|H<1>}	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]N[6]HH)(C[6]C[6]O){1|H<1>,1|O<1>,4|C<4>,6|C<3>}	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	115.3357	0.858	6	115.4375	0.785	8	115.6989	1.942	11	116.5717	3.271	25	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:4:3:1:	4:4:4:3:	4:3:3:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H)	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]N[6]HH)(C[6]C[6]O)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,5|C<3>,6|H<1>}	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6]N[6]HH)(C[6]C[6]O){1|H<1>,1|N<3>,1|O<1>,4|C<4>,5|C<3>}	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	115.7430	1.250	2	115.4375	0.785	8	115.6989	1.942	11	116.5717	3.271	25	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:4:3:1:	4:4:4:3:	4:3:3:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]C[6a]H)(C[6]N[6]HH)(COO)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,3|C<3>,7|H<1>}	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]C[6a]H)(C[6]N[6]HH)(COO){1|H<1>,1|S<4>,2|C<4>,4|C<3>}	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	118.8420	0.000	1	118.8420	0.000	1	118.9352	2.308	4	116.5717	3.271	25	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:4:3:1:	4:4:4:3:	4:3:3:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]C[6a]H)(C[6]O[6]HH)(COO)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,1|S<2>,3|C<3>,7|H<1>}	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]C[6a]H)(C[6]O[6]HH)(COO){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	117.3910	0.000	1	118.9663	3.456	3	118.9352	2.308	4	116.5717	3.271	25	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:4:3:1:	4:4:4:3:	4:3:3:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]C[6a]H)(C[6]O[6]HH)(COO)	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,3|C<3>,7|H<1>}	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]C[6a]H)(C[6]O[6]HH)(COO){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[5]C[5,5]C[5,6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	119.7540	1.786	2	118.9663	3.456	3	118.9352	2.308	4	116.5717	3.271	25	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:4:3:1:	4:4:4:3:	4:3:3:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,5]C[6]2)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,5]C[5,6a]N[5,6]C[5])(C[5]C[5,6]C[6a]H)(C[6]N[6]HH)(C[6]C[6]O)	C[6a](C[5]C[5,6]2H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,6]C[5,5]C[6]2)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H){1|Cl<1>,1|N<3>,1|O<1>,2|C<4>,5|C<3>,5|H<1>}	C[5,6](C[5,5]C[5,6a]N[5,6]C[5])(C[5]C[5,6]C[6a]H)(C[6]N[6]HH)(C[6]C[6]O){1|H<1>,1|O<1>,4|C<4>,6|C<3>}	C[6a](C[5]C[5,6]2H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	114.9780	0.000	1	114.9780	0.000	1	116.0980	0.443	5	116.5717	3.271	25	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:4:3:1:	4:4:4:3:	4:3:3:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,5]C[6]2)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,5]C[5,6a]N[5,6]C[5])(C[5]C[5,6]C[6a]H)(C[6]N[6]HH)(C[6]C[6]O)	C[6a](C[5]C[5,6]2H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,5]C[6]2)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,5|C<3>,6|H<1>}	C[5,6](C[5,5]C[5,6a]N[5,6]C[5])(C[5]C[5,6]C[6a]H)(C[6]N[6]HH)(C[6]C[6]O){1|H<1>,1|O<1>,4|C<4>,6|C<3>}	C[6a](C[5]C[5,6]2H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	116.3780	0.260	4	116.3780	0.068	4	116.0980	0.443	5	116.5717	3.271	25	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:4:3:1:	4:4:4:3:	4:3:3:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]C[6a]H)(C[6]O[6]HH)(COO)	C[6a](C[5]C[5,6]2H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,3|C<3>,7|H<1>}	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]C[6a]H)(C[6]O[6]HH)(COO){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[5]C[5,6]2H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	117.1123	2.872	3	117.1123	8.251	3	117.1123	8.251	3	116.5717	3.271	25	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:4:3:1:	4:4:4:3:	4:3:3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,5]C[6]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,5]C[6]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,5|H<1>,7|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	116.4030	0.000	1	117.0185	0.758	2	117.0185	0.758	2	116.5717	3.271	25	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:4:3:1:	4:4:4:3:	4:3:3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,5]C[6]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,5]C[6]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,5|H<1>,7|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O){1|O<1>,2|C<4>,2|H<1>,7|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	117.6340	0.000	1	117.0185	0.758	2	117.0185	0.758	2	116.5717	3.271	25	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:4:3:1:	4:4:4:4:	4:3:3:	C[3,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[3,5]C[6,6]H)(C[5]C[3,5]C[6a]H)(C[6]C[6]HH)(CH3)	C[6a](C[5]C[3,5]C[5,6]H)(C[6a]C[6a]H)(C[6a]O[6a]H)	C[5](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[3,5]C[6,6]H)(C[5]C[3,5]C[6a]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6a](C[5]C[3,5]C[5,6]H)(C[6a]C[6a]H)(C[6a]O[6a]H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	118.1610	0.000	1	118.1610	0.000	1	118.1610	0.000	1	119.5658	2.306	4	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:4:3:1:	4:4:4:4:	4:3:3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[6,6a]C[5,6]O)(C[5]C[6a]C[5]H)(C[6]C[6,6a]HO)(C[6]C[6]HH)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H){2|C<4>,2|O<2>,6|C<3>,6|H<1>}	C[5,6](C[5,6]C[6,6a]C[5,6]O)(C[5]C[6a]C[5]H)(C[6]C[6,6a]HO)(C[6]C[6]HH){1|C<4>,4|H<1>,7|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{2|C<3>,3|H<1>,4|C<4>}	118.7520	0.000	1	118.7520	0.000	1	120.0340	2.143	3	119.5658	2.306	4	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:4:3:1:	4:4:4:4:	4:3:3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]HO)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|O<2>,3|C<4>,4|C<3>,6|H<1>}	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]HO){2|C<4>,5|C<3>,6|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<3>,4|C<4>,4|H<1>}	120.6750	1.349	2	120.6750	1.820	2	120.0340	2.143	3	119.5658	2.306	4	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:4:3:3:	4:2:4:1:	4:3:3:	C[5,6]-4:C[5]-4:C[6a]-3:C-3:	C[5]-4:O[5,6]-2:C[6]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(C[6a]C[6a]2)(CCO)	C[5,6](C[5]C[6a]C[5]C)(O[5,6]C[5,6])(C[6]C[6]HH)(H)	C[6a](C[5]C[5,6]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(C[6a]C[6a]2)(CCO){4|C<3>,5|H<1>}	C[5,6](C[5]C[6a]C[5]C)(O[5,6]C[5,6])(C[6]C[6]HH)(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5]C[5,6]C[5]C)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,5|H<1>}	113.4460	0.776	2	113.4460	0.603	2	113.4460	0.603	2	113.4460	0.603	2	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5,6]	C[6a]	4:4:3:3:	4:4:4:1:	4:3:3:	C[5,6]-4:C[5]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]HH)(C[6a]C[6a]2)2	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5]C[6a]2C[5])(C[6]C[6]HH)(H)	C[6a](C[5]C[5,6]C[6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]HH)(C[6a]C[6a]2)2{2|C<4>,5|C<3>,7|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5]C[6a]2C[5])(C[6]C[6]HH)(H){1|C<4>,1|N<2>,5|C<3>,5|H<1>}	C[6a](C[5]C[5,6]C[6a]C[5])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,5|H<1>}	114.1640	0.675	2	114.1640	0.455	2	114.1640	0.455	2	114.1640	0.455	2	115.7531	4.399	427	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	2:3:4:1:	4:3:4:1:	4:3:3:	O[5]-2:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](O[5]C[5,5,6])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]O[5]H)(N[5]C[5,5,6]C)(CH3)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](O[5]C[5,5,6])(C[6a]C[6a]2)(C[5]N[5]CH)(H){2|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[6a]O[5]H)(N[5]C[5,5,6]C)(CH3)(H){2|C<3>,2|C<4>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	114.2752	1.178	4	114.2752	1.388	4	114.2752	1.388	4	114.2752	1.388	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:2:4:1:	4:3:4:1:	4:3:3:	C[6a]-3:O[5]-2:C[5]-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(O[5]As[5,5])(C[5]N[5]CH)(H)	C[5](C[5]C[6a]O[5]H)(N[5]As[5,5]H)(CH3)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(O[5]As[5,5])(C[5]N[5]CH)(H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(N[5]As[5,5]H)(CH3)(H){1|N<3>,1|O<2>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|As<5>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	113.5970	0.151	2	113.5970	0.023	2	113.5970	0.023	2	113.5970	0.023	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:2:4:1:	4:4:4:1:	4:3:3:	C[6a]-3:O[5]-2:C[5]-4:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(O[5]Si[5,5])(C[5]N[5]CH)(H)	C[5](C[5]C[6a]O[5]H)(N[5]Si[5,5]CH)(CH3)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(O[5]Si[5,5])(C[5]N[5]CH)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(N[5]Si[5,5]CH)(CH3)(H){1|N<3>,1|O<2>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|Si<5>,1|C<3>,1|C<4>,1|N<4>,3|H<1>}	114.4270	0.000	1	114.4270	0.000	1	114.4270	0.000	1	114.4270	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:3:4:	4:3:1:1:	4:3:3:	N[5]-3:C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3: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)2(C[5]C[5]HH)	C[5](C[5]C[6a]2N[5])(C[5]C[6a]N[5])(H)2	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)2(C[5]C[5]HH){4|H<1>,7|C<3>}	C[5](C[5]C[6a]2N[5])(C[5]C[6a]N[5])(H)2{7|C<3>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|N<2>,4|H<1>,5|C<3>}	110.3735	1.124	2	110.3735	1.262	2	110.3735	1.262	2	111.4125	12.972	6	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:3:4:	4:3:1:1:	4:3:3:	N[5]-3:C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-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)2(C[5]N[5]HH)	C[5](C[5]C[6a]2N[5])(N[5]C[6a]C[5])(H)2	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)2(C[5]N[5]HH){5|H<1>,7|C<3>}	C[5](C[5]C[6a]2N[5])(N[5]C[6a]C[5])(H)2{1|H<1>,7|C<3>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,4|H<1>,5|C<3>}	111.9320	4.486	4	111.9320	20.120	4	111.9320	20.120	4	111.4125	12.972	6	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:3:4:	4:3:4:1:	4:3:3:	C[6a]-3:C[6a]-3:N[5]-3:C[5]-4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(N[5]P[5,5]H)(C[5]N[5]CH)	C[5](C[5]C[6a]2N[5])(N[5]P[5,5]C)(CCCH)(H)	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(N[5]P[5,5]H)(C[5]N[5]CH){1|C<4>,2|N<3>,4|C<3>,4|H<1>}	C[5](C[5]C[6a]2N[5])(N[5]P[5,5]C)(CCCH)(H){1|H<1>,2|N<3>,4|C<3>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|P<4>,3|C<3>,4|H<1>}	111.8483	3.515	4	111.8483	12.357	4	111.8483	12.357	4	111.8483	12.357	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:3:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-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)2(C[5]C[5]HH)	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]CC)(H)2	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]HH){1|C<2>,2|C<4>,4|H<1>,6|C<3>}	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]CC)(H)2{6|C<3>}	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{1|C<4>,4|H<1>,5|C<3>}	110.9218	0.357	4	110.9218	0.127	4	110.3772	2.610	14	110.3772	2.610	14	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:3:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-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)2(C[5]C[5]HH)	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]CH)(H)2	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]HH){6|H<1>,7|C<3>}	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]CH)(H)2{6|C<3>}	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{1|C<4>,4|H<1>,5|C<3>}	111.7230	3.882	2	111.7230	15.070	2	110.3772	2.610	14	110.3772	2.610	14	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:3:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-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)2(C[5]C[5]HH)	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C[6a]C)(H)2	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]HH){1|C<4>,5|H<1>,7|C<3>}	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C[6a]C)(H)2{8|C<3>}	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{1|C<4>,4|H<1>,5|C<3>}	110.6970	1.277	2	110.6970	1.631	2	110.3772	2.610	14	110.3772	2.610	14	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:3:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-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)2(C[5]C[5]HH)	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]HH)(H)2	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]HH){1|Cl<1>,6|C<3>,6|H<1>}	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]HH)(H)2{6|C<3>}	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{1|C<4>,4|H<1>,5|C<3>}	109.7925	1.283	4	109.4590	1.355	6	110.3772	2.610	14	110.3772	2.610	14	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:3:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-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)2(C[5]C[5]HH)	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]HH)(H)2	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]HH){6|H<1>,7|C<3>}	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]HH)(H)2{6|C<3>}	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{1|C<4>,4|H<1>,5|C<3>}	108.7920	0.711	2	109.4590	1.355	6	110.3772	2.610	14	110.3772	2.610	14	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:3:4:	4:4:2:2:	4:3:3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:C-2:C-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]CC)	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]HH)(CN)2	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]CC){6|C<3>,7|H<1>}	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]HH)(CN)2{6|C<3>}	C[6a](C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{1|C<4>,2|C<2>,2|H<1>,5|C<3>}	109.3770	1.573	2	109.3770	2.473	2	109.3770	2.473	2	109.3770	2.473	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:3:4:	4:4:3:1:	4:3:3:	C[5]-3:N[5]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:C[5]-3: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)(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]N[5])(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)	C[6a](C[5]C[5]2N[5])(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)(C[5]C[5]2H){1|O<1>,4|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5]N[5])(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H){1|H<1>,1|O<1>,6|C<3>}	C[6a](C[5]C[5]2N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,4|C<3>,4|H<1>}	112.7670	0.000	1	112.7670	0.000	1	112.7670	0.000	1	112.7670	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:3:4:	4:4:4:1:	4:3:3:	C[5,5a]-3:C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)2(C[5]C[5]CH)	C[5](C[5]C[5,5a]C[6a]2)(C[5]C[5,5a]C[6a]H)(CCHH)(H)	C[6a](C[5]C[5,5a]C[6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)2(C[5]C[5]CH){6|H<1>,7|C<3>}	C[5](C[5]C[5,5a]C[6a]2)(C[5]C[5,5a]C[6a]H)(CCHH)(H){1|N<3>,7|C<3>}	C[6a](C[5]C[5,5a]C[6a]C[5])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|H<1>,4|C<3>}	113.0420	3.874	2	113.0420	15.004	2	113.0420	15.004	2	113.0420	15.004	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:2:1:1:	4:3:3:	C[6a]-3:N[5]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(N[5]P[5,6]H)(C[5]O[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(O[5]P[5,6])(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5]P[5,6]H)(C[5]O[5]HH)(H){2|C<3>,2|H<1>,2|N<2>}	C[5](C[5]C[6a]N[5]H)(O[5]P[5,6])(H)2{1|H<1>,2|C<3>,2|N<2>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,1|P<4>,5|H<1>}	112.5898	1.100	5	112.5898	1.209	5	112.5898	1.209	5	113.9340	2.089	70	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:2:1:1:	4:3:3:	N[5,5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[6a]C[6a]2)(C[5]S[5]HH)(H)	C[5](C[5]N[5,5,6]C[6a]H)(S[5]C[3x5,6])(H)2	C[6a](C[5]N[5,5,6]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[6a]C[6a]2)(C[5]S[5]HH)(H){1|O<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]N[5,5,6]C[6a]H)(S[5]C[3x5,6])(H)2{1|C<4>,1|S<2>,3|C<3>}	C[6a](C[5]N[5,5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|S<2>,2|C<3>,4|H<1>}	113.1500	0.000	1	113.1500	0.000	1	113.1500	0.000	1	113.9340	2.089	70	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:2:1:1:	4:3:3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5,5]C[5,5]2)(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[5](C[5]N[5,5]C[6a]H)(O[5]C[5,5])(H)2	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,5]C[5,5]2)(C[6a]C[6a]2)(C[5]O[5]HH)(H){2|C<3>,3|H<1>,4|C<4>}	C[5](C[5]N[5,5]C[6a]H)(O[5]C[5,5])(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	113.3705	0.163	2	113.3705	0.027	2	114.9259	2.785	12	113.9340	2.089	70	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:2:1:1:	4:3:3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2: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)(C[5]O[5]HH)(H)	C[5](C[5]N[5,5]C[6a]H)(O[5]C[5,5])(H)2	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]N[5,5]C[6a]H)(O[5]C[5,5])(H)2{1|C<4>,4|C<3>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	113.5200	0.000	1	115.2370	2.756	10	114.9259	2.785	12	113.9340	2.089	70	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:2:1:1:	4:3:3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2: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)(C[5]O[5]HH)(H)	C[5](C[5]N[5,5]C[6a]H)(O[5]C[5,5])(H)2	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|N<3>,3|C<3>,3|H<1>}	C[5](C[5]N[5,5]C[6a]H)(O[5]C[5,5])(H)2{4|C<3>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,4|H<1>}	118.8460	0.000	1	115.2370	2.756	10	114.9259	2.785	12	113.9340	2.089	70	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:2:1:1:	4:3:3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2: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)(C[5]O[5]HH)(H)	C[5](C[5]N[5,5]C[6a]H)(O[5]C[5,5])(H)2	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]N[5,5]C[6a]H)(O[5]C[5,5])(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	113.0260	0.000	1	115.2370	2.756	10	114.9259	2.785	12	113.9340	2.089	70	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:2:1:1:	4:3:3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2: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)(C[5]O[5]HH)(H)	C[5](C[5]N[5,5]C[6a]H)(O[5]C[5,5])(H)2	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5]N[5,5]C[6a]H)(O[5]C[5,5])(H)2{2|C<4>,3|C<3>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	115.7420	0.000	1	115.2370	2.756	10	114.9259	2.785	12	113.9340	2.089	70	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:2:1:1:	4:3:3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2: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)(C[5]O[5]HH)(H)	C[5](C[5]N[5,5]C[6a]H)(O[5]C[5,5])(H)2	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]N[5,5]C[6a]H)(O[5]C[5,5])(H)2{1|C<4>,4|C<3>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	115.2060	0.858	6	115.2370	2.756	10	114.9259	2.785	12	113.9340	2.089	70	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:2:1:1:	4:3:3:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5,6]C[5,6,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6,6])(H)2	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,6]C[5,6,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6,6])(H)2{2|C<4>,3|C<3>}	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	113.1293	0.508	3	113.1293	0.258	3	113.8334	2.092	30	113.9340	2.089	70	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:2:1:1:	4:3:3:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:H-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]O[5]HH)(H)	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6])(H)2	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6])(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	112.8537	1.222	9	112.9816	1.098	13	113.8334	2.092	30	113.9340	2.089	70	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:2:1:1:	4:3:3:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:H-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]O[5]HH)(H)	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6])(H)2	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6])(H)2{2|C<4>,3|C<3>}	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	112.8480	0.000	1	112.9816	1.098	13	113.8334	2.092	30	113.9340	2.089	70	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:2:1:1:	4:3:3:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:H-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]O[5]HH)(H)	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6])(H)2	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6])(H)2{1|C<4>,4|C<3>}	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	113.6355	0.460	2	112.9816	1.098	13	113.8334	2.092	30	113.9340	2.089	70	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:2:1:1:	4:3:3:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:H-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]O[5]HH)(H)	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6])(H)2	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|S<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6])(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	112.9590	0.000	1	112.9816	1.098	13	113.8334	2.092	30	113.9340	2.089	70	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:2:1:1:	4:3:3:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5,6]C[5,6]Ge[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6])(H)2	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,6]C[5,6]Ge[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|Cl<1>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6])(H)2{1|Ge<3>,3|C<3>}	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2{1|Ge<3>,1|O<2>,2|C<3>,4|H<1>}	112.9630	0.253	2	114.7751	1.818	14	113.8334	2.092	30	113.9340	2.089	70	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:2:1:1:	4:3:3:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5,6]C[5,6]Ge[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6])(H)2	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,6]C[5,6]Ge[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|N<3>,1|O<3>,2|H<1>,3|C<3>}	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6])(H)2{1|Ge<3>,3|C<3>}	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2{1|Ge<3>,1|O<2>,2|C<3>,4|H<1>}	113.6560	1.875	2	114.7751	1.818	14	113.8334	2.092	30	113.9340	2.089	70	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:2:1:1:	4:3:3:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5,6]C[5,6]Ge[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6])(H)2	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,6]C[5,6]Ge[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]N[5,6]C[6a]H)(O[5]C[5,6])(H)2{1|Ge<2>,3|C<3>}	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2{1|Ge<2>,1|O<2>,2|C<3>,4|H<1>}	115.3614	0.916	10	114.7751	1.818	14	113.8334	2.092	30	113.9340	2.089	70	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:2:1:1:	4:3:3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5]C[3,5]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[3,5]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|C<4>,1|O<1>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	115.0193	0.183	3	115.0193	0.033	3	113.8712	1.244	22	113.9340	2.089	70	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:2:1:1:	4:3:3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5]C[3,6]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[3,6]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|C<4>,1|O<1>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	114.1950	0.000	2	114.1950	0.000	2	113.8712	1.244	22	113.9340	2.089	70	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:2:1:1:	4:3:3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5]C[3]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[3]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|C<4>,1|O<1>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	114.5662	0.637	5	114.1652	1.290	6	113.8712	1.244	22	113.9340	2.089	70	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:2:1:1:	4:3:3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5]C[3]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[3]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|C<4>,1|O<1>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	112.1600	0.000	1	114.1652	1.290	6	113.8712	1.244	22	113.9340	2.089	70	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:2:1:1:	4:3:3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5]C[4]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[4]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|C<4>,1|O<1>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	114.4790	0.000	1	114.4790	0.000	1	113.8712	1.244	22	113.9340	2.089	70	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:2:1:1:	4:3:3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5]C[5,5,6]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[5,5,6]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|C<4>,1|O<1>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	112.8940	0.000	1	112.8940	0.000	1	113.8712	1.244	22	113.9340	2.089	70	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:2:1:1:	4:3:3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|C<4>,1|O<1>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	113.3560	0.000	1	113.0541	1.452	7	113.8712	1.244	22	113.9340	2.089	70	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:2:1:1:	4:3:3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|O<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,4|H<1>}	112.8140	0.000	1	113.0541	1.452	7	113.8712	1.244	22	113.9340	2.089	70	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:2:1:1:	4:3:3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|C<4>,1|O<1>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	112.4838	0.882	4	113.0541	1.452	7	113.8712	1.244	22	113.9340	2.089	70	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:2:1:1:	4:3:3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|O<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,4|H<1>}	115.2740	0.000	1	113.0541	1.452	7	113.8712	1.244	22	113.9340	2.089	70	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:2:1:1:	4:3:3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5]C[5a]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[5a]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|O<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,4|H<1>}	114.3040	0.000	1	114.3040	0.000	1	113.8712	1.244	22	113.9340	2.089	70	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:2:1:1:	4:3:3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2: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)(C[5]O[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|O<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,4|H<1>}	113.6720	0.000	1	113.6720	0.000	1	113.8712	1.244	22	113.9340	2.089	70	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:2:2:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2: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]O[5]HO)(H)	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(OC)(H)	C[6a](C[5]C[5,6a]C[5]H)(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]HO)(H){2|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(OC)(H){4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{2|O<2>,3|C<3>,3|H<1>}	113.0230	0.000	1	113.0230	0.000	1	113.0230	0.000	1	113.0230	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:2:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:N-3:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]O[5]HN)(H)	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(NOO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]O[5]HN)(H){1|O<1>,2|O<2>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(NOO)(H){4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]O){1|N<3>,1|O<2>,3|H<1>,5|C<3>}	115.4800	0.000	1	115.4800	0.000	1	115.4800	0.000	1	113.6890	6.415	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:2:3:1:	3:4:3:	C[6a]-3:C[5,6]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5]O[5]CH)(H)	C[5](C[5]C[5,6]C[6a]H)(O[5]C[5,6])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6]C[5]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5]O[5]CH)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5](C[5]C[5,6]C[6a]H)(O[5]C[5,6])(CC[6a]O)(H){1|C<4>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6]C[5]H)(C[6a]C[6a]H){1|O<2>,3|H<1>,6|C<3>}	111.8980	0.000	1	111.8980	0.000	1	111.8980	0.000	1	113.6890	6.415	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:2:3:1:	4:3:3:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:S[5]-2:N-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]S[5]HN)(H)	C[5](C[5]C[5,5a]C[6a]H)(S[5]C[5,5a])(NCN)(H)	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]S[5]HN)(H){1|N<3>,2|H<1>,4|C<3>}	C[5](C[5]C[5,5a]C[6a]H)(S[5]C[5,5a])(NCN)(H){1|N<3>,3|C<3>}	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2{1|N<3>,1|S<2>,3|C<3>,3|H<1>}	111.2930	0.000	1	111.2930	0.000	1	111.2930	0.000	1	112.9906	1.423	35	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:2:3:1:	4:3:3:	C[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:C-3:H-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]CH)(H)	C[5](C[5]C[5,6]C[6a]H)(O[5]C[5,6])(CC[6a]O)(H)	C[6a](C[5]C[5,6]C[5]H)(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]CH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]C[6a]H)(O[5]C[5,6])(CC[6a]O)(H){1|C<4>,3|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|O<2>,3|H<1>,4|C<3>}	113.2343	0.367	3	113.2343	0.134	3	113.2343	0.134	3	112.9906	1.423	35	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:2:3:1:	4:3:3:	C[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:N-3:H-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]HN)(H)	C[5](C[5]C[5,6]C[6a]H)(O[5]C[5,6])(NOO)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HN)(H){1|Br<1>,1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6]C[6a]H)(O[5]C[5,6])(NOO)(H){1|C<4>,3|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	111.5080	0.000	1	111.5080	0.000	1	112.3415	0.370	4	112.9906	1.423	35	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:2:3:1:	4:3:3:	C[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:N-3:H-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]HN)(H)	C[5](C[5]C[5,6]C[6a]H)(O[5]C[5,6])(NOO)(H)	C[6a](C[5]C[5,6]C[5]H)(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]HN)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]C[6a]H)(O[5]C[5,6])(NOO)(H){1|C<4>,3|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|Br<1>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	112.4140	0.000	1	112.6193	0.092	3	112.3415	0.370	4	112.9906	1.423	35	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:2:3:1:	4:3:3:	C[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:N-3:H-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]HN)(H)	C[5](C[5]C[5,6]C[6a]H)(O[5]C[5,6])(NOO)(H)	C[6a](C[5]C[5,6]C[5]H)(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]HN)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]C[6a]H)(O[5]C[5,6])(NOO)(H){1|C<4>,3|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,3|C<3>,3|H<1>}	112.7220	0.346	2	112.6193	0.092	3	112.3415	0.370	4	112.9906	1.423	35	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:2:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2: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]CH)(H)	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(CC[6a]O)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(CC[6a]O)(H){4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	113.8050	0.000	1	113.8050	0.000	1	114.0120	0.658	10	112.9906	1.423	35	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:2:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2: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]CH)(H)	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(CC[6a]O)(H)	C[6a](C[5]C[5,6a]C[5]H)(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]CH)(H){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(CC[6a]O)(H){1|N<2>,3|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|O<2>,3|H<1>,4|C<3>}	113.6490	0.000	1	114.1256	0.357	7	114.0120	0.658	10	112.9906	1.423	35	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:2:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2: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]CH)(H)	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(CC[6a]O)(H)	C[6a](C[5]C[5,6a]C[5]H)(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]CH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(CC[6a]O)(H){4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|O<2>,3|H<1>,4|C<3>}	114.5938	0.132	4	114.1256	0.357	7	114.0120	0.658	10	112.9906	1.423	35	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:2:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2: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]CH)(H)	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(CC[6a]O)(H)	C[6a](C[5]C[5,6a]C[5]H)(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]CH)(H){3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(CC[6a]O)(H){4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|H<1>,1|O<2>,2|C<4>,4|C<3>}	113.5080	0.000	1	114.1256	0.357	7	114.0120	0.658	10	112.9906	1.423	35	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:2:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2: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]CH)(H)	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(CC[6a]O)(H)	C[6a](C[5]C[5,6a]C[5]H)(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]CH)(H){3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(CC[6a]O)(H){4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|O<2>,3|H<1>,4|C<3>}	113.3470	0.000	1	114.1256	0.357	7	114.0120	0.658	10	112.9906	1.423	35	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:2:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(CC[6a]O)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H){2|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(CC[6a]O)(H){4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|H<1>,3|O<2>,4|C<3>}	113.7180	1.864	2	113.7180	3.474	2	114.0120	0.658	10	112.9906	1.423	35	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:2:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2: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]O[5]HN)(H)	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(NOO)(H)	C[6a](C[5]C[5,6a]C[5]H)(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]O[5]HN)(H){1|Br<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(NOO)(H){4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	111.3930	0.000	1	111.3930	0.000	1	112.4536	1.264	14	112.9906	1.423	35	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:2:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2: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]O[5]HN)(H)	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(NOO)(H)	C[6a](C[5]C[5,6a]C[5]H)(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]HN)(H){3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(NOO)(H){4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,3|C<3>,3|H<1>}	111.3760	0.000	1	111.3760	0.000	1	112.4536	1.264	14	112.9906	1.423	35	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:2:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:N-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]O[5]HN)(H)	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(NCN)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]O[5]HN)(H){2|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(NCN)(H){4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,3|C<3>,3|H<1>}	109.7710	0.000	1	109.7710	0.000	1	112.4536	1.264	14	112.9906	1.423	35	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:2:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:N-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]O[5]HN)(H)	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(NOO)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]O[5]HN)(H){1|Br<1>,1|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(NOO)(H){4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	112.8950	0.443	3	112.8950	0.196	3	112.4536	1.264	14	112.9906	1.423	35	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:2:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:N-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]O[5]HN)(H)	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(NOO)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]O[5]HN)(H){2|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(NOO)(H){4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,3|C<3>,3|H<1>}	112.8907	0.797	8	112.8907	0.635	8	112.4536	1.264	14	112.9906	1.423	35	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:2:3:1:	4:3:3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-2:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5]C[5]P[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5])(COO)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[5]P[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|O<1>,2|C<3>,2|N<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(N[5]C[5])(COO)(H){1|H<1>,1|P<4>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,1|P<4>,3|C<3>,3|H<1>}	115.0910	0.000	1	115.0910	0.000	1	115.0910	0.000	1	112.9906	1.423	35	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:2:3:1:	4:3:3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(COO)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]CH)(H){3|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(COO)(H){1|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	112.7270	0.000	1	112.7270	0.000	1	112.7270	0.000	1	112.9906	1.423	35	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:2:3:1:	4:3:3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:S[5]-2:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]CH)(H)	C[5](C[5]C[6a]N[5]H)(S[5]C[5])(COO)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]CH)(H){2|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(S[5]C[5])(COO)(H){4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|S<2>,3|H<1>,4|C<3>}	112.0210	0.000	1	112.0210	0.000	1	112.0210	0.000	1	112.9906	1.423	35	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:2:3:2:	4:3:3:	C[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:C-3:C-2:	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]CC)(H)	C[5](C[5]C[5,6]C[6a]H)(O[5]C[5,6])(CNO)(CN)	C[6a](C[5]C[5,6]C[5]H)(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]CC)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]C[6a]H)(O[5]C[5,6])(CNO)(CN){1|C<4>,3|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<2>,1|O<2>,2|H<1>,4|C<3>}	115.3010	0.000	1	115.3010	0.000	1	115.3010	0.000	1	114.8800	0.354	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:2:3:2:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:C-3:C-2:	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]CC)(H)	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(CNO)(CN)	C[6a](C[5]C[5,6a]C[5]H)(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]CC)(H){3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(CNO)(CN){4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<2>,1|O<2>,2|H<1>,4|C<3>}	114.4590	0.000	1	114.4590	0.000	1	114.4590	0.000	1	114.8800	0.354	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:2:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:C-3: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]O[5]CC)(H)	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(CNO)2	C[6a](C[5]C[5,6a]C[5]H)(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]CC)(H){3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(CNO)2{4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,5|C<3>}	114.6350	0.000	1	114.6350	0.000	1	114.6350	0.000	1	114.6350	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:2:3:4:	3:3:4:	C[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:C-3:C-4:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]O[5]CC)(H)	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(CC[5]O)(CCHH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]O[5]CC)(H){2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(CC[5]O)(CCHH){3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	117.0340	0.776	2	117.0340	0.603	2	117.0340	0.603	2	117.0340	0.603	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:2:4:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2: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]O[5]CH)(H)	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(CCCH)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]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]CH)(H){1|C<2>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(CCCH)(H){4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<2>,2|H<1>,3|C<3>}	113.1040	0.000	1	113.1040	0.000	1	113.1040	0.000	1	113.1040	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:3:1:1:	3:3:4:	C[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3: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]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2{1|C<4>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H){3|H<1>,5|C<3>}	111.9980	0.000	1	111.9980	0.000	1	111.9980	0.000	1	112.9123	6.800	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:3:1:1:	3:3:4:	C[6a]-3:N[5]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C[5]-4:	C[5](C[6a]C[6a,6a]2)(N[5]C[6a]N[5])(C[5]C[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]C[5]N[5]H)	C[5](C[6a]C[6a,6a]2)(N[5]C[6a]N[5])(C[5]C[5]HH)(H){7|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2{5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]C[5]N[5]H){1|N<2>,4|H<1>,7|C<3>}	115.8540	0.000	1	115.8540	0.000	1	115.8540	0.000	1	112.9123	6.800	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:3:1:1:	3:3:4:	C[6a]-3:N[5]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[6a]N[5])(C[5]C[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5]N[5]H)	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[6a]N[5])(C[5]C[5]HH)(H){1|H<1>,6|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2{5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5]N[5]H){1|N<2>,3|H<1>,6|C<3>}	110.8850	0.000	1	110.8850	0.000	1	110.8850	0.000	1	112.9123	6.800	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(H){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(H)2{4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]O){4|H<1>,6|C<3>}	116.8035	0.046	2	116.8035	0.002	2	116.8035	0.002	2	114.8587	11.348	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:3:1:1:	3:4:3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[6a]-3:	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5]H)(C[6a]N[6a]O)	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2{5|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5]H)(C[6a]N[6a]O){1|N<2>,2|H<1>,4|C<3>}	110.9690	0.000	1	110.9690	0.000	1	110.9690	0.000	1	114.8587	11.348	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:3:1:1:	4:3:3:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,5a]C[6a]H)(N[5]C[5,5a]S)(H)2	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|N<3>,1|S<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,5a]C[6a]H)(N[5]C[5,5a]S)(H)2{1|N<3>,3|C<3>}	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	114.4450	0.000	1	114.4450	0.000	1	114.4450	0.000	1	113.9972	2.619	108	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:3:1:1:	4:3:3:	C[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-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]N[5]HH)(H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]S)(H)2	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|S<4>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]S)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	113.8530	1.346	3	113.8530	1.811	3	113.8530	1.811	3	113.9972	2.619	108	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:3:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-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]HH)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(H)2	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]F)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,2|F<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(H)2{4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]F)2{1|Cl<1>,3|H<1>,4|C<3>}	114.9110	0.000	1	114.9110	0.000	1	114.4910	0.353	2	113.9972	2.619	108	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:3:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-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]HH)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(H)2	C[6a](C[5]C[5,6a]C[5]H)(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)(H){1|O<1>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(H)2{4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	114.0710	0.000	1	114.0710	0.000	1	114.4910	0.353	2	113.9972	2.619	108	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:3:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-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]HH)(H)	C[5](C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]S)(H)2	C[6a](C[5]C[5,6a]C[5]H)(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]HH)(H){1|S<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]S)(H)2{4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	115.3150	0.000	1	115.3150	0.000	1	113.4185	7.193	2	113.9972	2.619	108	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:3:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-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[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]S)(H)2	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|S<4>,2|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]S)(H)2{4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	111.5220	0.000	1	111.5220	0.000	1	113.4185	7.193	2	113.9972	2.619	108	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:3:1:1:	4:3:3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-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)(H)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]C)(H)2	C[6a](C[5]N[5,5]C[5]H)(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)(H){1|C<4>,3|H<1>,5|C<3>}	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]C)(H)2{1|C<4>,3|C<3>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	115.5810	0.537	2	115.2960	0.388	3	115.8166	4.665	9	113.9972	2.619	108	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:3:1:1:	4:3:3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-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)(H)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]C)(H)2	C[6a](C[5]N[5,5]C[5]H)(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)(H){1|C<4>,4|C<3>,4|H<1>}	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]C)(H)2{1|C<4>,3|C<3>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	114.7260	0.000	1	115.2960	0.388	3	115.8166	4.665	9	113.9972	2.619	108	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:3:1:1:	4:3:3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-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)(H)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(H)2	C[6a](C[5]N[5,5]C[5]H)(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)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(H)2{1|C<4>,3|C<3>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	117.0873	3.548	3	116.0768	7.065	6	115.8166	4.665	9	113.9972	2.619	108	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:3:1:1:	4:3:3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-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)(H)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(H)2	C[6a](C[5]N[5,5]C[5]H)(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)(H){1|O<1>,3|H<1>,5|C<3>}	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(H)2{1|C<4>,3|C<3>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	114.3595	1.009	2	116.0768	7.065	6	115.8166	4.665	9	113.9972	2.619	108	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:3:1:1:	4:3:3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-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)(H)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(H)2	C[6a](C[5]N[5,5]C[5]H)(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)(H){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(H)2{1|C<4>,3|C<3>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	116.4800	0.000	1	116.0768	7.065	6	115.8166	4.665	9	113.9972	2.619	108	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:3:1:1:	4:3:3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3: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)(C[5]N[5]HH)(H)	C[5](C[5]N[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){3|C<3>,3|C<4>,4|H<1>}	C[5](C[5]N[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	113.4500	2.568	2	113.4500	6.596	2	113.4500	6.596	2	113.9972	2.619	108	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:3:1:1:	4:3:3:	N[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]N[5,5a]C[6a]H)(C[5]C[5,5a]O)(H)2	C[6a](C[5]N[5,5a]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]N[5,5a]C[6a]H)(C[5]C[5,5a]O)(H)2{4|C<3>}	C[6a](C[5]N[5,5a]C[5]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	116.5320	0.000	1	116.5320	0.000	1	116.5320	0.000	1	113.9972	2.619	108	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:3:1:1:	4:3:3:	N[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]N[5,5a]C[6a]H)(N[5]C[5,5a]S)(H)2	C[6a](C[5]N[5,5a]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|N<2>,1|S<4>,2|H<1>,4|C<3>}	C[5](C[5]N[5,5a]C[6a]H)(N[5]C[5,5a]S)(H)2{1|N<2>,3|C<3>}	C[6a](C[5]N[5,5a]C[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	115.7140	0.000	1	115.0075	1.398	4	115.0075	1.398	4	113.9972	2.619	108	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:3:1:1:	4:3:3:	N[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]N[5,5a]C[6a]H)(N[5]C[5,5a]S)(H)2	C[6a](C[5]N[5,5a]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|S<4>,2|H<1>,5|C<3>}	C[5](C[5]N[5,5a]C[6a]H)(N[5]C[5,5a]S)(H)2{4|C<3>}	C[6a](C[5]N[5,5a]C[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	114.7720	1.328	3	115.0075	1.398	4	115.0075	1.398	4	113.9972	2.619	108	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:3:1:1:	4:3:3:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]N[5,6]C[6a]H)(C[5]N[5,6]O)(H)2	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,1|S<2>,3|C<3>,3|H<1>}	C[5](C[5]N[5,6]C[6a]H)(C[5]N[5,6]O)(H)2{2|C<3>,2|C<4>}	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	112.5560	0.000	1	112.8632	0.692	5	112.8632	0.692	5	113.9972	2.619	108	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:3:1:1:	4:3:3:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]N[5,6]C[6a]H)(C[5]N[5,6]O)(H)2	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5]N[5,6]C[6a]H)(C[5]N[5,6]O)(H)2{1|C<4>,3|C<3>}	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	113.2383	0.890	3	112.8632	0.692	5	112.8632	0.692	5	113.9972	2.619	108	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:3:1:1:	4:3:3:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]N[5,6]C[6a]H)(C[5]N[5,6]O)(H)2	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5]N[5,6]C[6a]H)(C[5]N[5,6]O)(H)2{2|C<3>,2|C<4>}	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	112.0450	0.000	1	112.8632	0.692	5	112.8632	0.692	5	113.9972	2.619	108	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:3:1:1:	4:3:3:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-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]HH)(H)	C[5](C[5]N[5,6]C[6a]H)(N[5]C[5,6]S)(H)2	C[6a](C[5]N[5,6]C[5]H)(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]HH)(H){1|C<4>,1|S<4>,3|C<3>,5|H<1>}	C[5](C[5]N[5,6]C[6a]H)(N[5]C[5,6]S)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	115.5480	0.000	1	115.5480	0.000	1	115.5480	0.000	1	113.9972	2.619	108	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:3:1:1:	4:3:3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2{5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|N<2>,4|H<1>}	112.0370	0.000	1	112.0370	0.000	1	113.4901	1.069	71	113.9972	2.619	108	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:3:1:1:	4:3:3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5]C[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]N[5])(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5](N[5]C[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]N[5])(H)2{1|Fe<10>,2|C<4>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|N<2>,1|O<2>,3|C<3>,3|H<1>}	112.0140	0.000	1	112.0140	0.000	1	113.4901	1.069	71	113.9972	2.619	108	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:3:1:1:	4:3:3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5]C[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5a]N[5])(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5a]N[5])(H)2{1|N<2>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,4|H<1>}	114.3970	1.049	2	114.0723	0.867	3	113.4901	1.069	71	113.9972	2.619	108	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:3:1:1:	4:3:3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5]C[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5a]N[5])(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5a]N[5])(H)2{1|O<2>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,4|H<1>}	113.4230	0.000	1	114.0723	0.867	3	113.4901	1.069	71	113.9972	2.619	108	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:3:1:1:	4:3:3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5]C[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2{5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,4|H<1>}	114.0194	1.208	14	114.0194	1.460	14	113.4901	1.069	71	113.9972	2.619	108	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:3:1:1:	4:3:3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-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)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|H<1>,6|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(H)2{4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	113.9290	0.000	1	113.9290	0.000	1	113.4901	1.069	71	113.9972	2.619	108	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:3:1:1:	4:3:3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-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)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]O)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]O)(H)2{1|O<2>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	110.8540	0.000	1	110.8540	0.000	1	113.4901	1.069	71	113.9972	2.619	108	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:3:1:1:	4:3:3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3: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]C[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|Cl<1>,1|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2{5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<2>,3|C<3>,4|H<1>}	112.3210	0.204	3	112.3210	0.042	3	113.4901	1.069	71	113.9972	2.619	108	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:3:1:1:	4:3:3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3: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]C[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|H<1>,2|N<2>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2{5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,4|H<1>}	113.3340	0.739	3	113.5941	0.760	36	113.4901	1.069	71	113.9972	2.619	108	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:3:1:1:	4:3:3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3: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]C[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2{1|N<2>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,4|H<1>}	112.8920	0.000	1	113.5941	0.760	36	113.4901	1.069	71	113.9972	2.619	108	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:3:1:1:	4:3:3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3: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]C[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2{5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,1|O<2>,3|C<3>,3|H<1>}	113.8782	0.444	4	113.5941	0.760	36	113.4901	1.069	71	113.9972	2.619	108	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:3:1:1:	4:3:3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3: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]C[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2{5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,4|H<1>}	113.6065	0.940	28	113.5941	0.760	36	113.4901	1.069	71	113.9972	2.619	108	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:3:1:1:	4:3:3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3: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]C[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]N[5]C)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|H<1>,2|N<2>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]N[5]C)(H)2{3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,3|C<3>,4|H<1>}	112.9980	0.000	1	112.9980	0.000	1	113.4901	1.069	71	113.9972	2.619	108	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:3:1:1:	4:3:3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3: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]C[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]N[5]C)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]N[5]C)(H)2{3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,4|H<1>}	112.6910	1.129	2	112.6910	1.274	2	113.4901	1.069	71	113.9972	2.619	108	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:3:1:1:	4:3:3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3: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]C[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]N[5]H)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]N[5]H)(H)2{3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,4|H<1>}	112.6750	0.000	1	112.6750	0.000	1	113.4901	1.069	71	113.9972	2.619	108	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:3:1:1:	4:3:3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3: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]C[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]N[5]O)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]N[5]O)(H)2{1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|F<1>,1|N<3>,3|C<3>,3|H<1>}	113.5330	0.000	1	113.2959	0.478	7	113.4901	1.069	71	113.9972	2.619	108	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:3:1:1:	4:3:3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3: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]C[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]N[5]O)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]N[5]O)(H)2{1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,3|C<3>,3|H<1>}	112.9645	1.372	2	113.2959	0.478	7	113.4901	1.069	71	113.9972	2.619	108	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:3:1:1:	4:3:3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3: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]C[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]N[5]O)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]N[5]O)(H)2{1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	113.4023	0.469	4	113.2959	0.478	7	113.4901	1.069	71	113.9972	2.619	108	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:3:1:1:	4:3:3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-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)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(H)2{4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	117.8650	0.000	1	117.8650	0.000	1	116.6280	4.258	7	113.9972	2.619	108	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:3:1:1:	4:3:3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-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)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]S)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|S<4>,3|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[5]S)(H)2{1|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	112.5620	0.000	1	112.5620	0.000	1	116.6280	4.258	7	113.9972	2.619	108	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:3:1:1:	4:3:3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-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)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){3|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(H)2{1|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	117.1938	1.213	5	117.1938	1.472	5	116.6280	4.258	7	113.9972	2.619	108	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:3:2:1:	4:3:3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:O-2: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]HO)(H)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(OC)(H)	C[6a](C[5]N[5,5]C[5]H)(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]HO)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(OC)(H){1|C<4>,3|C<3>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	116.7790	0.000	1	116.7790	0.000	1	116.7790	0.000	1	116.7790	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:3:3:1:	3:3:4:	C[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-3: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)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(COO)(H)	C[6a](C[6a]C[6a]O)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|O<2>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(COO)(H){1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]O)2(C[5]C[5]2H){3|H<1>,5|C<3>}	115.8370	0.000	1	115.8370	0.000	1	115.8370	0.000	1	114.9993	0.613	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:3:3:1:	3:3:4:	C[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(CCH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H){2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(CCH)(H){5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	114.5805	0.416	2	114.5805	0.173	2	114.5805	0.173	2	114.9993	0.613	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:3:3:1:	4:3:2:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:N[6a]-2:	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(C[5]C[6a]C[5]H)(H)	C[5](C[5]N[5,6]C[6a]H)(C[6a]C[6a]N[6a])(C[5]C[5,6]N)(H)	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(C[5]C[6a]C[5]H)(H){1|N<2>,1|N<3>,2|H<1>,5|C<3>}	C[5](C[5]N[5,6]C[6a]H)(C[6a]C[6a]N[6a])(C[5]C[5,6]N)(H){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,5|C<3>}	112.3180	0.000	1	112.3180	0.000	1	112.3180	0.000	1	112.3180	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:3:3:1:	4:3:3:	C[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-3:H-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]C[5]CH)(H)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(COO)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]O)2	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,3|O<2>}	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(COO)(H){1|C<4>,1|O<2>,2|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]O)2{1|C<4>,3|H<1>,4|C<3>}	114.4773	0.650	3	114.4773	0.422	3	114.4773	0.422	3	114.3601	2.827	9	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-3: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]CF)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(COO)(F)	C[6a](C[5]C[5,6a]C[5]H)(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]CF)(H){1|O<1>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(COO)(F){4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|F<1>,2|H<1>,5|C<3>}	115.9300	0.000	1	115.9300	0.000	1	115.9300	0.000	1	114.3601	2.827	9	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-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]CH)(H)	C[5](C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]S)(CC[6a]O)(H)	C[6a](C[5]C[5,6a]C[5]H)(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]CH)(H){1|S<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]S)(CC[6a]O)(H){4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,2|C<4>,4|C<3>}	112.1030	0.341	2	112.1030	0.116	2	112.1030	0.116	2	114.3601	2.827	9	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:3:3:1:	4:3:3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:N-3: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]HN)(H)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(NCH)(H)	C[6a](C[5]N[5,5]C[5]H)(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]HN)(H){1|N<2>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(NCH)(H){1|C<4>,3|C<3>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|N<3>,3|H<1>}	115.5260	0.000	1	116.2070	0.928	2	116.2070	0.928	2	114.3601	2.827	9	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:3:3:1:	4:3:3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:N-3: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]HN)(H)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(NCH)(H)	C[6a](C[5]N[5,5]C[5]H)(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]HN)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(NCH)(H){1|C<4>,3|C<3>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|N<3>,3|H<1>}	116.8880	0.000	1	116.2070	0.928	2	116.2070	0.928	2	114.3601	2.827	9	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:3:3:1:	4:3:3:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-3: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]C[5]CH)(H)	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]H)(COO)(H)	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,6]C[5,6]S[6])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<2>,2|O<1>,3|C<3>,3|H<1>}	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]H)(COO)(H){1|S<4>,3|C<3>}	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2{1|S<4>,3|H<1>,4|C<3>}	113.2590	0.000	1	113.2590	0.000	1	113.2590	0.000	1	114.3601	2.827	9	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:3:3:2:	4:3:3:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CO)(H)	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]O)(COO)(OH)	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CO)(H){1|O<1>,1|S<2>,3|C<3>,3|H<1>}	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]O)(COO)(OH){1|S<2>,3|C<3>}	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,5|C<3>}	114.6620	0.000	1	114.6620	0.000	1	114.6620	0.000	1	113.7315	0.605	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:3:3:2:	4:3:3:	C[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:C-2:	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]N[5]CC)(H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]H)(COO)(CN)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]CC)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]H)(COO)(CN){1|C<4>,3|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<2>,1|N<3>,2|H<1>,4|C<3>}	113.1450	0.451	2	113.1450	0.204	2	113.1450	0.204	2	113.7315	0.605	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:3:3:2:	4:3:3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-3:C-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]C[5])(COO)(CN)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)(H){2|H<1>,6|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]C[5])(COO)(CN){6|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,5|C<3>}	113.9740	0.000	1	113.9740	0.000	1	113.9740	0.000	1	113.7315	0.605	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:3:3:3:	4:3:3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(C[5]N[5]CC)(H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5,5]H)(COO)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(C[5]N[5]CC)(H){3|H<1>,6|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[5,5]H)(COO)2{5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	116.0455	1.114	2	116.0455	1.240	2	116.0455	1.240	2	116.0455	1.240	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:3:3:4:	3:3:4:	C[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:C-4:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]N[5]CC)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]N[5]CC)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(CC[6a]O)(CCHH){5|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	116.6420	2.615	2	116.6420	6.838	2	116.9859	1.644	7	116.9859	1.644	7	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:3:3:4:	3:3:4:	C[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:C-4:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]N[5]CC)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]N[5]CC)(H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(CC[6a]O)(CCHH){5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	117.1234	0.821	5	117.1234	0.674	5	116.9859	1.644	7	116.9859	1.644	7	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:3:4:1:	4:3:3:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[5,5a]C[6a]H)(C[5]N[5,5a]O)(CN[5]HH)(H)	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<1>,3|H<1>,4|C<3>}	C[5](C[5]C[5,5a]C[6a]H)(C[5]N[5,5a]O)(CN[5]HH)(H){4|C<3>}	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	116.2310	0.000	1	116.2310	0.000	1	116.2310	0.000	1	114.2625	1.907	19	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:3:4:1:	4:3:3:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:P-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]HP)(H)	C[5](C[5]C[5,5a]C[6a]H)(C[5]N[5,5a]O)(PC[6a]2O)(H)	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]HP)(H){1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[5,5a]C[6a]H)(C[5]N[5,5a]O)(PC[6a]2O)(H){4|C<3>}	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2{1|N<3>,1|P<4>,3|C<3>,3|H<1>}	112.8970	0.000	1	112.8970	0.000	1	112.8970	0.000	1	114.2625	1.907	19	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:3:4:1:	4:3:3:	C[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:H-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]C[5]CH)(H)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CH3)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CH3)(H){1|C<4>,1|O<2>,2|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	114.5880	0.424	2	114.5880	0.180	2	114.5880	0.180	2	114.2625	1.907	19	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:3:4:1:	4:3:3:	C[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C-4:H-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]N[5]CH)(H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]S)(CF3)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]S)(CF3)(H){1|C<4>,3|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	113.3720	0.000	1	113.3720	0.000	1	113.3720	0.000	1	114.2625	1.907	19	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:3:4:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-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)(C[5]C[5]CH)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(CH3)(H)	C[6a](C[5]C[5,6a]C[5]H)(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]CH)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(CH3)(H){4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	113.4620	0.000	1	113.4620	0.000	1	113.4620	0.000	1	114.2625	1.907	19	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:3:4:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C[5]-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]C[5]2H)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[5]C[5]2H)(H)	C[6a](C[5]C[5,6a]C[5]H)(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]2H)(H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[5]C[5]2H)(H){1|O<2>,2|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	114.4660	2.369	2	114.4660	5.611	2	114.4660	5.611	2	114.2625	1.907	19	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:3:4:1:	4:3:3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-4: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]CH)(H)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(CC[6a]HH)(H)	C[6a](C[5]N[5,5]C[5]H)(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]CH)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(CC[6a]HH)(H){1|C<4>,3|C<3>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	114.5730	0.000	1	114.5730	0.000	1	114.8965	0.209	2	114.2625	1.907	19	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:3:4:1:	4:3:3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-4: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]CH)(H)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(CH3)(H)	C[6a](C[5]N[5,5]C[5]H)(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]CH)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(CH3)(H){1|C<4>,3|C<3>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	115.2200	0.000	1	115.2200	0.000	1	114.8965	0.209	2	114.2625	1.907	19	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:3:4:1:	4:3:3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-4: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]C[5]CH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(CH3)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){2|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(CH3)(H){5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,3|C<3>,3|H<1>}	113.4250	0.000	1	113.4250	0.000	1	113.4250	0.000	1	114.2625	1.907	19	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:3:4:1:	4:3:3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(CH3)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(CH3)(H){1|C<4>,1|O<1>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	115.0920	0.000	1	114.3263	0.455	3	114.2125	2.761	8	114.2625	1.907	19	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:3:4:1:	4:3:3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(CH3)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(CH3)(H){1|C<4>,1|O<1>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	113.9435	0.175	2	114.3263	0.455	3	114.2125	2.761	8	114.2625	1.907	19	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:3:4:1:	4:3:3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(CH3)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(CH3)(H){1|O<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	115.3960	0.000	1	115.3960	0.000	1	114.2125	2.761	8	114.2625	1.907	19	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:3:4:1:	4:3:3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]H)(CC[6a]HH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|O<1>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[5]H)(CC[6a]HH)(H){1|O<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	115.7985	0.392	2	115.7985	0.154	2	114.2125	2.761	8	114.2625	1.907	19	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:3:4:1:	4:3:3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]S)(CCHH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|O<1>,1|S<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[5]S)(CCHH)(H){1|O<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	111.8640	0.873	2	111.8640	0.761	2	114.2125	2.761	8	114.2625	1.907	19	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:3:4:3:	4:3:3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:N-3:	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]CN)(H)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(CC[6a]HH)(NCH)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CN)(H){1|Br<1>,1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(CC[6a]HH)(NCH){1|C<4>,3|C<3>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>,2|N<3>}	117.5420	0.000	1	117.5420	0.000	1	117.5420	0.000	1	117.5420	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:3:4:4:	3:3:4:	C[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:C-4:	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]CC)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|O<1>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)2{1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<4>,2|H<1>,4|C<3>}	115.4950	0.000	1	115.4950	0.000	1	115.4950	0.000	1	115.4950	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:3:4:4:	4:3:3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]CC)(H)	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(CH3)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]CC)(H){3|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(CH3)2{1|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	119.7430	0.000	1	119.7430	0.000	1	119.7430	0.000	1	119.7430	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:1:1:	3:3:4:	C[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-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]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(H)2{1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,3|C<3>,4|H<1>}	112.9770	0.000	1	112.9770	0.000	1	112.9770	0.000	1	112.9770	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:1:1:	3:4:3:	N[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(H)	C[5](C[5]N[5,5a]C[6a]H)(C[5]C[5,5a]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]N[5,5a]C[5]H)(C[6a]C[6a]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(H){3|H<1>,6|C<3>}	C[5](C[5]N[5,5a]C[6a]H)(C[5]C[5,5a]HH)(H)2{4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]N[5,5a]C[5]H)(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	113.1970	0.000	1	113.1970	0.000	1	113.1970	0.000	1	113.8727	3.159	11	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:1:1:	3:4:3:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5](N[5,6]C[6,6a]O[5,6])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6]HH)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]C[6a]H)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]N[5,6]C[5]H)(C[6a]C[6a]H)	C[5](N[5,6]C[6,6a]O[5,6])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6]HH)(H){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]C[6a]H)(H)2{2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]N[5,6]C[5]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	113.9403	1.859	10	113.9403	3.454	10	113.9403	3.454	10	113.8727	3.159	11	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:1:1:	4:3:3:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]HH)(H)2	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<2>,4|C<3>,4|H<1>}	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]HH)(H)2{1|N<3>,3|C<3>}	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	113.2480	0.000	1	113.2480	0.000	1	113.2480	0.000	1	113.8095	3.478	86	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:1:1:	4:3:3:	C[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]N[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]N[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H){4|C<3>,5|H<1>}	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2{1|N<3>,3|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	113.9580	0.000	1	113.9580	0.000	1	113.9580	0.000	1	113.8095	3.478	86	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	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]C[5]HH)(H)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C[6a]H)(H)2	C[6a](C[5]C[5,6a]C[5]H)(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)(H){1|C<4>,3|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C[6a]H)(H)2{6|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	114.3580	0.000	1	114.1749	3.274	23	114.3485	2.717	31	113.8095	3.478	86	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	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]C[5]HH)(H)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C[6a]H)(H)2	C[6a](C[5]C[5,6a]C[5]H)(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)(H){1|C<4>,3|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C[6a]H)(H)2{6|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	114.5464	1.539	18	114.1749	3.274	23	114.3485	2.717	31	113.8095	3.478	86	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	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]C[5]HH)(H)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C[6a]H)(H)2	C[6a](C[5]C[5,6a]C[5]H)(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)(H){1|C<4>,3|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C[6a]H)(H)2{6|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,3|C<3>,3|H<1>}	114.2030	2.048	2	114.1749	3.274	23	114.3485	2.717	31	113.8095	3.478	86	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	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]C[5]HH)(H)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C[6a]H)(H)2	C[6a](C[5]C[5,6a]C[5]H)(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)(H){2|C<4>,2|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C[6a]H)(H)2{6|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	110.7120	1.037	2	114.1749	3.274	23	114.3485	2.717	31	113.8095	3.478	86	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	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]C[5]HH)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]B[5]H)(H)2	C[6a](C[5]C[5,6a]C[5]H)(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)(H){1|B<3>,4|C<3>,4|H<1>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]B[5]H)(H)2{2|O<2>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	116.0170	0.574	2	116.0170	0.330	2	114.3485	2.717	31	113.8095	3.478	86	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	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]C[5]HH)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(H)2	C[6a](C[5]C[5,6a]C[5]H)(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)(H){2|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(H)2{4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	114.0920	0.000	1	114.0920	0.000	1	114.3485	2.717	31	113.8095	3.478	86	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	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]C[5]HH)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)(H)2	C[6a](C[5]C[5,6a]C[5]H)(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)(H){4|C<3>,5|H<1>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)(H)2{4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	114.5312	0.816	5	114.5312	0.665	5	114.3485	2.717	31	113.8095	3.478	86	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:1:1:	4:3:3:	C[6a]-3:N[5]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5,5]CH)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(C[5]C[5]HH)(H){3|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5,5]CH)(H)2{1|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,5|H<1>}	111.7240	0.000	1	111.7240	0.000	1	111.7240	0.000	1	113.8095	3.478	86	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:1:1:	4:3:3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4: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)(C[5]C[5]HH)(H)	C[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH)(H)2	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]C)2	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|Ir<6>,1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH)(H)2{4|C<3>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]C)2{1|C<4>,3|C<3>,4|H<1>}	114.8760	0.000	1	114.8760	0.000	1	114.2623	3.159	13	113.8095	3.478	86	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:1:1:	4:3:3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4: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)(C[5]C[5]HH)(H)	C[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH)(H)2	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|Ir<6>,1|N<3>,3|C<3>,4|H<1>}	C[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH)(H)2{4|C<3>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	114.8100	0.000	1	115.1342	3.209	5	114.2623	3.159	13	113.8095	3.478	86	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:1:1:	4:3:3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4: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)(C[5]C[5]HH)(H)	C[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH)(H)2	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|Ni<4>,1|N<3>,3|C<3>,4|H<1>}	C[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH)(H)2{4|C<3>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	115.2420	2.704	2	115.1342	3.209	5	114.2623	3.159	13	113.8095	3.478	86	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:1:1:	4:3:3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4: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)(C[5]C[5]HH)(H)	C[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH)(H)2	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH)(H)2{1|C<4>,4|C<3>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	115.1885	2.321	2	115.1342	3.209	5	114.2623	3.159	13	113.8095	3.478	86	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:1:1:	4:3:3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]CH)(H)2	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|S<2>,3|H<1>,6|C<3>}	C[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]CH)(H)2{1|S<2>,4|C<3>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	112.8268	1.158	4	112.8268	1.342	4	114.2623	3.159	13	113.8095	3.478	86	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:1:1:	4:3:3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4: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)(H)	C[5](C[5]N[5,5]C[6a]C)(C[5]N[5,5]C[6a]H)(H)2	C[6a](C[5]N[5,5]C[5]H)(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)(H){2|C<4>,4|C<3>,4|H<1>}	C[5](C[5]N[5,5]C[6a]C)(C[5]N[5,5]C[6a]H)(H)2{1|C<4>,5|C<3>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,1|N<3>,2|C<4>,3|H<1>}	113.6110	0.000	1	115.2400	5.307	2	114.2623	3.159	13	113.8095	3.478	86	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:1:1:	4:3:3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4: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)(H)	C[5](C[5]N[5,5]C[6a]C)(C[5]N[5,5]C[6a]H)(H)2	C[6a](C[5]N[5,5]C[5]H)(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)(H){3|C<4>,3|H<1>,4|C<3>}	C[5](C[5]N[5,5]C[6a]C)(C[5]N[5,5]C[6a]H)(H)2{1|C<4>,5|C<3>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	116.8690	0.000	1	115.2400	5.307	2	114.2623	3.159	13	113.8095	3.478	86	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:1:1:	4:3:3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4: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)(H)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]CC)(H)2	C[6a](C[5]N[5,5]C[5]H)(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)(H){3|C<3>,3|C<4>,4|H<1>}	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]CC)(H)2{1|C<4>,3|C<3>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	113.0760	0.000	1	113.0760	0.000	1	114.2623	3.159	13	113.8095	3.478	86	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:1:1:	4:3:3:	N[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]N[5,5a]C[6a]H)(C[5]C[5,5a]HH)(H)2	C[6a](C[5]N[5,5a]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){4|H<1>,5|C<3>}	C[5](C[5]N[5,5a]C[6a]H)(C[5]C[5,5a]HH)(H)2{4|C<3>}	C[6a](C[5]N[5,5a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	115.3840	0.000	1	115.3840	0.000	1	115.0003	0.114	3	113.8095	3.478	86	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:1:1:	4:3:3:	N[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]N[5,5a]C[6a]H)(C[5]C[5,5a]HO)(H)2	C[6a](C[5]N[5,5a]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,3|H<1>,5|C<3>}	C[5](C[5]N[5,5a]C[6a]H)(C[5]C[5,5a]HO)(H)2{4|C<3>}	C[6a](C[5]N[5,5a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	114.8690	0.000	1	114.8690	0.000	1	115.0003	0.114	3	113.8095	3.478	86	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:1:1:	4:3:3:	N[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]N[5,5a]C[6a]H)(C[5]N[5,5a]CC)(H)2	C[6a](C[5]N[5,5a]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]N[5,5a]C[6a]H)(C[5]N[5,5a]CC)(H)2{4|C<3>}	C[6a](C[5]N[5,5a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	114.7480	0.000	1	114.7480	0.000	1	115.0003	0.114	3	113.8095	3.478	86	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:1:1:	4:3:3:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-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]C[5]HH)(H)	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,3|C<3>,5|H<1>}	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	112.7240	0.000	1	112.7240	0.000	1	112.9588	0.199	5	113.8095	3.478	86	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:1:1:	4:3:3:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-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]C[5]HH)(H)	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]N[6]H)(H)2	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]N[6]H)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,4|H<1>}	113.5170	0.000	1	113.5170	0.000	1	112.9588	0.199	5	113.8095	3.478	86	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:1:1:	4:3:3:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,4|C<3>,5|H<1>}	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	112.5500	0.000	1	112.8510	0.198	3	112.9588	0.199	5	113.8095	3.478	86	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:1:1:	4:3:3:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<3>,4|C<3>,5|H<1>}	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	113.0015	0.510	2	112.8510	0.198	3	112.9588	0.199	5	113.8095	3.478	86	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:1:1:	4:3:3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5,5]CC)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|H<1>,8|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5,5]CC)(H)2{5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	111.6616	1.997	5	111.6616	3.987	5	113.1830	4.627	31	113.8095	3.478	86	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:1:1:	4:3:3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	115.9795	0.909	4	115.9795	0.827	4	113.1830	4.627	31	113.8095	3.478	86	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:1:1:	4:3:3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-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)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|H<1>,7|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H)2{4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	110.2750	0.000	1	109.4930	1.223	2	113.1830	4.627	31	113.8095	3.478	86	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:1:1:	4:3:3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-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)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){4|H<1>,6|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H)2{2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	108.7110	0.000	1	109.4930	1.223	2	113.1830	4.627	31	113.8095	3.478	86	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:1:1:	4:3:3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-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)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CO)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CO)(H)2{1|O<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	111.9670	0.000	1	111.9670	0.000	1	113.1830	4.627	31	113.8095	3.478	86	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:1:1:	4:3:3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-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)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,4|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	112.3945	0.961	2	111.9517	0.795	7	113.1830	4.627	31	113.8095	3.478	86	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:1:1:	4:3:3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-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)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,4|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|O<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	112.3480	0.000	1	111.9517	0.795	7	113.1830	4.627	31	113.8095	3.478	86	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:1:1:	4:3:3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-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)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|H<1>,4|C<4>}	111.6312	0.981	4	111.9517	0.795	7	113.1830	4.627	31	113.8095	3.478	86	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:1:1:	4:3:3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-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)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,4|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(H)2{1|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	112.0270	0.000	1	112.0270	0.000	1	113.1830	4.627	31	113.8095	3.478	86	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:1:1:	4:3:3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(H)2{5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	113.5020	0.000	1	113.5020	0.000	1	113.1830	4.627	31	113.8095	3.478	86	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:1:1:	4:3:3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(H)2{1|N<2>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	114.0300	0.000	1	114.0300	0.000	1	113.1830	4.627	31	113.8095	3.478	86	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:1:1:	4:3:3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]O[5]CH)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]O[5]CH)(H)2{3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	115.7140	0.000	1	115.7140	0.000	1	113.1830	4.627	31	113.8095	3.478	86	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:1:1:	4:3:3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HO)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HO)(H)2{3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	113.5055	0.175	2	113.5055	0.031	2	113.1830	4.627	31	113.8095	3.478	86	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:1:1:	4:3:3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5]N[5a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]N[5a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	114.9247	1.020	6	114.9247	1.041	6	113.1830	4.627	31	113.8095	3.478	86	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:2:1:	3:3:4:	C[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:O-2: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]HO)(H)	C[5](C[5]C[6a]C[5]H)2(OH)(H)	C[6a](C[6a]C[6a]O)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HO)(H){1|C<2>,1|H<1>,2|O<2>,5|C<3>}	C[5](C[5]C[6a]C[5]H)2(OH)(H){1|C<2>,5|C<3>}	C[6a](C[6a]C[6a]O)2(C[5]C[5]2H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	113.8320	0.000	1	113.8320	0.000	1	113.8320	0.000	1	113.8320	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:2:1:	4:3:3:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[5,5a]C[6a]H)(C[5]N[5,5a]C[5a]H)(CN)(H)	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,3|H<1>,5|C<3>}	C[5](C[5]C[5,5a]C[6a]H)(C[5]N[5,5a]C[5a]H)(CN)(H){6|C<3>}	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2{1|C<2>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	116.2530	0.000	1	116.2530	0.000	1	116.2530	0.000	1	113.6120	3.126	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:2:1:	4:3:3:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:O-2: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]C[5]HO)(H)	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)(OSi)(H)	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HO)(H){1|O<1>,1|O<2>,3|C<3>,5|H<1>}	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)(OSi)(H){1|H<1>,4|C<3>}	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	112.5040	0.000	1	112.5040	0.000	1	112.5040	0.000	1	113.6120	3.126	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:2:1:	4:3:3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CN)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<2>,1|O<2>,3|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CN)(H){1|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<2>,2|C<3>,2|C<4>,3|H<1>}	112.8540	0.000	1	112.8540	0.000	1	112.8455	0.000	2	113.6120	3.126	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:2:1:	4:3:3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CN)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<2>,4|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CN)(H){1|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<2>,2|C<3>,2|C<4>,3|H<1>}	112.8370	0.000	1	112.8370	0.000	1	112.8455	0.000	2	113.6120	3.126	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:3:1:	3:3:4:	C[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CCO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CCO)(H){5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	112.3840	0.000	1	112.3840	0.000	1	112.8573	1.174	3	112.8573	1.174	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:3:1:	3:3:4:	C[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){4|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CC[6a]O)(H){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	113.0940	1.418	2	113.0940	2.012	2	112.8573	1.174	3	112.8573	1.174	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:3:1:	4:3:2:	C[6a]-3:N[5]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[6a]-3:N[6a]-2:	C[5](C[6a]C[6a]N[6a])(N[5]C[6a]C[5])(C[5]C[5]HN)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(NOO)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[5](C[6a]C[6a]N[6a])(N[5]C[6a]C[5])(C[5]C[5]HN)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(NOO)(H){1|N<2>,1|O<1>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	113.2860	0.000	1	113.2860	0.000	1	113.2860	0.000	1	112.6605	0.783	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:3:1:	4:3:2:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[6a]-2:	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(C[5]C[6a]C[5]H)(H)	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]CH)(C[6a]C[6a]2)(H)	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(C[5]C[6a]C[5]H)(H){1|O<1>,2|C<4>,2|H<1>,6|C<3>}	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]CH)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<4>,3|C<3>,3|H<1>}	112.0350	0.000	1	112.0350	0.000	1	112.0350	0.000	1	112.6605	0.783	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:3:1:	4:3:3:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]HH)(COO)(H)	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H){4|C<3>,5|H<1>}	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]HH)(COO)(H){1|N<3>,3|C<3>}	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<3>,2|O<2>,3|C<3>}	111.1470	0.000	1	111.1470	0.000	1	112.4301	0.716	7	114.4456	4.704	34	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:3:1:	4:3:3:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[5,5a]C[6a]H)(C[5]N[5,5a]C[5a]H)(CCO)(H)	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,3|H<1>,5|C<3>}	C[5](C[5]C[5,5a]C[6a]H)(C[5]N[5,5a]C[5a]H)(CCO)(H){6|C<3>}	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	113.2755	0.231	2	113.2755	0.053	2	112.4301	0.716	7	114.4456	4.704	34	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:3:1:	4:3:3:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[5,5a]C[6a]H)(C[5]N[5,5a]C[5a]H)(COO)(H)	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,3|H<1>,5|C<3>}	C[5](C[5]C[5,5a]C[6a]H)(C[5]N[5,5a]C[5a]H)(COO)(H){6|C<3>}	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	112.3533	0.747	3	112.3533	0.558	3	112.4301	0.716	7	114.4456	4.704	34	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:3:1:	4:3:3:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[5,5a]C[6a]H)(C[5]N[5,5a]HN)(COO)(H)	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5](C[5]C[5,5a]C[6a]H)(C[5]N[5,5a]HN)(COO)(H){4|C<3>}	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	112.2530	0.000	1	112.2530	0.000	1	112.4301	0.716	7	114.4456	4.704	34	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:3:1:	4:3:3:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]CH)(NOO)(H)	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]CH)(NOO)(H){1|N<3>,3|C<3>}	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	115.8980	0.000	1	115.8980	0.000	1	115.8980	0.000	1	114.4456	4.704	34	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-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]C[5]CH)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(COO)(H)	C[6a](C[5]C[5,6a]C[5]H)(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]CH)(H){1|C<4>,4|C<3>,4|H<1>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(COO)(H){4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	114.5640	0.000	1	114.5640	0.000	1	115.5305	1.868	2	114.4456	4.704	34	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-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]C[5]CH)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)(CC[6a]O)(H)	C[6a](C[5]C[5,6a]C[5]H)(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]CH)(H){4|C<3>,5|H<1>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)(CC[6a]O)(H){4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	116.4970	0.000	1	116.4970	0.000	1	115.5305	1.868	2	114.4456	4.704	34	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:3:1:	4:3:3:	C[6a]-3:N[5]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]N[5]H)(C[5]C[5]N[5])(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(C[5]C[5]2H)(H){1|C<4>,1|N<2>,3|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]N[5]H)(C[5]C[5]N[5])(H){1|H<1>,2|C<4>,8|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	116.7360	1.216	2	116.7360	1.479	2	116.7360	1.479	2	114.4456	4.704	34	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:3:1:	4:3:3:	C[6a]-3:N[5]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(C[5]C[5]HN)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]N[5]H)(NOO)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(C[5]C[5]HN)(H){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]N[5]H)(NOO)(H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	116.0196	2.117	5	115.7585	3.994	6	115.7585	3.994	6	114.4456	4.704	34	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:3:1:	4:3:3:	C[6a]-3:N[5]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(C[5]C[5]HN)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]N[5]H)(NOO)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(C[5]C[5]HN)(H){3|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]N[5]H)(NOO)(H){1|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	114.4530	0.000	1	115.7585	3.994	6	115.7585	3.994	6	114.4456	4.704	34	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:3:1:	4:3:3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3: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)(C[5]C[5]CH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]C[6a]H)(COO)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]C[6a]H)(COO)(H){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,3|C<4>,3|H<1>}	118.9900	0.000	1	118.9900	0.000	1	114.6837	5.098	7	114.4456	4.704	34	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:3:1:	4:3:3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5,5]C[5,5]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[5,5]C[6a]O)(C[5]N[5,5]C[6a]H)(CC[6a]O)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,5]C[5,5]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a]O)(C[5]N[5,5]C[6a]H)(CC[6a]O)(H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|C<4>,3|H<1>}	115.2930	0.000	1	115.2930	0.000	1	114.6837	5.098	7	114.4456	4.704	34	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:3:1:	4:3:3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3: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]CH)(H)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]CH)(CHO)(H)	C[6a](C[5]N[5,5]C[5]H)(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]CH)(H){2|C<4>,3|C<3>,5|H<1>}	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]CH)(CHO)(H){1|C<4>,3|C<3>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	114.4015	0.463	2	114.4015	0.215	2	114.6837	5.098	7	114.4456	4.704	34	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:3:1:	4:3:3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3: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]CH)(H)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]HH)(CN[5]O)(H)	C[6a](C[5]N[5,5]C[5]H)(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]CH)(H){3|C<3>,3|C<4>,4|H<1>}	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]HH)(CN[5]O)(H){1|C<4>,3|C<3>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	113.2333	1.579	3	113.2333	2.493	3	114.6837	5.098	7	114.4456	4.704	34	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:3:1:	4:3:3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(COO)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,3|H<1>,6|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(COO)(H){1|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	115.7925	0.927	2	115.7925	0.859	2	114.0411	5.181	9	114.4456	4.704	34	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:3:1:	4:3:3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(COO)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<2>,3|H<1>,6|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(COO)(H){1|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<4>,3|C<3>,3|H<1>}	118.4810	0.000	1	118.4810	0.000	1	114.0411	5.181	9	114.4456	4.704	34	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:3:1:	4:3:3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(COO)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){4|H<1>,6|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(COO)(H){1|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	112.9333	1.178	3	112.9333	1.388	3	114.0411	5.181	9	114.4456	4.704	34	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:3:1:	4:3:3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[5a]O[5]H)(C[5]C[6a]N[5]H)(CC[6]O)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){3|H<1>,5|C<3>}	C[5](C[5]C[5a]O[5]H)(C[5]C[6a]N[5]H)(CC[6]O)(H){1|S<2>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	112.7910	0.000	1	112.7910	0.000	1	114.0411	5.181	9	114.4456	4.704	34	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:3:1:	4:3:3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(CC[5a]O)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<2>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(CC[5a]O)(H){5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	111.6340	0.000	1	111.6340	0.000	1	114.0411	5.181	9	114.4456	4.704	34	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:3:1:	4:3:3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]O[5]CH)(COO)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<2>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]O[5]CH)(COO)(H){3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	113.0790	0.000	1	113.0790	0.000	1	114.0411	5.181	9	114.4456	4.704	34	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:3:2:	4:3:3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CO)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(OC)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CO)(H){1|O<1>,4|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(OC){1|O<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	116.6710	0.000	2	116.6710	0.000	2	116.6710	0.000	2	116.6710	0.000	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3: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]C[5]CC)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(COO)2	C[6a](C[5]C[5,6a]C[5]H)(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]CC)(H){1|C<4>,4|C<3>,4|H<1>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(COO)2{4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{3|C<4>,5|C<3>}	118.5930	0.000	1	118.5930	0.000	1	118.5930	0.000	1	115.5750	9.280	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:3:3:	4:3:3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5,5]C[5,5]O[5])(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH)(COO)2	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5](N[5,5]C[5,5]O[5])(C[6a]C[6a]2)(C[5]C[5]CC)(H){2|C<3>,2|C<4>,5|H<1>}	C[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH)(COO)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	115.6310	0.000	1	115.6310	0.000	1	115.6310	0.000	1	115.5750	9.280	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:3:3:	4:3:3:	N[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[5](C[5]N[5,5a]C[6a]H)(C[5]N[5,5a]HH)(COO)2	C[6a](C[5]N[5,5a]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5](C[5]N[5,5a]C[6a]H)(C[5]N[5,5a]HH)(COO)2{4|C<3>}	C[6a](C[5]N[5,5a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	112.5010	0.000	1	112.5010	0.000	1	112.5010	0.000	1	115.5750	9.280	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:4:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[6,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6,6a]C[6a])(C[5]C[5]CH)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)(CCCO)(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6,6a]C[6a])(C[5]C[5]CH)(H){1|O<2>,3|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)(CCCO)(H){4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>,4|C<4>}	111.2450	0.000	1	111.2450	0.000	1	111.2450	0.000	1	111.2450	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:4:1:	4:3:3:	B[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](B[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[6a]B[5]H)(C[5]C[5]HH)(CH3)(H)	C[6a](C[5]B[5]C[5]H)(C[6a]C[6a]F)2	C[5](B[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|B<3>,2|F<1>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]B[5]H)(C[5]C[5]HH)(CH3)(H){1|B<3>,1|H<1>,3|C<3>}	C[6a](C[5]B[5]C[5]H)(C[6a]C[6a]F)2{1|H<1>,2|C<3>,2|F<1>,3|C<4>}	114.3730	0.000	1	114.3730	0.000	1	114.3730	0.000	1	114.7008	5.910	21	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:4:1:	4:3:3:	C[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]N[5])(C[6a]C[6a]2)(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(C[5]O[5]2H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]N[5])(C[6a]C[6a]2)(C[5]C[5]2H)(H){1|C<4>,2|C<3>,3|O<2>,6|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(C[5]O[5]2H)(H){1|H<1>,1|N<2>,2|C<3>,3|C<4>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,3|C<4>,3|H<1>}	117.9030	0.000	1	117.9030	0.000	1	117.9030	0.000	1	114.7008	5.910	21	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:4:1:	4:3:3:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[5,5a]C[6a]2)(C[5]C[5,5a]C[6a]H)(CCHH)(H)	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|N<3>,2|H<1>,6|C<3>}	C[5](C[5]C[5,5a]C[6a]2)(C[5]C[5,5a]C[6a]H)(CCHH)(H){1|N<3>,7|C<3>}	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	114.8990	0.000	1	114.8990	0.000	1	114.8990	0.000	1	114.7008	5.910	21	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:4:1:	4:3:3:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]HS)(H)	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]HH)(SC[6a]OO)(H)	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]HS)(H){1|S<2>,3|C<3>,5|H<1>}	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]HH)(SC[6a]OO)(H){1|S<2>,3|C<3>}	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,3|C<3>,3|H<1>}	113.4260	0.000	1	113.4260	0.000	1	113.4260	0.000	1	114.7008	5.910	21	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:4:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-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]C[5]CH)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(CCCH)(H)	C[6a](C[5]C[5,6a]C[5]H)(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]CH)(H){1|C<4>,4|C<3>,4|H<1>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(CCCH)(H){4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	114.3655	1.846	2	114.3655	3.409	2	115.2763	4.193	3	114.7008	5.910	21	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:4:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-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]C[5]CH)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[5]H)(CCHH)(H)	C[6a](C[5]C[5,6a]C[5]H)(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]CH)(H){1|C<4>,4|C<3>,4|H<1>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[5]H)(CCHH)(H){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	117.0980	0.000	1	117.0980	0.000	1	115.2763	4.193	3	114.7008	5.910	21	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:4:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-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]C[5]2H)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]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]2H)(H){2|C<4>,5|C<3>,5|H<1>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H){1|H<1>,2|C<4>,6|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	116.2120	0.871	2	116.2120	0.759	2	116.0373	0.327	4	114.7008	5.910	21	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:4:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-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]C[5]2H)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HO)(C[5]C[5]2H)(H)	C[6a](C[5]C[5,6a]C[5]H)(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]2H)(H){1|C<4>,1|O<2>,5|C<3>,5|H<1>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HO)(C[5]C[5]2H)(H){1|H<1>,1|O<1>,7|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	115.8625	0.316	2	115.8625	0.100	2	116.0373	0.327	4	114.7008	5.910	21	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:4:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:S-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]C[5]HS)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[6]H)(SC[6a]OO)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HS)(H){1|C<4>,4|C<3>,4|H<1>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[6]H)(SC[6a]OO)(H){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	111.6070	0.000	1	111.6070	0.000	1	111.3973	0.193	3	114.7008	5.910	21	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:4:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:S-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]C[5]HS)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)(SC[6a]OO)(H)	C[6a](C[5]C[5,6a]C[5]H)(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]HS)(H){4|C<3>,5|H<1>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)(SC[6a]OO)(H){4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,3|C<3>,3|H<1>}	110.8930	0.000	1	110.8930	0.000	1	111.3973	0.193	3	114.7008	5.910	21	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:4:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]C[5]HS)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)(SC[6a]OO)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]C[5]HS)(H){4|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)(SC[6a]OO)(H){4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,3|C<3>,3|H<1>}	111.6920	0.000	1	111.6920	0.000	1	111.3973	0.193	3	114.7008	5.910	21	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:4:1:	4:3:3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-4: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)(C[5]C[5]2H)(H)	C[5](C[5]N[5,5]C[6a]H)(C[5]C[5]O[5]H)(C[5]C[5,5]HN)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]2H)(H){1|N<3>,1|S<2>,2|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[5](C[5]N[5,5]C[6a]H)(C[5]C[5]O[5]H)(C[5]C[5,5]HN)(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,3|H<1>,4|C<4>}	117.4150	0.000	1	115.6245	6.412	2	115.6245	6.412	2	114.7008	5.910	21	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:4:1:	4:3:3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-4: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)(C[5]C[5]2H)(H)	C[5](C[5]N[5,5]C[6a]H)(C[5]C[5]O[5]H)(C[5]C[5,5]HN)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]2H)(H){1|N<3>,2|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[5](C[5]N[5,5]C[6a]H)(C[5]C[5]O[5]H)(C[5]C[5,5]HN)(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|C<3>,2|H<1>,4|C<4>}	113.8340	0.000	1	115.6245	6.412	2	115.6245	6.412	2	114.7008	5.910	21	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:4:1:	4:3:3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CHHO)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){4|C<3>,6|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CHHO)(H){2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	111.1840	0.000	1	111.1840	0.000	1	111.8830	0.977	2	114.7008	5.910	21	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:4:1:	4:3:3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]O[5]CH)(CHHO)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]O[5]CH)(CHHO)(H){3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	112.5820	0.000	1	112.5820	0.000	1	111.8830	0.977	2	114.7008	5.910	21	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:4:1:	4:3:3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:P-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HP)(H)	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HP)(PC[6a]BC)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HP)(H){1|P<4>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HP)(PC[6a]BC)(H){3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,1|P<4>,2|C<3>,3|H<1>}	118.2585	0.136	2	118.2585	0.019	2	118.2585	0.019	2	114.7008	5.910	21	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:4:1:	4:3:3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HS)(H)	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HS)(SC[6a]OO)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HS)(H){1|S<4>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HS)(SC[6a]OO)(H){3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,1|S<4>,2|C<3>,3|H<1>}	112.4130	0.000	1	112.4130	0.000	1	112.4130	0.000	1	114.7008	5.910	21	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:1:	4:4:4:4:	4:3:3:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]HH)(CH3)2	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|S<4>,4|C<3>,4|H<1>}	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]HH)(CH3)2{1|N<3>,3|C<3>}	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	116.4380	0.000	1	116.4380	0.000	1	116.4380	0.000	1	116.4380	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:2:	4:2:1:1:	4:3:3:	C[5,6]-3:C[6a]-3:C[5]-4:O-2:	C[5]-4:O[5]-2:H-1:H-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]HH)(OH)	C[5](C[5]C[5,6]C[6a]O)(O[5]C[5,6])(H)2	C[6a](C[5]C[5,6]C[5]O)(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]HH)(OH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]C[6a]O)(O[5]C[5,6])(H)2{1|C<4>,3|C<3>}	C[6a](C[5]C[5,6]C[5]O)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,4|H<1>}	112.3640	0.000	1	112.3640	0.000	1	112.3640	0.000	1	112.9634	3.482	12	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:2:	4:2:1:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:N[5]-2:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]N[5]HH)(O[5]C[5])	C[5](C[5]C[6a]2O[5])(N[5]C[5])(H)2	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]N[5]HH)(O[5]C[5]){4|H<1>,5|C<3>}	C[5](C[5]C[6a]2O[5])(N[5]C[5])(H)2{5|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|N<2>,4|C<3>,4|H<1>}	112.8577	2.194	8	112.8577	4.811	8	112.8577	4.811	8	112.9634	3.482	12	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:2:	4:2:1:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]O[5]HH)(O[5]S[5])	C[5](C[5]C[6a]2O[5])(O[5]S[5])(H)2	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]O[5]HH)(O[5]S[5]){1|O<1>,4|C<3>,4|H<1>}	C[5](C[5]C[6a]2O[5])(O[5]S[5])(H)2{1|O<1>,4|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|O<2>,1|S<3>,3|C<3>,4|H<1>}	112.7075	0.457	2	112.7075	0.209	2	112.7075	0.209	2	112.9634	3.482	12	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:2:	4:2:1:1:	4:3:3:	N[5]-3:C[6a]-3:C[5]-4:O-2:	C[5]-4:S[5]-2: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)(C[5]S[5]HH)(OH)	C[5](C[5]C[6a]N[5]O)(S[5]C[5])(H)2	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]HH)(OH){1|N<2>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]O)(S[5]C[5])(H)2{1|N<2>,3|C<3>}	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2{1|S<2>,3|C<3>,4|H<1>}	114.9200	0.000	1	114.9200	0.000	1	114.9200	0.000	1	112.9634	3.482	12	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:2:	4:3:1:1:	3:3:4:	C[5]-3:C[6a]-3:C[5]-4:O-2:	C[5]-4:C[5]-3: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]HH)(OH)	C[5](C[5]C[6a]C[5]O)(C[5]C[5]C)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(OH){3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]O)(C[5]C[5]C)(H)2{1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){4|C<3>,4|H<1>}	109.7570	0.000	1	109.7570	0.000	1	110.9473	1.080	3	110.9473	1.080	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:2:	4:3:1:1:	3:3:4:	C[5]-3:C[6a]-3:C[5]-4:O-2:	C[5]-4:C[5]-3: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]HH)(OH)	C[5](C[5]C[6a]C[5]O)(C[5]C[5]O)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(OH){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]O)(C[5]C[5]O)(H)2{1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){4|C<3>,4|H<1>}	111.5425	0.186	2	111.5425	0.035	2	110.9473	1.080	3	110.9473	1.080	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:2:	4:3:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:C-2:	C[5]-4:N[5]-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]HH)(CN)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]S)(H)2	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a,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]HH)(CN){1|S<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]S)(H)2{4|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	112.4820	0.000	1	112.4820	0.000	1	112.4820	0.000	1	112.7900	0.880	6	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:2:	4:3:1:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]N[5]HH)(N[5]C[5])	C[5](C[5]C[6a]2N[5])(N[5]C[5]S)(H)2	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]N[5]HH)(N[5]C[5]){1|N<3>,1|S<4>,4|C<3>,4|H<1>}	C[5](C[5]C[6a]2N[5])(N[5]C[5]S)(H)2{1|N<3>,4|C<3>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,4|C<3>,4|H<1>}	112.0650	0.571	2	112.0650	0.326	2	112.0650	0.326	2	112.7900	0.880	6	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:2:	4:3:1:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(O[5]C[5])	C[5](C[5]C[6a]2O[5])(C[5]C[5]C)(H)2	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(O[5]C[5]){5|C<3>,6|H<1>}	C[5](C[5]C[6a]2O[5])(C[5]C[5]C)(H)2{2|H<1>,4|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	113.2790	1.356	2	113.2790	1.839	2	113.2790	1.839	2	112.7900	0.880	6	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:2:	4:3:1:1:	4:3:3:	N[5]-3:C[6a]-3:C[5]-4:O-2:	C[5]-4:C[5]-3: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]C[5]HH)(OH)	C[5](C[5]C[6a]N[5]O)(C[5]C[6a]N[5])(H)2	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(OH){1|N<2>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]O)(C[5]C[6a]N[5])(H)2{5|C<3>}	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,4|H<1>}	113.5700	0.000	1	113.5700	0.000	1	113.5700	0.000	1	112.7900	0.880	6	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:2:	4:3:2:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:O-2:	C[5]-4:N[5]-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]HO)(OC)	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]C)(OC)(H)	C[6a](C[5]C[5,6a]C[5]O)(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]HO)(OC){3|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]C)(OC)(H){4|C<3>}	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,3|C<3>,3|H<1>}	112.6110	0.000	1	112.6110	0.000	1	112.6110	0.000	1	112.6110	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:2:	4:3:4:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:O-2:	C[5]-4:C[5]-3:C[5]-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]C[5]2H)(OH)	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(C[5]C[5]2H)(H)	C[6a](C[5]C[5,6a]C[5]O)(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]2H)(OH){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(C[5]C[5]2H)(H){1|O<1>,1|O<2>,7|C<3>}	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	111.1320	0.000	1	111.1320	0.000	1	111.1320	0.000	1	114.0261	3.320	35	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:2:	4:3:4:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]C[5]CH)(O[5]C[5])	C[5](C[5]C[6a]2O[5])(C[5]C[5]C)(CHHO)(H)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]CH)(O[5]C[5]){1|C<4>,4|H<1>,5|C<3>}	C[5](C[5]C[6a]2O[5])(C[5]C[5]C)(CHHO)(H){1|C<4>,4|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,5|C<3>}	113.6355	3.959	2	113.6355	15.674	2	113.6355	15.674	2	114.0261	3.320	35	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:2:	4:3:4:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]N[5]CH)(O[5]B[5])	C[5](C[5]C[6a]2O[5])(N[5]B[5]C[6])(CCCH)(H)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]N[5]CH)(O[5]B[5]){1|Ir<8>,4|H<1>,5|C<3>}	C[5](C[5]C[6a]2O[5])(N[5]B[5]C[6])(CCCH)(H){1|Ir<8>,1|N<3>,5|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|B<3>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	114.4040	1.260	2	114.4040	1.588	2	114.1410	2.842	32	114.0261	3.320	35	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:2:	4:3:4:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]N[5]CH)(O[5]C[5])	C[5](C[5]C[6a]2O[5])(N[5]C[5]C)(CCCH)(H)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]N[5]CH)(O[5]C[5]){1|O<1>,4|H<1>,5|C<3>}	C[5](C[5]C[6a]2O[5])(N[5]C[5]C)(CCCH)(H){1|O<1>,4|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	114.2338	1.762	12	114.2338	3.103	12	114.1410	2.842	32	114.0261	3.320	35	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:2:	4:3:4:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]N[5]CH)(O[5]C[5])	C[5](C[5]C[6a]2O[5])(N[5]C[5]C)(CCFH)(H)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)2(C[5]N[5]CH)(O[5]C[5]){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	C[5](C[5]C[6a]2O[5])(N[5]C[5]C)(CCFH)(H){1|O<1>,4|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	113.4010	3.632	2	113.4010	13.189	2	114.1410	2.842	32	114.0261	3.320	35	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:2:	4:3:4:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]N[5]CH)(O[5]C[5])	C[5](C[5]C[6a]2O[5])(N[5]C[5]C)(CCFH)(H)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]N[5]CH)(O[5]C[5]){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[5](C[5]C[6a]2O[5])(N[5]C[5]C)(CCFH)(H){1|O<1>,4|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	114.4418	2.111	6	114.4418	4.455	6	114.1410	2.842	32	114.0261	3.320	35	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:2:	4:3:4:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]N[5]CH)(O[5]C[5])	C[5](C[5]C[6a]2O[5])(N[5]C[5]C)(CCHH)(H)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)2(C[5]N[5]CH)(O[5]C[5]){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[5](C[5]C[6a]2O[5])(N[5]C[5]C)(CCHH)(H){1|O<1>,4|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	113.7833	1.876	4	113.7833	3.518	4	114.1410	2.842	32	114.0261	3.320	35	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:2:	4:3:4:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]N[5]CH)(O[5]C[5])	C[5](C[5]C[6a]2O[5])(N[5]C[5]C)(CCHH)(H)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]N[5]CH)(O[5]C[5]){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[5](C[5]C[6a]2O[5])(N[5]C[5]C)(CCHH)(H){1|O<1>,4|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	113.7610	0.712	4	113.7610	0.508	4	114.1410	2.842	32	114.0261	3.320	35	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:2:	4:3:4:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]N[5]CH)(O[5]C[5])	C[5](C[5]C[6a]2O[5])(N[5]C[5]S)(CCCH)(H)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]N[5]CH)(O[5]C[5]){1|O<1>,1|S<2>,4|C<3>,4|H<1>}	C[5](C[5]C[6a]2O[5])(N[5]C[5]S)(CCCH)(H){1|O<1>,4|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	114.6340	1.172	2	114.6340	1.374	2	114.1410	2.842	32	114.0261	3.320	35	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:2:	4:4:1:1:	4:3:2:	C[6a]-3:N[5]-3:C[5]-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:N[6a]-2:	C[5](C[6a]C[6a]N[6a])(N[5]C[5,5]C)(C[5]C[5]HH)(OH)	C[5](C[5]C[5,5]C[5a]H)(C[5]C[6a]N[5]O)(H)2	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)(N[6a]C[6a])	C[5](C[6a]C[6a]N[6a])(N[5]C[5,5]C)(C[5]C[5]HH)(OH){2|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[5a]H)(C[5]C[6a]N[5]O)(H)2{1|N<2>,1|S<2>,5|C<3>}	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|C<4>,4|H<1>}	112.0050	0.000	1	112.0050	0.000	1	112.0050	0.000	1	112.0050	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:2:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:O-2:	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]C[5]HH)(OC)	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]CH)(H)2	C[6a](C[5]C[5,6a]C[5]O)(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)(OC){1|C<2>,4|C<3>,4|H<1>}	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]CH)(H)2{4|C<3>}	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	110.6960	0.000	1	110.6960	0.000	1	113.1400	4.509	3	113.1071	2.534	17	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:2:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:O-2:	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]C[5]HH)(OH)	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]CC)(H)2	C[6a](C[5]C[5,6a]C[5]O)(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)(OH){2|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]CC)(H)2{4|C<3>}	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	114.3620	0.240	2	114.3620	0.058	2	113.1400	4.509	3	113.1071	2.534	17	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:2:	4:4:1:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(N[5]C[5])	C[5](C[5]C[6a]2N[5])(C[5]C[5]HH)(H)2	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(N[5]C[5]){5|C<3>,6|H<1>}	C[5](C[5]C[6a]2N[5])(C[5]C[5]HH)(H)2{5|C<3>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	112.5375	2.336	4	112.5375	5.457	4	112.5375	5.457	4	113.1071	2.534	17	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:2:	4:4:1:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(O[5]C[5])	C[5](C[5]C[6a]2O[5])(C[5]C[5]CC)(H)2	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(O[5]C[5]){1|O<2>,2|C<4>,4|C<3>,5|H<1>}	C[5](C[5]C[6a]2O[5])(C[5]C[5]CC)(H)2{1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	113.7460	0.422	4	113.7460	0.178	4	113.4707	1.325	8	113.1071	2.534	17	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:2:	4:4:1:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(O[5]C[5])	C[5](C[5]C[6a]2O[5])(C[5]C[5]HH)(H)2	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(O[5]C[5]){1|O<2>,4|C<3>,7|H<1>}	C[5](C[5]C[6a]2O[5])(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	112.9710	1.021	2	112.9710	1.043	2	113.4707	1.325	8	113.1071	2.534	17	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:2:	4:4:1:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(O[5]O[5])	C[5](C[5]C[6a]2O[5])(C[5]C[6]O[5]H)(H)2	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(O[5]O[5]){1|C<4>,4|C<3>,5|H<1>}	C[5](C[5]C[6a]2O[5])(C[5]C[6]O[5]H)(H)2{1|C<4>,1|O<2>,5|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,4|H<1>}	113.4200	2.625	2	113.4200	6.889	2	113.4707	1.325	8	113.1071	2.534	17	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:2:	4:4:1:1:	4:3:3:	N[5]-3:C[6a]-3:C[5]-4:C-2:	C[5]-4:C[5]-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)(C[5]C[5]HH)(CN)	C[5](C[5]C[6a]N[5]C)(C[5]C[5]CH)(H)2	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CN){5|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]C)(C[5]C[5]CH)(H)2{2|H<1>,3|C<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>}	111.4660	0.000	1	111.4660	0.000	1	112.7425	3.259	2	113.1071	2.534	17	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:2:	4:4:1:1:	4:3:3:	N[5]-3:C[6a]-3:C[5]-4:C-2:	C[5]-4:C[5]-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)(C[5]C[5]HH)(CN)	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(H)2	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CN){1|O<1>,4|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(H)2{1|O<1>,3|C<3>}	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	114.0190	0.000	1	114.0190	0.000	1	112.7425	3.259	2	113.1071	2.534	17	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:2:	4:4:2:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:C[5]-4:C-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]C[5]CH)(N[5]P[5])	C[5](C[5]C[6a]2N[5])(C[5]P[5]HH)(CN)(H)	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]CH)(N[5]P[5]){6|C<3>,6|H<1>}	C[5](C[5]C[6a]2N[5])(C[5]P[5]HH)(CN)(H){6|C<3>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|C<2>,1|C<4>,1|P<4>,3|C<3>,3|H<1>}	109.8600	0.569	2	109.8600	0.323	2	109.8600	0.323	2	111.1872	5.267	6	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:2:	4:4:2:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]C[5]HO)(O[5]C[5])	C[5](C[5]C[6a]2O[5])(C[5]C[5]HH)(OH)(H)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]HO)(O[5]C[5]){1|C<4>,4|C<3>,7|H<1>}	C[5](C[5]C[6a]2O[5])(C[5]C[5]HH)(OH)(H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	111.8508	2.629	4	111.8508	6.910	4	111.8508	6.910	4	111.1872	5.267	6	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:2:	4:4:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]C[5]HN)(O[5]C[5])	C[5](C[5]C[6a]2O[5])(C[5]C[5]CH)(NCC)(H)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]HN)(O[5]C[5]){1|C<4>,1|O<1>,4|C<3>,5|H<1>}	C[5](C[5]C[6a]2O[5])(C[5]C[5]CH)(NCC)(H){1|O<1>,4|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	113.1685	3.489	4	113.1685	12.170	4	113.1685	12.170	4	113.1820	7.314	6	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:2:	4:4:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:S[5]-2:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]C[5]CH)(S[5]C[5])	C[5](C[5]C[6a]2S[5])(C[5]C[5]CH)(CC[6a]O)(H)	C[6a](C[5]C[6a]C[5]S[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]CH)(S[5]C[5]){1|C<4>,4|C<3>,7|H<1>}	C[5](C[5]C[6a]2S[5])(C[5]C[5]CH)(CC[6a]O)(H){2|H<1>,4|C<3>}	C[6a](C[5]C[6a]C[5]S[5])(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	113.2090	0.245	2	113.2090	0.060	2	113.2090	0.060	2	113.1820	7.314	6	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:2:	4:4:4:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]C[5]CH)(O[5]C[5])	C[5](C[5]C[6a]2O[5])(C[5]C[5]CH)(CH3)(H)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]CH)(O[5]C[5]){1|C<4>,1|O<1>,4|C<3>,5|H<1>}	C[5](C[5]C[6a]2O[5])(C[5]C[5]CH)(CH3)(H){1|O<1>,4|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	114.3575	1.531	2	113.7955	2.671	4	113.7955	2.671	4	113.7955	2.671	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:2:	4:4:4:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]C[5]CH)(O[5]C[5])	C[5](C[5]C[6a]2O[5])(C[5]C[5]CH)(CH3)(H)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]CH)(O[5]C[5]){1|C<4>,4|C<3>,7|H<1>}	C[5](C[5]C[6a]2O[5])(C[5]C[5]CH)(CH3)(H){2|H<1>,4|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|H<1>,2|O<2>,3|C<3>,3|C<4>}	113.2335	2.099	2	113.7955	2.671	4	113.7955	2.671	4	113.7955	2.671	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:3:	4:2:1:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:N[5]-3:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]O[5]HH)(N[5]S[5]H)	C[5](C[5]C[6a]2N[5])(O[5]S[5])(H)2	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]O[5]HH)(N[5]S[5]H){2|O<1>,4|C<3>,4|H<1>}	C[5](C[5]C[6a]2N[5])(O[5]S[5])(H)2{1|H<1>,2|O<1>,4|C<3>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|O<2>,1|S<4>,3|C<3>,5|H<1>}	112.3415	1.677	2	112.3415	2.811	2	112.3415	2.811	2	112.1917	1.473	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:3:	4:2:1:1:	4:3:3:	N[5]-3:C[6a]-3:C[5]-4:C-3:	C[5]-4:O[5]-2: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)(C[5]O[5]HH)(CCH)	C[5](C[5]C[6a]N[5]C)(O[5]C[5])(H)2	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(CCH){1|S<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]C)(O[5]C[5])(H)2{1|S<1>,3|C<3>}	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,4|H<1>}	111.8920	0.000	1	111.8920	0.000	1	111.8920	0.000	1	112.1917	1.473	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:3:	4:2:4:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:C-3:	C[5]-4:O[5]-2: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]O[5]CH)(COO)	C[5](C[5]C[5,6a]C[6a]C)(O[5]C[5,6a])(CCHH)(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]CH)(COO){3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(O[5]C[5,6a])(CCHH)(H){4|C<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>}	113.1900	0.000	1	113.1900	0.000	1	113.1900	0.000	1	113.1900	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:3:	4:3:1:1:	4:3:3:	C[5a]-3:C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5a]C[5a]O[5a])(C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C)	C[5](C[5]C[5a]C[6a]C[5])(C[5]N[5]O)(H)2	C[6a](C[5]C[5a]C[5]2)(C[6a]C[6a]H)2	C[5](C[5a]C[5a]O[5a])(C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C){1|O<1>,4|C<3>,4|H<1>}	C[5](C[5]C[5a]C[6a]C[5])(C[5]N[5]O)(H)2{1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5]C[5a]C[5]2)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,4|C<3>,4|H<1>}	110.2120	0.000	1	110.2120	0.000	1	110.2120	0.000	1	111.9960	1.622	10	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:3:	4:3:1:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5]C[6a]2C[5])(C[5]N[5]O)(H)2	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]N[5]O){1|O<1>,4|H<1>,5|C<3>}	C[5](C[5]C[6a]2C[5])(C[5]N[5]O)(H)2{1|O<1>,5|C<3>}	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,4|C<3>,4|H<1>}	112.2477	1.053	6	112.2477	1.108	6	112.2477	1.108	6	111.9960	1.622	10	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:3:	4:3:1:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]N[5]HH)(C[5]C[5]H)	C[5](C[5]C[6a]2C[5])(N[5]C[5]S)(H)2	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]N[5]HH)(C[5]C[5]H){1|C<4>,1|S<4>,4|C<3>,4|H<1>}	C[5](C[5]C[6a]2C[5])(N[5]C[5]S)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|N<3>,4|C<3>,5|H<1>}	111.6825	2.118	2	111.6825	4.485	2	111.6825	4.485	2	111.9960	1.622	10	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:3:	4:3:1:1:	4:3:3:	N[5]-3:C[6a]-3:C[5]-4:C-3:	C[5]-4:C[5]-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)(C[5]C[5]HH)(COO)	C[5](C[5]C[6a]N[5]C)(C[5]C[5]C)(H)2	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(COO){1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]C)(C[5]C[5]C)(H)2{1|O<1>,3|C<3>}	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	112.8970	0.000	1	112.8970	0.000	1	112.8970	0.000	1	111.9960	1.622	10	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:3:	4:4:1:1:	3:3:4:	C[5]-3:C[6a]-3:C[5]-4:N-3:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(NCH)	C[5](C[5]C[6a]C[5]N)(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2N)	C[5](C[5]C[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(NCH){2|N<3>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]N)(C[5]N[5]HH)(H)2{3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2N){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	110.4215	0.103	2	110.4215	0.011	2	110.4215	0.011	2	110.4215	0.011	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:3:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:C-3:	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]C[5]HH)(CNO)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]HH)(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]HH)(CNO){4|C<3>,5|H<1>}	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]HH)(H)2{4|C<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>}	109.3560	0.000	1	109.3560	0.000	1	110.9900	5.340	2	112.8226	6.970	11	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:3:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:C-3:	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]C[5]HH)(COO)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]CC)(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]HH)(COO){2|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]CC)(H)2{4|C<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>}	112.6240	0.000	1	112.6240	0.000	1	110.9900	5.340	2	112.8226	6.970	11	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:3:	4:4:1:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5]C[6a]2C[5])(C[5]N[5]HH)(H)2	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]N[5]O){1|N<3>,4|C<3>,6|H<1>}	C[5](C[5]C[6a]2C[5])(C[5]N[5]HH)(H)2{1|H<1>,1|O<1>,4|C<3>}	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	114.3720	0.000	1	114.3720	0.000	1	112.8911	6.841	8	112.8226	6.970	11	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:3:	4:4:1:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5]C[6a]2C[5])(C[5]N[5]HH)(H)2	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]N[5]O){1|N<3>,4|C<3>,6|H<1>}	C[5](C[5]C[6a]2C[5])(C[5]N[5]HH)(H)2{1|H<1>,1|O<1>,4|C<3>}	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	109.5480	0.000	1	109.5480	0.000	1	112.8911	6.841	8	112.8226	6.970	11	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:3:	4:4:1:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]O[5]O)	C[5](C[5]C[6a]2C[5])(C[5]O[5]CH)(H)2	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]O[5]O){5|C<3>,5|H<1>}	C[5](C[5]C[6a]2C[5])(C[5]O[5]CH)(H)2{1|O<1>,4|C<3>}	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	113.4515	3.456	2	113.4515	11.941	2	112.8911	6.841	8	112.8226	6.970	11	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:3:	4:4:1:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]O[5]O)	C[5](C[5]C[6a]2C[5])(C[5]O[5]HH)(H)2	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]O[5]O){4|C<3>,6|H<1>}	C[5](C[5]C[6a]2C[5])(C[5]O[5]HH)(H)2{1|O<1>,4|C<3>}	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	113.0765	2.696	4	113.0765	7.270	4	112.8911	6.841	8	112.8226	6.970	11	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:3:	4:4:1:1:	4:3:3:	N[5]-3:C[6a]-3:C[5]-4:C-3:	C[5]-4:C[5]-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)(C[5]C[5]HH)(CNO)	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(H)2	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CNO){1|O<1>,4|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(H)2{1|O<1>,3|C<3>}	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	115.9400	0.000	1	115.9400	0.000	1	115.9400	0.000	1	112.8226	6.970	11	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:3:	4:4:3:1:	4:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-4:C[5]-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]C[5]2H)(C[5]N[5]O)	C[5](C[5]C[5,6a]C[6a]C[5])(C[5]C[5]HH)(C[5]O[5]O)(H)	C[6a](C[5]C[5,6a]C[5]2)(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]C[5]2H)(C[5]N[5]O){1|Br<1>,1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[5](C[5]C[5,6a]C[6a]C[5])(C[5]C[5]HH)(C[5]O[5]O)(H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]2)(C[6a]C[6a]Br)(N[6a]C[6a]){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	110.2540	0.000	1	110.2540	0.000	1	110.2540	0.000	1	110.2540	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:3:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-4:C[5]-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]C[5]2H)(C[5]N[5]O)	C[5](C[5]C[5,6a]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]O)(H)	C[6a](C[5]C[5,6a]C[5]2)(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]2H)(C[5]N[5]O){1|N<3>,1|O<1>,5|H<1>,6|C<3>}	C[5](C[5]C[5,6a]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]O)(H){1|N<3>,2|O<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	112.9770	0.000	1	112.9770	0.000	1	111.2440	6.007	2	111.9910	15.763	6	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:3:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-4:C[5]-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]C[5]2H)(C[5]O[5]O)	C[5](C[5]C[5,6a]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]O)(H)	C[6a](C[5]C[5,6a]C[5]2)(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]2H)(C[5]O[5]O){1|N<3>,1|O<1>,5|C<3>,5|H<1>}	C[5](C[5]C[5,6a]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]O)(H){1|O<2>,2|O<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5]2)(C[6a]C[6a]H)2{1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	109.5110	0.000	1	109.5110	0.000	1	111.2440	6.007	2	111.9910	15.763	6	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:3:	4:4:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:N[5]-3:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]C[5]HN)(N[5]C[5]H)	C[5](C[5]C[6a]2N[5])(C[5]C[6a]C[5]H)(NOO)(H)	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]HN)(N[5]C[5]H){6|C<3>,6|H<1>}	C[5](C[5]C[6a]2N[5])(C[5]C[6a]C[5]H)(NOO)(H){2|H<1>,7|C<3>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,4|H<1>}	112.3645	4.869	4	112.3645	23.712	4	112.3645	23.712	4	111.9910	15.763	6	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:3:	4:4:3:3:	4:3:3:	C[5,5a]-3:C[6a]-3:C[5]-4:C-3:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]CC)(COO)	C[5](C[5]C[5,5a]C[6a]C)(C[5]C[5,5a]HH)(COO)2	C[6a](C[5]C[5,5a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]CC)(COO){1|N<3>,4|C<3>,4|H<1>}	C[5](C[5]C[5,5a]C[6a]C)(C[5]C[5,5a]HH)(COO)2{1|N<3>,3|C<3>}	C[6a](C[5]C[5,5a]C[5]C)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	114.0460	0.000	1	114.0460	0.000	1	114.0460	0.000	1	114.0460	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:3:	4:4:4:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:O-3:	C[5]-4:C[5]-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]C[5]CH)(OAlNi)	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]HH)(CNiHH)(H)	C[6a](C[5]C[5,6a]C[5]O)(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]CH)(OAlNi){4|C<3>,5|H<1>}	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]HH)(CNiHH)(H){4|C<3>}	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	114.6800	0.000	1	114.6800	0.000	1	114.6800	0.000	1	114.6800	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:3:	4:4:4:2:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:C-3:	C[5]-4:C[5]-4:C-4:O-2:	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]CO)(COO)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]HH)(CH3)(OH)	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]CO)(COO){1|O<2>,4|C<3>,4|H<1>}	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]HH)(CH3)(OH){4|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	111.1260	0.000	1	111.1260	0.000	1	111.1260	0.000	1	111.1260	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:4:	4:2:1:1:	4:3:3:	N[5,6]-3:C[6a]-3:C[5]-4:C-4:	C[5]-4:O[5]-2: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[5](C[5]N[5,6]C[6a]C)(O[5]C[5,6])(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[5](C[5]N[5,6]C[6a]C)(O[5]C[5,6])(H)2{1|S<4>,4|C<3>}	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>}	110.2750	0.000	1	110.2750	0.000	1	110.2750	0.000	1	110.8810	0.734	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:4:	4:2:1:1:	4:3:3:	N[5]-3:C[6a]-3:C[5]-4:C-4:	C[5]-4:N[5]-2: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[5](C[5]C[6a]N[5]C)(N[5]N[5])(H)2	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[5](C[5]C[6a]N[5]C)(N[5]N[5])(H)2{3|C<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>}	111.4870	0.000	1	111.4870	0.000	1	111.4870	0.000	1	110.8810	0.734	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:4:	4:3:1:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]C[5]HO)	C[5](C[5]C[6a]2C[5])(C[5]C[5]H)(H)2	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]C[5]HO){5|C<3>,5|H<1>}	C[5](C[5]C[6a]2C[5])(C[5]C[5]H)(H)2{1|H<1>,1|O<2>,5|C<3>}	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|O<2>,5|C<3>,5|H<1>}	111.8055	6.864	2	111.8055	47.113	2	111.8055	47.113	2	111.8867	7.463	12	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:4:	4:3:1:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]N[5]HH)	C[5](C[5]C[6a]2C[5])(N[5]C[5]C)(H)2	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]N[5]HH){1|C<4>,5|C<3>,5|H<1>}	C[5](C[5]C[6a]2C[5])(N[5]C[5]C)(H)2{1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,6|H<1>}	112.0330	1.968	4	111.9120	3.310	6	111.9029	3.885	10	111.8867	7.463	12	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:4:	4:3:1:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]N[5]HH)	C[5](C[5]C[6a]2C[5])(N[5]C[5]C)(H)2	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]N[5]HH){2|C<4>,4|C<3>,5|H<1>}	C[5](C[5]C[6a]2C[5])(N[5]C[5]C)(H)2{1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,6|H<1>}	111.6700	2.181	2	111.9120	3.310	6	111.9029	3.885	10	111.8867	7.463	12	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:4:	4:3:1:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]N[5]HH)	C[5](C[5]C[6a]2C[5])(N[5]C[5]S)(H)2	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]N[5]HH){1|C<4>,1|S<4>,4|C<3>,5|H<1>}	C[5](C[5]C[6a]2C[5])(N[5]C[5]S)(H)2{1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,6|H<1>}	111.8893	2.477	4	111.8893	6.138	4	111.9029	3.885	10	111.8867	7.463	12	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:4:	4:3:2:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]C[5]HO)	C[5](C[5]C[6a]2C[5])(C[5]C[5]C)(OC)(H)	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]C[5]HO){5|C<3>,5|H<1>}	C[5](C[5]C[6a]2C[5])(C[5]C[5]C)(OC)(H){3|H<1>,4|C<3>}	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|O<2>,5|C<3>,5|H<1>}	111.2610	1.076	2	111.2610	1.158	2	111.2610	1.158	2	111.2610	1.158	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:4:	4:3:4:1:	3:3:4:	C[5]-3:C[6a]-3:C[5]-4:C-4:	C[5]-4:C[5]-3:C-4: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[5](C[5]C[6a]C[5]C)(C[5]C[5]O)(CH3)(H)	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[5](C[5]C[6a]C[5]C)(C[5]C[5]O)(CH3)(H){1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<4>,3|H<1>,4|C<3>}	111.3090	0.000	1	111.3090	0.000	1	111.3090	0.000	1	111.3090	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4: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]C[5]HH)(CF3)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C[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]C[5]HH)(CF3){1|C<4>,3|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C[6a]H)(H)2{6|C<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>}	110.8815	0.264	2	111.6624	0.529	23	111.5526	0.794	29	111.9079	2.549	52	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4: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]C[5]HH)(CF3)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C[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]C[5]HH)(CF3){4|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C[6a]H)(H)2{6|C<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>}	111.5220	0.342	3	111.6624	0.529	23	111.5526	0.794	29	111.9079	2.549	52	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4: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]C[5]HH)(CF3)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C[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]C[5]HH)(CF3){4|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C[6a]H)(H)2{6|C<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>}	111.8894	0.757	14	111.6624	0.529	23	111.5526	0.794	29	111.9079	2.549	52	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4: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]C[5]HH)(CF3)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C[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]C[5]HH)(CF3){4|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C[6a]H)(H)2{6|C<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>}	111.4830	0.000	1	111.6624	0.529	23	111.5526	0.794	29	111.9079	2.549	52	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4: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]C[5]HH)(CF3)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C[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]C[5]HH)(CF3){4|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C[6a]H)(H)2{6|C<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>}	111.3240	0.865	3	111.6624	0.529	23	111.5526	0.794	29	111.9079	2.549	52	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4: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]C[5]HH)(CH3)	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C[6a]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]C[5]HH)(CH3){3|H<1>,6|C<3>}	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C[6a]C)(H)2{8|C<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>}	108.7660	0.000	1	108.7660	0.000	1	111.5526	0.794	29	111.9079	2.549	52	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4: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]C[5]HH)(CH3)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]CC)(H)2	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[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]CC)(H)2{4|C<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>}	110.2620	0.000	1	110.2620	0.000	1	111.5526	0.794	29	111.9079	2.549	52	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4: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]C[5]HH)(CH3)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]CC)(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]HH)(CH3){2|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]CC)(H)2{4|C<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>}	111.9402	0.314	4	111.9402	0.099	4	111.5526	0.794	29	111.9079	2.549	52	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]C[5]HN)	C[5](C[5]C[6a]2C[5])(C[5]C[5]HH)(H)2	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]C[5]HN){1|C<4>,4|C<3>,7|H<1>}	C[5](C[5]C[6a]2C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,5|H<1>}	112.7350	1.209	2	112.7350	1.462	2	112.1946	3.498	18	111.9079	2.549	52	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]N[5]HH)	C[5](C[5]C[6a]2C[5])(C[5]N[5]CC)(H)2	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]N[5]HH){1|Ir<8>,2|C<4>,4|C<3>,5|H<1>}	C[5](C[5]C[6a]2C[5])(C[5]N[5]CC)(H)2{1|Ir<8>,3|H<1>,4|C<3>}	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|C<4>,1|N<4>,3|C<3>,6|H<1>}	112.4370	0.923	2	112.4370	0.853	2	112.1946	3.498	18	111.9079	2.549	52	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]N[5]HH)	C[5](C[5]C[6a]2C[5])(C[5]N[5]CH)(H)2	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]N[5]HH){1|C<4>,1|S<4>,4|C<3>,5|H<1>}	C[5](C[5]C[6a]2C[5])(C[5]N[5]CH)(H)2{1|S<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,6|H<1>}	111.5523	2.930	4	112.0219	5.072	10	112.1946	3.498	18	111.9079	2.549	52	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]N[5]HH)	C[5](C[5]C[6a]2C[5])(C[5]N[5]CH)(H)2	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]N[5]HH){1|C<4>,5|C<3>,5|H<1>}	C[5](C[5]C[6a]2C[5])(C[5]N[5]CH)(H)2{2|H<1>,5|C<3>}	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,6|H<1>}	112.1665	2.233	4	112.0219	5.072	10	112.1946	3.498	18	111.9079	2.549	52	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]N[5]HH)	C[5](C[5]C[6a]2C[5])(C[5]N[5]CH)(H)2	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]N[5]HH){2|C<4>,4|C<3>,5|H<1>}	C[5](C[5]C[6a]2C[5])(C[5]N[5]CH)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,6|H<1>}	112.6720	1.769	2	112.0219	5.072	10	112.1946	3.498	18	111.9079	2.549	52	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)2	C[5](C[5]C[6a]2C[5])(C[5]C[5]CH)(H)2	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)2{1|N<4>,5|C<3>,6|H<1>}	C[5](C[5]C[6a]2C[5])(C[5]C[5]CH)(H)2{1|N<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,6|H<1>}	112.3760	2.612	2	112.3760	6.823	2	112.1946	3.498	18	111.9079	2.549	52	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)2	C[5](C[5]C[6a]2C[5])(C[5]C[5]HN)(H)2	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)2{1|N<4>,5|C<3>,6|H<1>}	C[5](C[5]C[6a]2C[5])(C[5]C[5]HN)(H)2{3|H<1>,5|C<3>}	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,6|H<1>}	112.0935	1.896	2	112.0935	3.594	2	112.1946	3.498	18	111.9079	2.549	52	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]N[5]HH)	C[5](C[5]C[6a]2C[5])(N[5]C[5]IrH)(H)2	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]N[5]HH){1|Ir<8>,2|C<4>,4|C<3>,5|H<1>}	C[5](C[5]C[6a]2C[5])(N[5]C[5]IrH)(H)2{2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|C<4>,1|N<4>,3|C<3>,6|H<1>}	112.6285	2.338	2	112.6285	5.468	2	112.6285	5.468	2	111.9079	2.549	52	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:4:	4:4:1:1:	4:3:3:	N[3,5]-3:C[6a]-3:C[5]-4:C-4:	C[5]-4:C[5]-4: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[5](C[5]N[3,5]C[6a]C)(C[5]C[3,5]FF)(F)2	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[5](C[5]N[3,5]C[6a]C)(C[5]C[3,5]FF)(F)2{1|C<4>,1|F<1>,2|C<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>}	117.7520	0.000	1	117.7520	0.000	1	117.7520	0.000	1	111.9079	2.549	52	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:4:	4:4:1:1:	4:3:3:	N[5,5]-3:C[6a]-3:C[5]-4:C-4:	C[5]-4:C[5]-4: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[5](C[5]N[5,5]C[6a]C)(C[5]N[5,5]C[6a]H)(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[5](C[5]N[5,5]C[6a]C)(C[5]N[5,5]C[6a]H)(H)2{1|C<4>,5|C<3>}	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>}	110.5380	0.000	1	110.5380	0.000	1	110.8385	0.181	2	111.9079	2.549	52	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:4:	4:4:1:1:	4:3:3:	N[5,5]-3:C[6a]-3:C[5]-4:C-4:	C[5]-4:C[5]-4: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[5](C[5]N[5,5]C[6a]C)(C[5]N[5,5]C[6a]H)(H)2	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[5](C[5]N[5,5]C[6a]C)(C[5]N[5,5]C[6a]H)(H)2{1|C<4>,5|C<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>}	111.1390	0.000	1	111.1390	0.000	1	110.8385	0.181	2	111.9079	2.549	52	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:3:4:4:	4:4:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]C[5]HN)	C[5](C[5]C[6a]2C[5])(C[5]C[5]CH)(NHS)(H)	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]C[5]HN){1|C<4>,4|C<3>,7|H<1>}	C[5](C[5]C[6a]2C[5])(C[5]C[5]CH)(NHS)(H){4|C<3>,4|H<1>}	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,5|H<1>}	112.0025	4.222	2	112.0025	17.826	2	112.0025	17.826	2	112.0025	17.826	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	3:4:3:1:	4:3:2:	C[6a]-3:C[5]-4:N[5]-2:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:N[6a]-2:	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(N[5]C[5])(H)	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(N[5]C[5])(H){1|H<1>,1|N<2>,5|C<3>}	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(N[5]C[5]C)(H){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,3|C<3>,3|H<1>}	114.1200	0.000	1	114.1200	0.000	1	114.1200	0.000	1	114.1200	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:2:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-2:H-1:	C[5]-4:O[5]-2: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])(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5])(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|C<4>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	114.0905	0.609	2	114.0905	0.371	2	113.8447	1.208	21	114.1280	1.976	32	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:2:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-2:H-1:	C[5]-4:O[5]-2: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])(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5])(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|C<4>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,4|H<1>}	112.9120	0.571	2	113.8188	1.314	19	113.8447	1.208	21	114.1280	1.976	32	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:2:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-2:H-1:	C[5]-4:O[5]-2: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])(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5])(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,4|H<1>}	113.9255	1.159	17	113.8188	1.314	19	113.8447	1.208	21	114.1280	1.976	32	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:2:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-2:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(N[5]C[5])(H)	C[5](C[5]C[6a]N[5]H)(S[5]C[5])(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(N[5]C[5])(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(S[5]C[5])(H)2{3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|S<2>,2|C<3>,4|H<1>}	113.0640	0.000	1	113.0640	0.000	1	113.0640	0.000	1	114.1280	1.976	32	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:2:1:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:N[5]-2: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])(H)	C[5](C[5]C[6a]O[5]H)(N[5]C[5])(H)2	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(H){1|Cl<1>,1|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]H)(N[5]C[5])(H)2{3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	114.4930	0.000	1	114.4930	0.000	1	114.4930	0.000	1	114.1280	1.976	32	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:2:1:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2: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)(O[5]B[5])(H)	C[5](C[5]C[6a]O[5]H)(O[5]B[5])(H)2	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(O[5]B[5])(H){1|B<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]O[5]H)(O[5]B[5])(H)2{1|B<3>,2|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|B<3>,1|C<3>,1|O<2>,4|H<1>}	114.5805	0.322	4	114.5805	0.104	4	114.6458	0.099	5	114.1280	1.976	32	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:2:1:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2: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)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(H)2	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(H)2{1|O<1>,2|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,4|H<1>}	114.9070	0.000	1	114.9070	0.000	1	114.6458	0.099	5	114.1280	1.976	32	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:2:1:1:	4:3:3:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(S[5]C[5])(H)	C[5](C[5]C[6a]S[5]H)(S[5]C[5])(H)2	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(S[5]C[5])(H){1|Cl<1>,1|H<1>,3|C<3>}	C[5](C[5]C[6a]S[5]H)(S[5]C[5])(H)2{3|C<3>}	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|S<2>,2|C<3>,4|H<1>}	116.3710	0.013	2	116.3710	0.000	2	114.4397	11.190	3	114.1280	1.976	32	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:2:1:1:	4:3:3:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(S[5]C[5])(H)	C[5](C[5]C[6a]S[5]H)(S[5]C[5])(H)2	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(S[5]C[5])(H){1|S<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]S[5]H)(S[5]C[5])(H)2{1|S<1>,2|C<3>}	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2{1|S<2>,2|C<3>,4|H<1>}	110.5770	0.000	1	110.5770	0.000	1	114.4397	11.190	3	114.1280	1.976	32	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:2:1:1:	4:3:3:	C[6a]-3:C[5]-4:Se[5]-2:H-1:	C[5]-4:O[5]-2: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)(Se[5]C[5])(H)	C[5](C[5]C[6a]Se[5]H)(O[5]C[5])(H)2	C[6a](C[5]Se[5]C[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(Se[5]C[5])(H){1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]Se[5]H)(O[5]C[5])(H)2{1|N<2>,2|C<3>}	C[6a](C[5]Se[5]C[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,4|H<1>}	117.2510	0.000	1	117.2510	0.000	1	117.2510	0.000	1	114.1280	1.976	32	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:2:2:2:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-2:C-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(CN)2	C[6a](C[5]C[5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H){3|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(CN)2{1|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,2|C<2>,2|O<2>}	117.4903	1.903	4	117.4903	3.621	4	117.6890	2.913	5	117.6890	2.913	5	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:2:2:2:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-2:C-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(CN)2	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H){3|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(CN)2{1|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|C<2>,3|O<2>}	118.4840	0.000	1	118.4840	0.000	1	117.6890	2.913	5	117.6890	2.913	5	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:2:3:3:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(CCO)2	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H){3|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(CCO)2{1|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	116.4810	0.000	1	116.4810	0.000	1	117.0330	0.316	3	117.0330	0.316	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:2:3:3:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(CC[6a]O)2	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H){3|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(CC[6a]O)2{1|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	117.3090	0.419	2	117.3090	0.175	2	117.0330	0.316	3	117.0330	0.316	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:2:3:4:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:N[5]-2:C-3:C-4:	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])(H)	C[5](C[5]C[6a]O[5]H)(N[5]C[5])(CN[5]O)(CH3)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]O[5]H)(N[5]C[5])(CN[5]O)(CH3){1|O<1>,2|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	115.6000	0.000	1	115.6000	0.000	1	115.6000	0.000	1	115.6000	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:2:4:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:N[5]-2:C-4:H-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])(H)	C[5](C[5]C[6a]O[5]H)(N[5]C[5])(CF3)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]O[5]H)(N[5]C[5])(CF3)(H){1|C<4>,2|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	114.2660	0.000	1	114.2660	0.000	1	115.4303	1.315	3	115.5310	0.780	5	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:2:4:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:N[5]-2:C-4:H-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])(H)	C[5](C[5]C[6a]O[5]H)(N[5]C[5])(CH3)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){1|S<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]O[5]H)(N[5]C[5])(CH3)(H){1|S<1>,2|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	115.4660	0.000	1	115.4660	0.000	1	115.4303	1.315	3	115.5310	0.780	5	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:2:4:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:N[5]-2:C-4:H-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])(H)	C[5](C[5]C[6a]O[5]H)(N[5]C[5])(CHHO)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]H)(N[5]C[5])(CHHO)(H){3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	116.5590	0.000	1	116.5590	0.000	1	115.4303	1.315	3	115.5310	0.780	5	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:2:4:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(CCHH)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(CCHH)(H){1|O<1>,2|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	116.1370	0.000	1	116.1370	0.000	1	115.6820	0.414	2	115.5310	0.780	5	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:2:4:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(CC[5]FF)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(O[5]C[5])(H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(CC[5]FF)(H){2|C<3>,2|C<4>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	115.2270	0.000	1	115.2270	0.000	1	115.6820	0.414	2	115.5310	0.780	5	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:2:4:3:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(CH3)(COO)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H){3|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(CH3)(COO){1|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	117.0630	0.000	1	117.0630	0.000	1	115.8580	2.904	2	118.9050	29.305	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:2:4:3:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]P[5])(H)	C[5](C[5]C[6a]O[5]H)(O[5]P[5])(CH3)(CCO)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]P[5])(H){2|C<3>,2|H<1>,3|O<2>}	C[5](C[5]C[6a]O[5]H)(O[5]P[5])(CH3)(CCO){2|C<3>,3|O<2>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,1|P<5>,2|C<3>,2|H<1>}	114.6530	0.000	1	114.6530	0.000	1	115.8580	2.904	2	118.9050	29.305	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:2:4:3:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:N-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]O[5]CN)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(CC3)(NCC)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]CN)(O[5]C[5])(H){3|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(CC3)(NCC){1|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	124.9990	0.000	1	124.9990	0.000	1	124.9990	0.000	1	118.9050	29.305	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:3:1:1:	3:4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(O[5]N[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]N[5]C)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(O[5]N[5])(H){1|H<1>,4|C<3>}	C[5](C[5]C[6a]O[5]H)(C[5]N[5]C)(H)2{2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(C[6a]C[6a]H){1|N<2>,4|C<3>,4|H<1>}	115.1520	0.000	1	115.1520	0.000	1	115.1520	0.000	1	113.9370	2.952	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:3:1:1:	3:4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]H)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){3|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]H)(H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(C[6a]C[6a]H){1|N<2>,3|H<1>,5|C<3>}	112.7220	0.000	1	112.7220	0.000	1	112.7220	0.000	1	113.9370	2.952	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:3:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-2:H-1:	C[5]-4:N[5]-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]HH)(N[5]C[5])(H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]S)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5])(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	112.4130	0.000	1	113.1955	1.225	2	113.1955	1.225	2	115.1097	4.315	32	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:3:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-2:H-1:	C[5]-4:N[5]-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]HH)(N[5]C[5])(H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]S)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5])(H){1|S<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[5]S)(H)2{3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	113.9780	0.000	1	113.1955	1.225	2	113.1955	1.225	2	115.1097	4.315	32	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:3:1:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-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])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(H)2	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(H)2{1|O<1>,2|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	114.0970	0.000	1	116.2607	4.924	3	116.7177	4.979	11	115.1097	4.315	32	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:3:1:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-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])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(H)2	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){2|H<1>,4|C<3>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(H)2{3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	118.5310	0.000	1	116.2607	4.924	3	116.7177	4.979	11	115.1097	4.315	32	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:3:1:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-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])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(H)2	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){3|H<1>,4|C<3>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(H)2{1|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	116.1540	0.000	1	116.2607	4.924	3	116.7177	4.979	11	115.1097	4.315	32	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:3:1:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-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])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]S)(H)2	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|S<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]S)(H)2{3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	115.5350	0.000	1	115.5350	0.000	1	116.7177	4.979	11	115.1097	4.315	32	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:3:1:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-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]N[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[6a]N[5])(H)2	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]H)(C[5]C[6a]N[5])(H)2{4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<2>,1|O<2>,2|C<3>,3|H<1>}	114.5610	0.000	1	118.0294	4.280	5	116.7177	4.979	11	115.1097	4.315	32	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:3:1:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-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]N[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[6a]N[5])(H)2	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]H)(C[5]C[6a]N[5])(H)2{4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<2>,2|C<3>,4|H<1>}	118.8965	0.833	4	118.0294	4.280	5	116.7177	4.979	11	115.1097	4.315	32	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:3:1:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-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]N[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]N[5]C)(H)2	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]N[5]C)(H)2{2|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<2>,2|C<3>,4|H<1>}	113.2710	0.000	1	114.7155	4.173	2	116.7177	4.979	11	115.1097	4.315	32	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:3:1:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-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]N[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]N[5]C)(H)2	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]H)(C[5]N[5]C)(H)2{1|O<1>,2|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	116.1600	0.000	1	114.7155	4.173	2	116.7177	4.979	11	115.1097	4.315	32	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:3:1:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:N[5]-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]HH)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(H)2	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(H)2{2|C<3>,2|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	115.3740	0.513	2	114.5210	2.315	3	115.0565	1.657	6	115.1097	4.315	32	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:3:1:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:N[5]-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]HH)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(H)2	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	112.8150	0.000	1	114.5210	2.315	3	115.0565	1.657	6	115.1097	4.315	32	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:3:1:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:N[5]-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]HH)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(N[5]C[5]Re)(H)2	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(H){1|Re<6>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]H)(N[5]C[5]Re)(H)2{3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	116.6390	0.000	1	116.6390	0.000	1	115.0565	1.657	6	115.1097	4.315	32	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:3:1:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:N[5]-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]HH)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(N[5]C[5]S)(H)2	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(N[5]C[5]S)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	114.6880	0.000	1	115.0685	0.290	2	115.0565	1.657	6	115.1097	4.315	32	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:3:1:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:N[5]-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]HH)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(N[5]C[5]S)(H)2	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(H){1|S<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(N[5]C[5]S)(H)2{1|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	115.4490	0.000	1	115.0685	0.290	2	115.0565	1.657	6	115.1097	4.315	32	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:3:1:1:	4:3:3:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:C[5]-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)(S[5]C[5])(H)	C[5](C[5]C[6a]S[5]H)(C[5]C[5]C)(H)2	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5])(H){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]S[5]H)(C[5]C[5]C)(H)2{1|N<3>,2|C<3>}	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2{1|Cl<1>,3|C<3>,3|H<1>}	111.9970	0.000	1	112.4380	1.072	3	112.4380	1.072	3	115.1097	4.315	32	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:3:1:1:	4:3:3:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:C[5]-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)(S[5]C[5])(H)	C[5](C[5]C[6a]S[5]H)(C[5]C[5]C)(H)2	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5])(H){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]S[5]H)(C[5]C[5]C)(H)2{1|N<3>,2|C<3>}	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	112.6585	1.361	2	112.4380	1.072	3	112.4380	1.072	3	115.1097	4.315	32	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:3:1:1:	4:3:3:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:N[5]-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]HH)(S[5]C[5])(H)	C[5](C[5]C[6a]S[5]H)(N[5]C[5]C)(H)2	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(S[5]C[5])(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]S[5]H)(N[5]C[5]C)(H)2{1|N<2>,2|C<3>}	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	114.0070	1.043	4	114.0070	1.089	4	114.5571	1.342	10	115.1097	4.315	32	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:3:1:1:	4:3:3:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:N[5]-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]HH)(S[5]C[5])(H)	C[5](C[5]C[6a]S[5]H)(N[5]C[5]H)(H)2	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(S[5]C[5])(H){1|S<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]S[5]H)(N[5]C[5]H)(H)2{1|S<1>,2|C<3>}	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	115.0090	0.000	1	115.0090	0.000	1	114.5571	1.342	10	115.1097	4.315	32	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:3:1:1:	4:3:3:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:N[5]-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]HH)(S[5]C[5])(H)	C[5](C[5]C[6a]S[5]H)(N[5]C[5]N)(H)2	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(S[5]C[5])(H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]S[5]H)(N[5]C[5]N)(H)2{1|N<3>,2|C<3>}	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	115.7050	0.859	3	115.3345	1.041	4	114.5571	1.342	10	115.1097	4.315	32	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:3:1:1:	4:3:3:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:N[5]-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]HH)(S[5]C[5])(H)	C[5](C[5]C[6a]S[5]H)(N[5]C[5]N)(H)2	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(S[5]C[5])(H){2|C<3>,2|H<1>,2|N<3>}	C[5](C[5]C[6a]S[5]H)(N[5]C[5]N)(H)2{1|N<3>,2|C<3>}	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	114.2230	0.000	1	115.3345	1.041	4	114.5571	1.342	10	115.1097	4.315	32	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:3:1:1:	4:3:3:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:N[5]-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]HH)(S[5]C[5])(H)	C[5](C[5]C[6a]S[5]H)(N[5]C[5]S)(H)2	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(S[5]C[5])(H){1|N<2>,1|S<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]S[5]H)(N[5]C[5]S)(H)2{1|N<2>,2|C<3>}	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	113.1960	0.000	1	113.1960	0.000	1	114.5571	1.342	10	115.1097	4.315	32	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:3:2:4:	4:3:2:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:N[5]-2:C-4:	C[5]-4:C[6a]-3:N[6a]-2:	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]C)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5])(CF3)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]C)(O[5]C[5])(H){2|H<1>,4|C<3>}	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[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	121.1640	0.000	1	121.1640	0.000	1	121.1640	0.000	1	121.1640	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:3:3:1:	3:4:2:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5a,6a]-3:C[5]-4:N[6a]-2:	C[5](C[6a]C[5a,6a]N[6a])(C[5]C[6a]C[5]H)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]C[5]O[5]H)(N[6a]C[6a])	C[5](C[6a]C[5a,6a]N[6a])(C[5]C[6a]C[5]H)(O[5]C[5])(H){1|N<3>,1|O<1>,5|C<3>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]C[5]O[5]H)(N[6a]C[6a]){2|H<1>,7|C<3>}	115.5980	0.000	1	115.5980	0.000	1	115.5980	0.000	1	115.5980	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:3:3:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-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]CH)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(CN[5]O)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(CN[5]O)(H){1|C<4>,2|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	114.5610	0.000	1	114.5610	0.000	1	114.4705	0.016	2	115.5007	1.468	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:3:3:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-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]CH)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(COO)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(COO)(H){2|C<3>,2|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,2|O<2>,3|C<3>}	114.3800	0.000	1	114.3800	0.000	1	114.4705	0.016	2	115.5007	1.468	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:3:3:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:N[5]-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]CH)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(COO)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){1|S<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(COO)(H){1|S<1>,2|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	116.7980	0.000	1	116.7980	0.000	1	116.5310	0.143	2	115.5007	1.468	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:3:3:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:N[5]-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]CH)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(N[5]C[5]H)(COO)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){1|S<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(N[5]C[5]H)(COO)(H){1|S<1>,2|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	116.2640	0.000	1	116.2640	0.000	1	116.5310	0.143	2	115.5007	1.468	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:3:3:3:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:N[5]-3:C-3:C-3:	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])(H)	C[5](C[5]C[6a]O[5]H)(N[5]C[5]S)(COO)2	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(O[5]C[5])(H){1|S<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(N[5]C[5]S)(COO)2{1|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	119.5750	2.819	2	117.9927	11.483	3	117.9927	11.483	3	117.9927	11.483	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:3:3:3:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:N[5]-3:C-3:C-3:	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])(H)	C[5](C[5]C[6a]O[5]H)(N[5]C[5]S)(COO)2	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(O[5]C[5])(H){1|S<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(N[5]C[5]S)(COO)2{1|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|O<2>,3|C<3>}	114.8280	0.000	1	117.9927	11.483	3	117.9927	11.483	3	117.9927	11.483	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:3:4:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-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]CH)(O[5]N[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]N[5]C)(CCHH)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]N[5])(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]N[5]C)(CCHH)(H){1|O<1>,2|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>,2|N<3>}	116.7200	1.375	4	116.7200	1.889	4	116.7200	1.889	4	116.4177	1.849	56	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:3:4:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-3:S-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]O)(SC[6a]OO)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]O)(SC[6a]OO)(H){2|C<3>,2|C<4>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|C<3>,3|H<1>}	113.8695	1.545	2	113.8695	2.387	2	113.8695	2.387	2	116.4177	1.849	56	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:3:4:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:N[5]-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]CH)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(CH3)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(CH3)(H){1|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	116.1996	1.270	17	116.6326	1.776	30	116.5468	1.531	49	116.4177	1.849	56	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:3:4:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:N[5]-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]CH)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(CH3)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(CH3)(H){1|O<1>,2|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	117.1988	1.237	13	116.6326	1.776	30	116.5468	1.531	49	116.4177	1.849	56	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:3:4:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:N[5]-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]CH)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(N[5]C[5]H)(CH3)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){1|S<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(N[5]C[5]H)(CH3)(H){1|S<1>,2|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	117.1590	0.918	2	117.1590	0.842	2	116.5468	1.531	49	116.4177	1.849	56	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:3:4:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:N[5]-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]CH)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(N[5]C[5]Ru)(CH3)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){1|Ru<6>,1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]O[5]H)(N[5]C[5]Ru)(CH3)(H){1|C<4>,2|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	116.7860	0.000	1	116.7860	0.000	1	116.5468	1.531	49	116.4177	1.849	56	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:3:4:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:N[5]-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]CH)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(N[5]C[5]S)(CH3)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){1|O<1>,1|S<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]O[5]H)(N[5]C[5]S)(CH3)(H){1|O<1>,2|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	116.2825	1.408	2	116.2825	1.982	2	116.5468	1.531	49	116.4177	1.849	56	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:3:4:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:N[5]-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]CH)(O[5]P[5])(H)	C[5](C[5]C[6a]O[5]H)(N[5]P[5]C)(CH3)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]P[5])(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]O[5]H)(N[5]P[5]C)(CH3)(H){1|N<3>,1|O<1>,2|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|P<4>,3|H<1>}	115.5060	0.000	1	116.4693	1.044	12	116.5468	1.531	49	116.4177	1.849	56	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:3:4:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:N[5]-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]CH)(O[5]P[5])(H)	C[5](C[5]C[6a]O[5]H)(N[5]P[5]C)(CH3)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]P[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]O[5]H)(N[5]P[5]C)(CH3)(H){1|C<4>,1|O<1>,2|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|P<4>,3|H<1>}	116.5568	1.023	11	116.4693	1.044	12	116.5468	1.531	49	116.4177	1.849	56	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:3:4:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:N[5]-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]CH)(O[5]S[5])(H)	C[5](C[5]C[6a]O[5]H)(N[5]S[5]C)(CH3)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]S[5])(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]O[5]H)(N[5]S[5]C)(CH3)(H){1|O<1>,2|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|S<3>,3|H<1>}	114.0080	0.000	1	114.0080	0.000	1	116.5468	1.531	49	116.4177	1.849	56	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:3:4:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:N[5]-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]CH)(O[5]S[5])(H)	C[5](C[5]C[6a]O[5]H)(N[5]S[5]H)(CH3)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]S[5])(H){2|C<3>,2|O<1>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(N[5]S[5]H)(CH3)(H){2|C<3>,2|O<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|S<4>,3|H<1>}	116.5080	0.000	1	116.5080	0.000	1	116.5468	1.531	49	116.4177	1.849	56	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:3:4:1:	4:3:3:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:N[5]-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]CH)(S[5]C[5])(H)	C[5](C[5]C[6a]S[5]H)(N[5]C[5]C)(CH3)(H)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(S[5]C[5])(H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]S[5]H)(N[5]C[5]C)(CH3)(H){1|O<1>,2|C<3>}	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	113.9760	0.000	1	113.9760	0.000	1	113.9760	0.000	1	116.4177	1.849	56	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:3:4:2:	3:4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-3:C-4:C-2:	C[6a]-3:C[5]-4:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]N)(CCCH)(CN)	C[6a](C[6a]C[6a,6a]O)(C[5]C[5]O[5]H)(C[6a]O[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]N)(CCCH)(CN){3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[5]C[5]O[5]H)(C[6a]O[6a]H){1|C<2>,1|C<4>,4|C<3>}	113.9750	0.000	1	113.9750	0.000	1	113.9750	0.000	1	113.9750	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:1:1:	3:4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(C[6a]N[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|N<2>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(C[6a]N[6a]H){2|C<4>,2|H<1>,4|C<3>}	114.3200	0.000	1	114.3200	0.000	1	114.3200	0.000	1	114.3200	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:1:1:	4:2:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[6a]-2:C[6a]-3:	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(O[5]N[5])(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(H)2	C[6a](C[5]C[5]O[5]H)(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(O[5]N[5])(H){2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(H)2{1|N<2>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	112.7510	0.000	1	112.7510	0.000	1	112.7510	0.000	1	112.7510	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-2:H-1:	C[5]-4:C[5]-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])(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5])(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	114.5080	0.000	1	114.5080	0.000	1	114.5080	0.000	1	115.2281	2.170	41	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-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[3,5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[3,5]CC)(H)2	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[3,5])(H){2|H<1>,6|C<3>}	C[5](C[5]C[6a]O[5]H)(C[5]C[3,5]CC)(H)2{4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	112.5450	0.000	1	112.5450	0.000	1	115.3212	2.231	36	115.2281	2.170	41	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-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])(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(H)2	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(H)2{6|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	117.2050	0.000	1	117.2050	0.000	1	115.3212	2.231	36	115.2281	2.170	41	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-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])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]2H)(H)2	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]2H)(H)2{1|O<1>,5|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	114.2160	0.000	1	114.2160	0.000	1	115.3212	2.231	36	115.2281	2.170	41	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-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])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]BrH)(H)2	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|Br<1>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]BrH)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	115.1020	0.000	1	115.1020	0.000	1	115.3212	2.231	36	115.2281	2.170	41	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-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])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CC)(H)2	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CC)(H)2{1|O<1>,2|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	116.5060	0.000	1	116.5060	0.000	1	115.3212	2.231	36	115.2281	2.170	41	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-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])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(H)2	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(H)2{1|O<1>,2|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	116.0543	0.991	3	116.0110	0.692	6	115.3212	2.231	36	115.2281	2.170	41	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-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])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(H)2	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	116.1030	0.000	1	116.0110	0.692	6	115.3212	2.231	36	115.2281	2.170	41	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-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])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(H)2	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){4|C<3>,4|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(H)2{1|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	115.9000	1.206	2	116.0110	0.692	6	115.3212	2.231	36	115.2281	2.170	41	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-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])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CO)(H)2	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CO)(H)2{1|O<1>,2|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	116.6140	0.000	1	116.6140	0.000	1	115.3212	2.231	36	115.2281	2.170	41	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-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])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]FS)(H)2	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|F<1>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]FS)(H)2{1|O<1>,2|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	114.9690	0.000	1	114.9690	0.000	1	115.3212	2.231	36	115.2281	2.170	41	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-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])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(H)2	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	113.2990	0.000	1	113.2990	0.000	1	115.3212	2.231	36	115.2281	2.170	41	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-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])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(H)2	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	113.6780	0.000	1	113.6780	0.000	1	115.3212	2.231	36	115.2281	2.170	41	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-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])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HN)(H)2	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HN)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	116.9025	1.088	2	116.7907	0.630	3	115.3212	2.231	36	115.2281	2.170	41	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-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])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HN)(H)2	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HN)(H)2{1|O<1>,2|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	116.5670	0.000	1	116.7907	0.630	3	115.3212	2.231	36	115.2281	2.170	41	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-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])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(H)2	C[6a](C[5]C[5]O[5]H)(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])(H){1|C<4>,1|F<1>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<3>,1|I<1>,2|C<4>,3|H<1>}	113.7370	0.000	1	113.9535	0.094	2	115.3212	2.231	36	115.2281	2.170	41	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-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])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(H)2	C[6a](C[5]C[5]O[5]H)(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])(H){1|C<4>,1|F<1>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	114.1700	0.000	1	113.9535	0.094	2	115.3212	2.231	36	115.2281	2.170	41	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-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])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(H)2	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]F)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|F<1>,1|N<2>,1|O<2>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]F){1|C<3>,2|C<4>,3|H<1>}	115.3410	0.000	2	115.3410	0.000	2	115.3212	2.231	36	115.2281	2.170	41	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-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])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(H)2	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,2|C<4>,3|H<1>}	116.1120	2.227	4	116.1120	4.958	4	115.3212	2.231	36	115.2281	2.170	41	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-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])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(H)2	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	114.0980	0.000	1	114.0980	0.000	1	115.3212	2.231	36	115.2281	2.170	41	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-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])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(H)2	C[6a](C[5]C[5]O[5]H)(C[6a]N[6a]Cl)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]N[6a]Cl)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	114.4083	0.358	3	114.4083	0.128	3	115.3212	2.231	36	115.2281	2.170	41	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-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]N[5])(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(H)2	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(H)2{5|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	114.8090	0.000	1	114.8090	0.000	1	115.3212	2.231	36	115.2281	2.170	41	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-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]N[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[6]N[5]H)(H)2	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[6]N[5]H)(H)2{2|C<3>,4|C<4>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	115.1905	1.563	2	115.1905	2.444	2	115.3212	2.231	36	115.2281	2.170	41	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-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]N[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]N[5]CH)(H)2	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]N[5]CH)(H)2{1|S<4>,2|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	116.2155	2.526	2	116.2155	6.383	2	115.3212	2.231	36	115.2281	2.170	41	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-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]N[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]N[5]HH)(H)2	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]N[5]HH)(H)2{3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	113.0120	0.000	1	113.0120	0.000	1	115.3212	2.231	36	115.2281	2.170	41	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:C[5]-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)(S[5]C[5])(H)	C[5](C[5]C[6a]S[5]H)(C[5]C[5]CC)(H)2	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]C)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5])(H){1|N<2>,2|C<4>,4|C<3>}	C[5](C[5]C[6a]S[5]H)(C[5]C[5]CC)(H)2{1|N<2>,2|C<3>}	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]C)2{1|C<4>,2|C<3>,4|H<1>}	116.2220	0.000	1	116.2220	0.000	1	114.5697	2.047	4	115.2281	2.170	41	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:C[5]-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)(S[5]C[5])(H)	C[5](C[5]C[6a]S[5]H)(C[5]C[5]CC)(H)2	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5])(H){2|H<1>,5|C<3>}	C[5](C[5]C[6a]S[5]H)(C[5]C[5]CC)(H)2{3|C<3>}	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	113.3735	0.006	2	113.3735	0.000	2	114.5697	2.047	4	115.2281	2.170	41	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:C[5]-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)(S[5]C[5])(H)	C[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(H)2	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5])(H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	115.3100	0.000	1	115.3100	0.000	1	114.5697	2.047	4	115.2281	2.170	41	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:2:1:	3:4:2:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[6a,6a]-3:C[5]-4:N[6a]-2:	C[5](C[6a]C[6a,6a]N[6a])(C[5]C[5,5]HO)(O[5]C[5,5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]O[5]H)(OC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(N[6a]C[6a,6a])	C[5](C[6a]C[6a,6a]N[6a])(C[5]C[5,5]HO)(O[5]C[5,5])(H){2|H<1>,2|O<2>,3|C<3>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]O[5]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(N[6a]C[6a,6a]){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	115.4680	0.621	2	115.4680	0.385	2	115.4680	0.385	2	115.4680	0.385	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:2:1:	4:3:2:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[6a]-3:N[6a]-2:	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	115.1860	0.000	1	113.3220	2.062	4	113.3220	2.062	4	113.3220	2.062	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:2:1:	4:3:2:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[6a]-3:N[6a]-2:	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	112.7007	0.881	3	113.3220	2.062	4	113.3220	2.062	4	113.3220	2.062	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:2:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:N-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(NC)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(O[5]C[5])(H){1|F<1>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(NC)(H){3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<4>,1|F<1>,1|N<2>,2|C<3>,2|H<1>}	114.5480	0.000	1	114.5480	0.000	1	114.5480	0.000	1	114.8891	3.268	30	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:2:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(OC)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(OC)(H){1|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	117.1840	0.000	1	114.9385	10.085	2	114.7308	3.406	26	114.8891	3.268	30	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:2:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(OC)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	112.6930	0.000	1	114.9385	10.085	2	114.7308	3.406	26	114.8891	3.268	30	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:2:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(OH)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	114.5140	0.000	1	114.5140	0.000	1	114.7308	3.406	26	114.8891	3.268	30	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:2:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(OC)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	111.1900	0.000	1	112.1857	1.963	3	114.7308	3.406	26	114.8891	3.268	30	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:2:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(OC)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(OC)(H){1|O<1>,2|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	111.5790	0.000	1	112.1857	1.963	3	114.7308	3.406	26	114.8891	3.268	30	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:2:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(OC)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(OC)(H){2|C<3>,2|C<4>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	113.7880	0.000	1	112.1857	1.963	3	114.7308	3.406	26	114.8891	3.268	30	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:2:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(OH)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(OH)(H){1|O<1>,2|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	113.8210	0.000	1	113.8210	0.000	1	114.7308	3.406	26	114.8891	3.268	30	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:2:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HN)(OH)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HN)(OH)(H){1|O<1>,2|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	116.0035	0.180	2	116.0035	0.033	2	114.7308	3.406	26	114.8891	3.268	30	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:2:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OC)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	116.3310	0.000	1	116.3310	0.000	1	114.7308	3.406	26	114.8891	3.268	30	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:2:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OC)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	112.9660	0.000	1	112.9660	0.000	1	114.7308	3.406	26	114.8891	3.268	30	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:2:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|F<1>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<3>,1|F<1>,1|O<2>,2|C<4>,2|H<1>}	112.8220	0.000	1	113.4273	0.455	3	114.7308	3.406	26	114.8891	3.268	30	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:2:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|F<1>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	113.7300	0.601	2	113.4273	0.455	3	114.7308	3.406	26	114.8891	3.268	30	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:2:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]F)2	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,2|F<1>,2|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]F)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	116.9360	0.000	1	116.9360	0.000	1	114.7308	3.406	26	114.8891	3.268	30	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:2:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|F<1>,1|O<2>,2|C<4>,2|H<1>}	114.8310	0.000	1	114.5523	0.179	7	114.7308	3.406	26	114.8891	3.268	30	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:2:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	114.5058	0.443	6	114.5523	0.179	7	114.7308	3.406	26	114.8891	3.268	30	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:2:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HS)(OH)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|O<1>,1|S<2>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HS)(OH)(H){1|O<1>,2|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	116.9613	1.802	4	116.9613	3.246	4	114.7308	3.406	26	114.8891	3.268	30	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:2:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:S-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(SC)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(O[5]C[5])(H){1|O<1>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(SC)(H){1|O<1>,2|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|S<2>,2|C<3>,3|H<1>}	117.0330	0.000	1	117.0330	0.000	1	116.9820	0.005	2	114.8891	3.268	30	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:2:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:S-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(SC[6a])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(O[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(SC[6a])(H){1|O<1>,2|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|S<2>,2|C<3>,3|H<1>}	116.9310	0.000	1	116.9310	0.000	1	116.9820	0.005	2	114.8891	3.268	30	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:2:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:S-4:N[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]HS)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(SC[6a]OO)(N[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HS)(O[5]C[5])(H){1|S<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]O[5]H)(SC[6a]OO)(N[5]C[5])(H){1|S<2>,2|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<2>,1|S<4>,2|C<3>,3|H<1>}	115.1600	0.000	1	115.1600	0.000	1	115.1600	0.000	1	114.8891	3.268	30	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:2:3:	3:4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C-4:O[5]-2:C-3:	C[6a]-3:C[5]-4:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(CC[6a]HH)(O[5]C[5])(COO)	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]O[5]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H){3|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(CC[6a]HH)(O[5]C[5])(COO){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]O[5]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	118.0870	0.000	1	118.0870	0.000	1	118.0870	0.000	1	118.0870	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:2:3:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C-4:O[5]-2:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(CC[6a]HH)(O[5]C[5])(COO)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H){1|Cl<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]H)(CC[6a]HH)(O[5]C[5])(COO){1|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	117.1730	0.000	1	117.1730	0.000	1	117.1605	0.000	2	117.1605	0.000	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:2:3:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C-4:O[5]-2:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(CC[6a]HH)(O[5]C[5])(COO)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H){3|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(CC[6a]HH)(O[5]C[5])(COO){1|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	117.1480	0.000	1	117.1480	0.000	1	117.1605	0.000	2	117.1605	0.000	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:3:1:	3:4:3:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(S[5]C[5])(H)	C[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(CHO)(H)	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]S[5]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(S[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(CHO)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]S[5]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	116.1350	0.000	1	116.1350	0.000	1	116.1350	0.000	1	116.1350	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:3:1:	4:3:2:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[6a]-2:	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]C[5]H)(O[5]C[5])(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]C[5]H)(O[5]C[5])(H){1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,2|C<4>,4|C<3>}	118.3980	0.000	1	118.3980	0.000	1	118.3980	0.000	1	118.3980	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:3:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-2:H-1:	C[5]-4:C[5]-4:C-3: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])(H)	C[5](C[5]B[6a]C[5]H)(C[5]C[6a]N[5]H)(COO)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5])(H){1|B<3>,3|C<3>,4|H<1>}	C[5](C[5]B[6a]C[5]H)(C[5]C[6a]N[5]H)(COO)(H){1|H<1>,2|N<3>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	114.7860	0.000	1	114.7860	0.000	1	114.8590	0.043	3	115.6510	1.732	30	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:3:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-2:H-1:	C[5]-4:C[5]-4:C-3: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])(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CCO)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5])(H){3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CCO)(H){5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	114.6990	0.000	1	114.8955	0.077	2	114.8590	0.043	3	115.6510	1.732	30	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:3:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-2:H-1:	C[5]-4:C[5]-4:C-3: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])(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CCO)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5])(H){4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CCO)(H){1|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|H<1>,2|C<3>,2|C<4>,2|O<2>}	115.0920	0.000	1	114.8955	0.077	2	114.8590	0.043	3	115.6510	1.732	30	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:3:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-2:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5,5])(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]N[5]H)(NOO)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5,5])(H){3|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]N[5]H)(NOO)(H){6|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	118.8370	0.000	1	118.8370	0.000	1	118.8370	0.000	1	115.6510	1.732	30	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:3:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-3: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])(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(CCO)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(CCO)(H){6|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	117.3790	0.000	1	117.3790	0.000	1	115.9422	1.487	19	115.6510	1.732	30	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:3:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-3: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])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CC)(CC[6a]O)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){3|H<1>,5|C<3>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CC)(CC[6a]O)(H){1|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	115.8410	1.391	5	115.8410	1.934	5	115.9422	1.487	19	115.6510	1.732	30	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:3:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-3: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])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(COO)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(COO)(H){2|C<3>,2|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|H<1>,2|C<3>,2|C<4>,2|O<2>}	116.6560	1.175	2	115.8038	1.446	4	115.9422	1.487	19	115.6510	1.732	30	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:3:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-3: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])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(COO)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){4|C<3>,4|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(COO)(H){1|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	114.9515	0.230	2	115.8038	1.446	4	115.9422	1.487	19	115.6510	1.732	30	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:3:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-3: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])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CCO)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CCO)(H){1|C<4>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	117.5050	0.000	1	117.5050	0.000	1	115.9422	1.487	19	115.6510	1.732	30	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:3:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-3: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])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CC[5]O)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CC[5]O)(H){1|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	116.0040	0.000	1	116.0040	0.000	1	115.9422	1.487	19	115.6510	1.732	30	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:3:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-3: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])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CC[6a]O)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CC[6a]O)(H){1|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	116.0580	0.000	1	116.0580	0.000	1	115.9422	1.487	19	115.6510	1.732	30	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:3:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-3: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])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CN[5]O)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CN[5]O)(H){1|C<4>,1|O<2>,2|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	114.7290	0.000	1	114.7290	0.000	1	115.9422	1.487	19	115.6510	1.732	30	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:3:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-3: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])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]ReH)(CCO)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|Re<7>,1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]ReH)(CCO)(H){1|C<4>,2|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	113.2780	0.000	1	113.2780	0.000	1	115.9422	1.487	19	115.6510	1.732	30	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:3:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-3: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]N[5])(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(CC[5a]O)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]N[5])(H){3|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(CC[5a]O)(H){5|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	115.8570	0.000	1	115.8570	0.000	1	115.9422	1.487	19	115.6510	1.732	30	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:3:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-3: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]N[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]N[5]CH)(CC[6a]O)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]N[5])(H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]N[5]CH)(CC[6a]O)(H){3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	116.6095	0.552	2	116.5573	0.161	3	115.9422	1.487	19	115.6510	1.732	30	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:3:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-3: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]N[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]N[5]CH)(CC[6a]O)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]N[5])(H){3|H<1>,4|C<3>}	C[5](C[5]C[6a]O[5]H)(C[5]N[5]CH)(CC[6a]O)(H){3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	116.4530	0.000	1	116.5573	0.161	3	115.9422	1.487	19	115.6510	1.732	30	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:3:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(NHS)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(NHS)(H){1|O<1>,2|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	115.5550	0.000	1	115.5550	0.000	1	115.2927	0.297	3	115.6510	1.732	30	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:3:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(O[5]N[5])(H)	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]O[5]H)(NOO)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(O[5]N[5])(H){3|H<1>,4|C<3>}	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]O[5]H)(NOO)(H){5|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|N<3>,3|H<1>}	115.6570	0.000	1	115.6570	0.000	1	115.2927	0.297	3	115.6510	1.732	30	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:3:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(O[5]N[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]N[5]H)(NOO)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(O[5]N[5])(H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]N[5]H)(NOO)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|N<3>,3|H<1>}	114.6660	0.000	1	114.6660	0.000	1	115.2927	0.297	3	115.6510	1.732	30	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:3:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:S-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(SC[6a]O)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(O[5]C[5])(H){2|C<3>,6|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(SC[6a]O)(H){2|C<3>,2|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|S<3>,2|C<4>,3|H<1>}	115.1040	0.000	1	115.1040	0.000	1	115.1040	0.000	1	115.6510	1.732	30	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:3:1:	4:3:3:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:C[5]-4:C-3:H-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])(H)	C[5](C[5]C[6a]S[5]H)(C[5]C[5]CC)(CC[6a]O)(H)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(S[5]C[5])(H){1|N<2>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]S[5]H)(C[5]C[5]CC)(CC[6a]O)(H){1|N<2>,2|C<3>}	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	113.3540	0.000	1	113.3540	0.000	1	114.0777	0.515	3	115.6510	1.732	30	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:3:1:	4:3:3:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:C[5]-4:C-3:H-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])(H)	C[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(CHO)(H)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(S[5]C[5])(H){3|H<1>,4|C<3>}	C[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(CHO)(H){3|C<3>}	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	114.0900	0.000	1	114.0900	0.000	1	114.0777	0.515	3	115.6510	1.732	30	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:3:1:	4:3:3:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:C[5]-4:C-3:H-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])(H)	C[5](C[5]C[6a]S[5]H)(C[5]C[5]HO)(CC[6a]O)(H)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(S[5]C[5])(H){1|O<2>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]S[5]H)(C[5]C[5]HO)(CC[6a]O)(H){2|C<3>,2|H<1>}	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2{1|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	114.7890	0.000	1	114.7890	0.000	1	114.0777	0.515	3	115.6510	1.732	30	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:3:2:	4:3:3:	C[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:C[5]-4:C-3:C-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(S[5]C[5])(H)	C[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(CC[6a]O)(CN)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(S[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(CC[6a]O)(CN){2|C<3>,2|H<1>}	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2{1|C<2>,2|C<3>,2|C<4>,2|H<1>}	115.9210	0.000	1	115.9210	0.000	1	115.9210	0.000	1	115.9210	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:3:3:	3:4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[6a]-3:C[5]-4:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(COO)2	C[6a](C[6a]C[6a]C[5])(C[5]C[5]O[5]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H){4|C<3>,4|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(COO)2{1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[5]C[5]O[5]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	116.3390	0.000	1	116.3390	0.000	1	116.3390	0.000	1	116.3390	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:3:3:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(COO)2	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H){1|Cl<1>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(COO)2{1|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	118.1390	2.776	2	118.1390	7.707	2	116.5444	2.676	8	116.5830	3.085	25	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:3:3:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(COO)2	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H){4|C<3>,4|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(COO)2{1|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	116.4400	0.963	3	116.4400	0.927	3	116.5444	2.676	8	116.5830	3.085	25	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:3:3:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(COO)2	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(COO)2{1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	114.8930	0.000	1	115.6800	1.239	2	116.5444	2.676	8	116.5830	3.085	25	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:3:3:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(COO)2	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H){4|C<3>,4|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(COO)2{1|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	116.4670	0.000	1	115.6800	1.239	2	116.5444	2.676	8	116.5830	3.085	25	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:3:3:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(COO)2	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(COO)2{1|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	115.3970	0.000	1	115.3970	0.000	1	116.5444	2.676	8	116.5830	3.085	25	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:3:3:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-3:N-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(COO)(NOO)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(O[5]C[5])(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(COO)(NOO){2|C<3>,2|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	116.0270	0.000	1	116.0270	0.000	1	116.6012	3.456	17	116.5830	3.085	25	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:3:3:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-3:N-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CNO)(NCH)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(O[5]C[5])(H){2|C<3>,6|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CNO)(NCH){2|C<3>,2|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	116.6371	1.914	16	116.6371	3.663	16	116.6012	3.456	17	116.5830	3.085	25	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:4:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4: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])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CCHH)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CCHH)(H){1|O<1>,2|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	115.9760	0.000	1	115.9760	0.000	1	115.9460	2.377	28	116.1524	2.670	37	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:4:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4: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])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CC[6a]CH)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CC[6a]CH)(H){1|O<1>,2|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	115.1260	0.044	2	115.1260	0.002	2	115.9460	2.377	28	116.1524	2.670	37	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:4:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4: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])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]2)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3)(H){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,2|O<2>,3|C<3>,3|C<4>}	116.4870	0.000	1	116.4870	0.000	1	115.9460	2.377	28	116.1524	2.670	37	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:4:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4: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])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3)(H){1|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	116.7575	2.340	4	116.7575	5.477	4	115.9460	2.377	28	116.1524	2.670	37	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:4:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4: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])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3)(H){1|O<1>,2|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|C<4>,2|O<2>,4|C<3>}	115.1905	1.053	2	115.0050	1.456	4	115.9460	2.377	28	116.1524	2.670	37	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:4:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4: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])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3)(H){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|O<2>,3|C<3>,3|C<4>}	114.8195	1.767	2	115.0050	1.456	4	115.9460	2.377	28	116.1524	2.670	37	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:4:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4: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])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|Br<1>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3)(H){1|O<1>,2|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	114.9827	1.497	3	114.9827	2.242	3	115.9460	2.377	28	116.1524	2.670	37	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:4:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4: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])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3)(H){1|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|H<1>,2|O<2>,3|C<4>}	116.4330	0.990	2	116.3817	1.123	4	115.9460	2.377	28	116.1524	2.670	37	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:4:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4: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])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3)(H){1|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	116.3305	1.542	2	116.3817	1.123	4	115.9460	2.377	28	116.1524	2.670	37	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:4:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4: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])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CCHH)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CCHH)(H){1|O<1>,2|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	115.0420	0.000	1	115.0420	0.000	1	115.9460	2.377	28	116.1524	2.670	37	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:4:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4: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])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CHHN)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CHHN)(H){2|C<3>,2|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	116.2330	0.000	1	116.2330	0.000	1	115.9460	2.377	28	116.1524	2.670	37	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:4:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4: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])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CHHO)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CHHO)(H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	115.1410	0.000	1	117.3123	3.536	3	115.9460	2.377	28	116.1524	2.670	37	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:4:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4: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])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CHHO)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){2|C<3>,6|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CHHO)(H){2|C<3>,2|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	118.3980	0.000	2	117.3123	3.536	3	115.9460	2.377	28	116.1524	2.670	37	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:4:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4: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])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CHOO)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CHOO)(H){1|O<1>,2|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	116.7850	0.000	1	116.7850	0.000	1	115.9460	2.377	28	116.1524	2.670	37	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:4:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4: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])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(CH3)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	116.1580	0.000	1	116.6155	0.419	2	115.9460	2.377	28	116.1524	2.670	37	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:4:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4: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])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(CH3)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|O<2>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(CH3)(H){1|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	117.0730	0.000	1	116.6155	0.419	2	115.9460	2.377	28	116.1524	2.670	37	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:4:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4: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]Si[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]Si[5]CH)(CH3)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]Si[5])(H){2|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]Si[5]CH)(CH3)(H){2|C<3>,2|C<4>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|Si<4>,1|C<3>,2|C<4>,3|H<1>}	113.0200	0.000	1	113.0200	0.000	1	115.9460	2.377	28	116.1524	2.670	37	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:4:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(O[5]C[5,6])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5,6]HH)(C[5]C[5]2H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(O[5]C[5,6])(H){3|C<3>,3|C<4>,5|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5,6]HH)(C[5]C[5]2H)(H){3|C<3>,3|C<4>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	116.7770	0.000	1	116.7770	0.000	1	117.2705	0.487	2	116.1524	2.670	37	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:4:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(O[5]C[5])(H)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[6a]O[5]H)(C[5]C[5]HH)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(O[5]C[5])(H){1|C<4>,3|C<3>,7|H<1>}	C[5](C[5]C[5,6a]C[5]H)(C[5]C[6a]O[5]H)(C[5]C[5]HH)(H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	117.7640	0.000	1	117.7640	0.000	1	117.2705	0.487	2	116.1524	2.670	37	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:4:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:P-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(PC[6a]2O)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(O[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(PC[6a]2O)(H){1|O<1>,2|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|P<4>,2|C<3>,3|H<1>}	116.5840	0.000	1	116.5840	0.000	1	116.5840	0.000	1	116.1524	2.670	37	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:4:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(SC[6a]OO)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(O[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(SC[6a]OO)(H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|S<4>,2|C<4>,2|H<1>}	118.3920	0.000	1	115.4467	7.701	3	115.4467	7.701	3	116.1524	2.670	37	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:4:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:S-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(SC[6a]OO)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(O[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(SC[6a]OO)(H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,3|H<1>}	113.9740	1.546	2	115.4467	7.701	3	115.4467	7.701	3	116.1524	2.670	37	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:4:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:N[5]-4:C-4:H-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])(H)	C[5](C[5]C[6a]O[5]H)(N[5]C[5]PdC)(CH3)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){1|Pd<4>,1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(N[5]C[5]PdC)(CH3)(H){1|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<4>,2|C<4>,3|H<1>}	117.6710	1.123	2	117.6710	1.261	2	117.6710	1.261	2	116.1524	2.670	37	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:4:1:	4:3:3:	C[6a]-3:C[5]-4:Se[5]-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(Se[5]P[5])(H)	C[5](C[5]C[6a]Se[5]H)(C[5]P[5]HN)(CH3)(H)	C[6a](C[5]Se[5]C[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(Se[5]P[5])(H){1|Se<1>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]Se[5]H)(C[5]P[5]HN)(CH3)(H){1|Se<1>,3|C<3>}	C[6a](C[5]Se[5]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|P<4>,2|C<4>,3|H<1>}	118.3440	0.000	1	118.3440	0.000	1	118.3440	0.000	1	116.1524	2.670	37	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:4:3:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:N-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3)(NCH)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(O[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3)(NCH){2|C<3>,2|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	117.1345	1.282	4	116.9576	1.390	5	116.9576	1.390	5	116.9576	1.390	5	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:4:3:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:N-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3)(NCH)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(O[5]C[5])(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3)(NCH){2|C<3>,2|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	116.2500	0.000	1	116.9576	1.390	5	116.9576	1.390	5	116.9576	1.390	5	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:1:	4:4:4:4:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]Si[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]Si[5]CH)(CH3)2	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]Si[5])(H){2|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]Si[5]CH)(CH3)2{2|C<3>,2|C<4>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|Si<4>,1|C<3>,2|H<1>,3|C<4>}	114.2340	0.000	1	114.2340	0.000	1	114.2340	0.000	1	114.2340	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:2:	4:2:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-2:O-2:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(N[5]C[5])(OH)	C[5](C[5]C[6a]N[5]O)(S[5]C[5])(H)2	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(N[5]C[5])(OH){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]O)(S[5]C[5])(H)2{1|C<4>,2|C<3>}	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2{1|S<2>,2|C<3>,4|H<1>}	111.5570	0.000	1	111.5570	0.000	1	111.5570	0.000	1	111.5570	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:2:	4:3:4:4:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:O-2:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]N[5])(OH)	C[5](C[5]C[6a]O[5]O)(C[5]C[6a]N[5])(CH3)2	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]N[5])(OH){2|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]O)(C[5]C[6a]N[5])(CH3)2{4|C<3>}	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	116.7820	0.000	1	116.7820	0.000	1	116.7820	0.000	1	116.7820	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:2:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:C-2:	C[5]-4:C[5]-4:F-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])(CC)	C[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(F)(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]FH)(O[5]C[5])(CC){2|C<3>,6|H<1>}	C[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(F)(H){2|C<3>,2|H<1>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<3>,1|F<1>,2|C<4>,3|H<1>}	112.2320	0.000	1	112.2320	0.000	1	112.2320	0.000	1	114.5112	7.252	5	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:2:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:C-2:	C[5]-4:C[5]-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)	C[5](C[5]C[6a]O[5]C)(C[5]C[5]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])(CC){2|C<3>,6|H<1>}	C[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	113.2170	0.000	1	113.2170	0.000	1	113.2170	0.000	1	114.5112	7.252	5	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:2:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:C-2:	C[5]-4:C[5]-4:H-1:I-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HI)(O[5]C[5])(CC)	C[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(H)(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]C[5]HI)(O[5]C[5])(CC){2|C<3>,6|H<1>}	C[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(H)(I){2|C<3>,2|H<1>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<3>,1|I<1>,2|C<4>,3|H<1>}	112.2620	0.000	1	112.2620	0.000	1	112.2620	0.000	1	114.5112	7.252	5	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:2:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:O-2:	C[5]-4:C[5]-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]O[5])(OO)	C[5](C[5]C[6a]O[5]O)(C[5]O[5]CC)(H)2	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]O[5])(OO){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]O[5]O)(C[5]O[5]CC)(H)2{2|C<3>}	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	117.4225	0.360	2	117.4225	0.130	2	117.4225	0.130	2	114.5112	7.252	5	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:2:	4:4:2:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:O-2:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(OC)	C[5](C[5]C[6a]O[5]O)(C[5]C[5]HO)(OSi)(H)	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(OC){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]O[5]O)(C[5]C[5]HO)(OSi)(H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)2{2|Br<1>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	112.3490	0.000	1	112.3490	0.000	1	113.4865	2.588	2	113.4865	2.588	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:2:	4:4:2:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:O-2:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(OSi)	C[5](C[5]C[6a]O[5]O)(C[5]C[5]HO)(OH)(H)	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(OSi){1|C<3>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	C[5](C[5]C[6a]O[5]O)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	114.6240	0.000	1	114.6240	0.000	1	113.4865	2.588	2	113.4865	2.588	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:2:	4:4:4:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:O-2:	C[5]-4:C[5]-4:P-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(O[5]C[5])(OSi)	C[5](C[5]C[6a]O[5]O)(C[5]C[5]CH)(PC[6a]2O)(H)	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(O[5]C[5])(OSi){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[6a]O[5]O)(C[5]C[5]CH)(PC[6a]2O)(H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)2{1|C<3>,1|P<4>,2|C<4>,3|H<1>}	112.6280	0.000	1	112.6280	0.000	1	112.5755	0.006	2	112.5755	0.006	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:2:	4:4:4:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:O-2:	C[5]-4:C[5]-4:P-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(O[5]C[5])(OSi)	C[5](C[5]C[6a]O[5]O)(C[5]C[5]HH)(PC[6a]2S)(H)	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(O[5]C[5])(OSi){2|C<3>,6|H<1>}	C[5](C[5]C[6a]O[5]O)(C[5]C[5]HH)(PC[6a]2S)(H){2|C<3>,2|H<1>}	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)2{1|C<3>,1|P<4>,2|C<4>,3|H<1>}	112.5230	0.000	1	112.5230	0.000	1	112.5755	0.006	2	112.5755	0.006	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:3:	4:2:2:2:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:C-3:	C[5]-4:O[5]-2:C-2:C-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(COO)	C[5](C[5]C[6a]O[5]C)(O[5]C[5])(CN)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]CC)(O[5]C[5])(COO){3|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]C)(O[5]C[5])(CN)2{1|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,2|C<2>,2|H<1>}	114.7730	0.000	1	114.7730	0.000	1	114.7730	0.000	1	114.7730	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:3:	4:3:2:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:C-3:	C[5]-4:N[5]-3:O-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]HO)(O[5]C[5,5])(CC[6a]O)	C[5](C[5]C[6a]O[5]C)(N[5]C[5,5]C)(OC)(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]HO)(O[5]C[5,5])(CC[6a]O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]C)(N[5]C[5,5]C)(OC)(H){1|C<4>,1|N<3>,2|C<3>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	115.5510	0.000	1	115.5510	0.000	1	115.5510	0.000	1	115.5510	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:3:	4:3:4:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-2:C-3:	C[5]-4:N[5]-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]CH)(N[5]C[5])(COO)	C[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(CCCH)(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]CH)(N[5]C[5])(COO){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(CCCH)(H){1|H<1>,2|C<3>}	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	116.0950	0.000	1	116.0950	0.000	1	116.0950	0.000	1	115.7307	0.174	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:3:	4:3:4:1:	4:3:3:	C[6a]-3:C[5]-4:S[5]-2:C-3:	C[5]-4:C[5]-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]CH)(S[5]C[5])(CNO)	C[5](C[5]C[6a]S[5]C)(C[5]C[5]N)(CCHO)(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]C[5]CH)(S[5]C[5])(CNO){2|C<3>,2|H<1>,2|N<3>}	C[5](C[5]C[6a]S[5]C)(C[5]C[5]N)(CCHO)(H){1|N<3>,2|C<3>}	C[6a](C[5]C[5]S[5]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	115.5485	0.385	2	115.5485	0.149	2	115.5485	0.149	2	115.7307	0.174	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:3:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:C-3:	C[5]-4:C[5]-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[6a]O)	C[5](C[5]C[6a]C[5]C)(C[5]C[6a]O[5]C)(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[6a]O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]C)(C[5]C[6a]O[5]C)(H)2{1|O<1>,4|C<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>}	112.3800	0.000	1	112.3800	0.000	1	112.3800	0.000	1	112.3800	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:4:	4:2:1:1:	4:3:2:	C[6a]-3:C[5]-4:N[5]-2:C-4:	C[5]-4:O[5]-2: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[5](C[5]C[6a]N[5]C)(O[5]C[5])(H)2	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[5](C[5]C[6a]N[5]C)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|N<2>}	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>}	110.6520	0.000	1	110.6520	0.000	1	110.6520	0.000	1	110.6520	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:4:	4:2:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-2:C-4:	C[5]-4:O[5]-2: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[5](C[5]C[6a]N[5]C)(O[5]C[5])(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[5](C[5]C[6a]N[5]C)(O[5]C[5])(H)2{1|C<4>,2|C<3>}	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,4|H<1>}	112.6590	0.979	3	112.9693	1.024	4	112.9693	1.024	4	112.9693	1.024	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:4:	4:2:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-2:C-4:	C[5]-4:O[5]-2: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[5](C[5]C[6a]N[5]C)(O[5]C[5])(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[5](C[5]C[6a]N[5]C)(O[5]C[5])(H)2{3|C<3>}	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,4|H<1>}	113.9000	0.000	1	112.9693	1.024	4	112.9693	1.024	4	112.9693	1.024	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:4:	4:2:3:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:N[5]-2:C-3:H-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[5](C[5]C[6a]O[5]C)(N[5]C[5])(COO)(H)	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[5](C[5]C[6a]O[5]C)(N[5]C[5])(COO)(H){1|H<1>,2|C<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>}	121.1520	0.000	1	121.1520	0.000	1	121.1520	0.000	1	121.1520	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	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:C[5]-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])(CF3)	C[5](C[5]C[6a]O[5]C)(C[5]C[5]O)(H)2	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[5](C[5]C[6a]O[5]C)(C[5]C[5]O)(H)2{3|C<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>}	114.3360	0.000	1	114.3360	0.000	1	113.4043	1.591	3	113.3412	2.339	5	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	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:C[5]-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])(CH3)	C[5](C[5]C[6a]O[5]C)(C[5]C[5]C)(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])(CH3){2|H<1>,4|C<3>}	C[5](C[5]C[6a]O[5]C)(C[5]C[5]C)(H)2{3|C<3>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	113.9080	0.000	1	113.9080	0.000	1	113.4043	1.591	3	113.3412	2.339	5	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	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:C[5]-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]N[5])(CH3)	C[5](C[5]C[6a]O[5]C)(C[5]N[5]C)(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]N[5])(CH3){2|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]C)(C[5]N[5]C)(H)2{2|C<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>}	111.9690	0.000	1	111.9690	0.000	1	113.4043	1.591	3	113.3412	2.339	5	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	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[5]-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]HH)(O[5]C[5])(CCHH)	C[5](C[5]C[6a]O[5]C)(N[5]C[5]C)(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[5](C[5]C[6a]O[5]C)(N[5]C[5]C)(H)2{1|N<2>,2|C<3>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	114.9990	0.000	1	114.9990	0.000	1	113.2465	6.143	2	113.3412	2.339	5	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	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[5]-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]HH)(O[5]P[5])(CHHI)	C[5](C[5]C[6a]O[5]C)(N[5]P[5]C)(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]P[5])(CHHI){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]O[5]C)(N[5]P[5]C)(H)2{1|O<1>,1|O<2>,2|C<3>}	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>}	111.4940	0.000	1	111.4940	0.000	1	113.2465	6.143	2	113.3412	2.339	5	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:4:	4:3:4:3:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:N[5]-3:C-4:C-3:	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[5](C[5]C[6a]O[5]C)(N[5]C[5]H)(CH3)(COO)	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[5](C[5]C[6a]O[5]C)(N[5]C[5]H)(CH3)(COO){1|S<1>,2|C<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>}	113.4350	0.000	1	113.4350	0.000	1	113.4350	0.000	1	113.4350	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	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[5]-4:F-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[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(F)(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]FH)(O[5]C[5])(CH3){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(F)(H){1|O<1>,2|C<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>}	110.2190	0.000	1	110.2190	0.000	1	110.2190	0.000	1	112.8415	2.164	10	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	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[5]-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])(CBrHH)	C[5](C[5]C[6a]O[5]C)(C[5]C[5]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])(CBrHH){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{2|C<3>,2|H<1>,3|C<4>}	112.6500	0.000	1	112.6500	0.000	1	113.1329	1.479	9	112.8415	2.164	10	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	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[5]-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[5](C[5]C[5a]C[5]H)(C[5]C[6a]O[5]C)(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[5](C[5]C[5a]C[5]H)(C[5]C[6a]O[5]C)(H)2{1|O<1>,4|C<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>}	113.1780	0.000	1	113.1780	0.000	1	113.1329	1.479	9	112.8415	2.164	10	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	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[5]-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[5](C[5]C[6a]O[5]C)(C[5]C[5]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])(CC[6]HH){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(H)2{1|O<1>,2|C<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>}	111.4740	0.000	1	111.4740	0.000	1	113.1329	1.479	9	112.8415	2.164	10	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	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[5]-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])(CF3)	C[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(H)2	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[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(H)2{3|C<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>}	115.4290	0.000	1	115.4290	0.000	1	113.1329	1.479	9	112.8415	2.164	10	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	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[5]-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])(CH3)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]C)(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])(CH3){1|O<1>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]C)(H)2{1|O<1>,4|C<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>}	113.0990	0.597	2	113.0990	0.356	2	113.1329	1.479	9	112.8415	2.164	10	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	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[5]-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])(CHHN)	C[5](C[5]C[6a]O[5]C)(C[5]C[5]CC)(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[5](C[5]C[6a]O[5]C)(C[5]C[5]CC)(H)2{2|C<3>,2|H<1>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	114.3160	0.000	1	114.3160	0.000	1	113.1329	1.479	9	112.8415	2.164	10	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	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[5]-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])(CSeHH)	C[5](C[5]C[6a]O[5]C)(C[5]C[5]CH)(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[5](C[5]C[6a]O[5]C)(C[5]C[5]CH)(H)2{2|C<3>,2|H<1>}	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>}	111.7870	0.000	1	111.7870	0.000	1	113.1329	1.479	9	112.8415	2.164	10	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	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[5]-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])(CSeHH)	C[5](C[5]C[6a]O[5]C)(C[5]C[5]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])(CSeHH){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(H)2{1|O<1>,2|C<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>}	113.1640	0.000	1	113.1640	0.000	1	113.1329	1.479	9	112.8415	2.164	10	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:4:	4:4:3:1:	4:3:3:	C[6a]-3:C[5]-4:S[5]-2:C-4:	C[5]-4:C[5]-4:C-3:H-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[5](C[5]C[6a]S[5]C)(C[5]C[5]HO)(CC[6a]O)(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]C[5]CH)(S[5]C[5])(CF3){1|O<2>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]S[5]C)(C[5]C[5]HO)(CC[6a]O)(H){2|C<3>,2|H<1>}	C[6a](C[5]C[5]S[5]C)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	113.8490	0.000	1	113.8490	0.000	1	113.8490	0.000	1	113.8490	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:2:4:	4:4:4:1:	4:3:3:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:C[5]-4:C-4: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[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(CH3)(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]CH)(O[5]C[5])(CH3){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(CH3)(H){1|O<1>,2|C<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>}	114.1200	0.000	1	114.1200	0.000	1	114.1200	0.000	1	114.1200	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	3:4:1:1:	3:3:4:	C[5]-3:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)2{1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){4|C<3>,4|H<1>}	111.7905	0.264	2	111.7905	0.070	2	111.7905	0.070	2	111.7905	0.070	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	3:4:1:1:	4:3:3:	C[5,5a]-3:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5a]C[5,5a,6a]C[5a])(C[5]C[5,6a]HH)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,5a,6a]C[6a])(C[5]C[5,5a]C[6a]H)(H)2	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5a]C[5,5a,6a]C[5a])(C[5]C[5,6a]HH)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,5a,6a]C[6a])(C[5]C[5,5a]C[6a]H)(H)2{1|C<4>,5|C<3>}	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	110.5680	0.000	1	110.5680	0.000	1	110.5680	0.000	1	110.5680	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	3:4:2:1:	4:3:2:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:H-1:	C[5]-4:C[6a]-3:N[6a]-2:	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(N[5]C[5]C)(H)	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(N[5]C[5])(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(N[5]C[5]C)(H){1|H<1>,1|N<2>,4|C<3>}	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(N[5]C[5])(H){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,3|H<1>,4|C<3>}	115.8070	0.000	1	115.8070	0.000	1	115.8070	0.000	1	115.8070	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	3:4:2:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]O[5]H)(C[6a]C[6a]2)(H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]O[5]H)(C[6a]C[6a]2)(H){3|H<1>,6|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(H){1|H<1>,1|N<3>,6|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|O<2>,3|H<1>,4|C<3>}	112.2190	0.000	1	112.2190	0.000	1	112.2190	0.000	1	112.2190	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	3:4:3:1:	3:4:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]N)(H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]O)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]N)(H){1|O<2>,7|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|Br<1>,1|H<1>,1|N<3>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]O){1|N<3>,3|H<1>,6|C<3>}	114.9830	0.000	1	114.8250	1.168	3	114.8250	1.168	3	114.8250	1.168	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	3:4:3:1:	3:4:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]N)(H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]O)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]N)(H){1|O<2>,7|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,1|N<3>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]O){1|N<3>,3|H<1>,6|C<3>}	113.6740	0.000	1	114.8250	1.168	3	114.8250	1.168	3	114.8250	1.168	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	3:4:3:1:	3:4:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]N)(H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]O)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]N)(H){1|O<2>,7|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]O){1|N<3>,3|H<1>,6|C<3>}	115.8180	0.000	1	114.8250	1.168	3	114.8250	1.168	3	114.8250	1.168	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	3:4:3:1:	4:3:2:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:N[6a]-2:	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(N[5]C[5]Cu)(H)	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(N[5]C[5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(N[5]C[5]Cu)(H){1|N<2>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(N[5]C[5]H)(H){1|Cu<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cu<4>,1|N<3>,3|C<3>,3|H<1>}	116.4460	0.000	1	116.4460	0.000	1	114.5785	6.975	2	114.5785	6.975	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	3:4:3:1:	4:3:2:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:N[6a]-2:	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(N[5]C[5]H)(H)	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(N[5]C[5]Cu)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(N[5]C[5]H)(H){1|Cu<4>,1|H<1>,1|N<2>,4|C<3>}	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(N[5]C[5]Cu)(H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,3|C<3>,4|H<1>}	112.7110	0.000	1	112.7110	0.000	1	114.5785	6.975	2	114.5785	6.975	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	3:4:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-3: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]H)(C[6a]C[6a]2)(H)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]N)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|Br<1>,1|H<1>,1|N<3>,7|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]N)(H){1|O<2>,7|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	110.3600	0.000	1	110.3600	0.000	1	111.0043	0.380	3	111.0683	0.270	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	3:4:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-3: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]H)(C[6a]C[6a]2)(H)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]N)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,1|N<3>,7|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]N)(H){1|O<2>,7|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	111.5890	0.000	1	111.5890	0.000	1	111.0043	0.380	3	111.0683	0.270	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	3:4:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-3: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]H)(C[6a]C[6a]2)(H)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]N)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,7|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]N)(H){1|O<2>,7|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	111.0640	0.000	1	111.0640	0.000	1	111.0043	0.380	3	111.0683	0.270	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	3:4:3:1:	4:3:3:	N[5]-3:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CCH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CCH)(H){1|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	111.2600	0.000	1	111.2600	0.000	1	111.2600	0.000	1	111.0683	0.270	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	3:4:4:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]C)(H)	C[5](C[5]C[5,6a]N[5])(C[5]C[6a]C[5]H)2(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]C)(H){1|N<2>,4|C<3>,4|H<1>}	C[5](C[5]C[5,6a]N[5])(C[5]C[6a]C[5]H)2(H){1|H<1>,1|S<4>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,3|H<1>,4|C<3>}	111.9520	0.000	1	111.9520	0.000	1	114.3345	11.353	2	114.3345	11.353	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	3:4:4:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]H)(H)	C[5](C[5]C[5,6a]N[5])(C[5]C[6a]C[5]H)2(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]H)(H){1|N<2>,3|H<1>,5|C<3>}	C[5](C[5]C[5,6a]N[5])(C[5]C[6a]C[5]H)2(H){1|H<1>,1|S<4>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,3|C<3>,4|H<1>}	116.7170	0.000	1	116.7170	0.000	1	114.3345	11.353	2	114.3345	11.353	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:2:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:O[5]-2:F-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]FH)(C[5]N[5]C)(H)	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(F)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]O[5]FH)(C[5]N[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(F)(H){1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|F<1>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	114.7790	0.000	1	114.4325	0.240	2	114.4325	0.240	2	112.5700	2.482	6	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:2:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:O[5]-2:F-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]FH)(C[5]N[5]C)(H)	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(F)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]O[5]FH)(C[5]N[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(F)(H){1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|F<1>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	114.0860	0.000	1	114.4325	0.240	2	114.4325	0.240	2	112.5700	2.482	6	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:2:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]C)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(H)2{1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){1|O<2>,3|C<3>,4|H<1>}	111.6920	0.000	1	112.1180	0.363	2	111.6353	0.880	3	112.5700	2.482	6	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:2:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(H)2{4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){2|O<2>,3|C<3>,3|H<1>}	112.5440	0.000	1	112.1180	0.363	2	111.6353	0.880	3	112.5700	2.482	6	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:2:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]C)(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(H)2{4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|O<2>,3|C<3>,4|H<1>}	110.6700	0.000	1	110.6700	0.000	1	111.6353	0.880	3	112.5700	2.482	6	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:2:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(S[5]C[5])(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(C[5]C[5]C)(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(S[5]C[5])(H)2{4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|S<2>,3|C<3>,4|H<1>}	111.6490	0.000	1	111.6490	0.000	1	111.6490	0.000	1	112.5700	2.482	6	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:2:1:1:	3:4:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5](C[6a]C[6a,6a]C[6a])(C[5]O[5]HH)(N[5]C[5]Cu)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5]O[5]HH)(N[5]C[5]Cu)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Cu<4>,1|C<4>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|Cu<4>,1|O<2>,4|C<3>,4|H<1>}	113.9545	1.351	4	113.9545	1.826	4	113.9545	1.826	4	113.9545	1.826	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:2:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2: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]2)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]2)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|C<4>,1|O<1>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	112.6570	0.000	1	113.1103	2.563	3	114.7136	3.741	196	114.6667	3.775	200	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:2:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2: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]2)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]2)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|C<4>,1|O<1>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	113.3370	2.195	2	113.1103	2.563	3	114.7136	3.741	196	114.6667	3.775	200	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:2:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2: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]C)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|C<4>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	114.0530	1.588	4	113.9294	1.358	37	114.7136	3.741	196	114.6667	3.775	200	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:2:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2: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]C)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{2|C<4>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	114.8580	0.000	1	113.9294	1.358	37	114.7136	3.741	196	114.6667	3.775	200	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:2:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2: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]C)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|C<2>,1|O<1>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<2>,1|O<2>,2|C<3>,4|H<1>}	115.2460	0.000	1	113.9294	1.358	37	114.7136	3.741	196	114.6667	3.775	200	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:2:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2: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]C)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|C<4>,1|O<1>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	114.4190	0.935	2	113.9294	1.358	37	114.7136	3.741	196	114.6667	3.775	200	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:2:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2: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]C)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|O<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,4|H<1>}	113.6501	1.009	27	113.9294	1.358	37	114.7136	3.741	196	114.6667	3.775	200	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:2:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2: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]C)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H){1|S<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|S<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,4|H<1>}	116.6790	0.000	1	113.9294	1.358	37	114.7136	3.741	196	114.6667	3.775	200	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:2:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2: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]C)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H){3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	115.0000	0.000	1	113.9294	1.358	37	114.7136	3.741	196	114.6667	3.775	200	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:2:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2: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]Co)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Co)(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Co<4>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Co<4>,1|O<2>,2|C<3>,4|H<1>}	115.4935	0.524	2	115.4935	0.275	2	114.7136	3.741	196	114.6667	3.775	200	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:2:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2: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]Cu)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Cu)(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Cu<2>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Cu<2>,1|O<2>,2|C<3>,4|H<1>}	119.1310	0.847	2	118.0388	1.349	5	114.7136	3.741	196	114.6667	3.775	200	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:2:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2: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]Cu)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Cu)(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Cu<4>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Cu<4>,1|O<2>,2|C<3>,4|H<1>}	117.3107	0.592	3	118.0388	1.349	5	114.7136	3.741	196	114.6667	3.775	200	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:2:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2: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]Fe)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Fe)(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Fe<4>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Fe<4>,1|O<2>,2|C<3>,4|H<1>}	113.5050	0.646	2	116.0505	3.343	50	114.7136	3.741	196	114.6667	3.775	200	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:2:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2: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]Fe)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Fe)(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Fe<5>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Fe<5>,1|O<2>,2|C<3>,4|H<1>}	113.6135	1.520	6	116.0505	3.343	50	114.7136	3.741	196	114.6667	3.775	200	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:2:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2: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]Fe)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Fe)(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Fe<6>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Fe<6>,1|O<2>,2|C<3>,4|H<1>}	116.5198	1.514	42	116.0505	3.343	50	114.7136	3.741	196	114.6667	3.775	200	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:2:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2: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]Ir)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Ir)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Ir<6>,1|C<4>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]2)(C[6a]C[6a]H){1|Ir<6>,1|O<2>,4|C<3>,4|H<1>}	112.1970	0.000	1	112.1970	0.000	1	114.7136	3.741	196	114.6667	3.775	200	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:2:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2: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]Ir)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Ir)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Ir<6>,1|C<4>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Ir<6>,1|O<2>,2|C<3>,4|H<1>}	113.0170	0.000	1	112.9143	1.030	3	114.7136	3.741	196	114.6667	3.775	200	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:2:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2: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]Ir)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Ir)(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Ir<6>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Ir<6>,1|O<2>,2|C<3>,4|H<1>}	112.8630	1.430	2	112.9143	1.030	3	114.7136	3.741	196	114.6667	3.775	200	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:2:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2: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]Ni)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Ni)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Ni<3>,1|C<4>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Ni<3>,1|O<2>,2|C<3>,4|H<1>}	114.4885	1.552	2	113.3294	1.391	16	114.7136	3.741	196	114.6667	3.775	200	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:2:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2: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]Ni)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Ni)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Ni<4>,1|C<4>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Ni<4>,1|O<2>,2|C<3>,4|H<1>}	113.4437	1.287	8	113.3294	1.391	16	114.7136	3.741	196	114.6667	3.775	200	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:2:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2: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]Ni)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Ni)(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Ni<4>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Ni<4>,1|O<2>,2|C<3>,4|H<1>}	112.7907	0.682	6	113.3294	1.391	16	114.7136	3.741	196	114.6667	3.775	200	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:2:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2: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]Pd)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Pd)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Pd<4>,1|C<4>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Pd<4>,1|O<2>,2|C<3>,4|H<1>}	114.1176	1.342	13	114.3908	1.944	25	114.7136	3.741	196	114.6667	3.775	200	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:2:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2: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]Pd)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Pd)(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Pd<4>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Pd<4>,1|O<2>,2|C<3>,4|H<1>}	114.6758	1.517	11	114.3908	1.944	25	114.7136	3.741	196	114.6667	3.775	200	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:2:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2: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]Pd)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Pd)(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Pd<4>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Pd<4>,2|C<3>,2|H<1>,3|O<2>}	114.8060	0.000	1	114.3908	1.944	25	114.7136	3.741	196	114.6667	3.775	200	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:2:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2: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]Pt)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Pt)(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Pt<4>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Pt<4>,1|O<2>,2|C<3>,4|H<1>}	112.9270	0.000	1	112.9270	0.000	1	114.7136	3.741	196	114.6667	3.775	200	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:2:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2: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]Rh)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Rh)(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Rh<6>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Rh<6>,1|O<2>,2|C<3>,4|H<1>}	111.5670	1.280	3	111.5670	1.639	3	114.7136	3.741	196	114.6667	3.775	200	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:2:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2: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]Ru)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Ru)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Ru<9>,1|C<4>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Ru<9>,1|O<2>,2|C<3>,4|H<1>}	112.3217	0.966	3	112.3118	2.195	9	114.7136	3.741	196	114.6667	3.775	200	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:2:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2: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]Ru)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Ru)(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Ru<6>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Ru<6>,1|O<2>,2|C<3>,4|H<1>}	112.3068	1.772	6	112.3118	2.195	9	114.7136	3.741	196	114.6667	3.775	200	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:2:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2: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]S)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]S)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|O<1>,1|S<3>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,1|S<3>,2|C<3>,4|H<1>}	113.4190	0.000	1	113.3670	0.005	2	114.7136	3.741	196	114.6667	3.775	200	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:2:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2: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]S)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]S)(H){1|Sn<4>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Sn<4>,1|H<1>,1|S<4>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,1|S<4>,4|H<1>}	113.3150	0.000	1	113.3670	0.005	2	114.7136	3.741	196	114.6667	3.775	200	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:2:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2: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]Sn)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Sn)(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Sn<3>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Sn<3>,1|O<2>,2|C<3>,4|H<1>}	114.8075	2.082	2	114.8075	4.337	2	114.7136	3.741	196	114.6667	3.775	200	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:2:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2: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]Zn)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Zn)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Zn<4>,1|C<4>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Zn<4>,1|O<2>,2|C<3>,4|H<1>}	112.2800	0.000	1	115.3156	2.324	37	114.7136	3.741	196	114.6667	3.775	200	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:2:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2: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]Zn)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Zn)(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Zn<3>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Zn<3>,1|O<2>,2|C<3>,4|H<1>}	115.7160	0.588	4	115.3156	2.324	37	114.7136	3.741	196	114.6667	3.775	200	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:2:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2: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]Zn)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]Zn)(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(H)2{1|Zn<4>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Zn<4>,1|O<2>,2|C<3>,4|H<1>}	115.3604	1.532	32	115.3156	2.324	37	114.7136	3.741	196	114.6667	3.775	200	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:2:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(S[5]C[5])(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(S[5]C[5])(H)2{1|O<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|S<2>,3|C<3>,4|H<1>}	112.2830	0.000	1	112.2830	0.000	1	112.3688	0.068	4	114.6667	3.775	200	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:2:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(N[5]C[5]H)(H)	C[5](C[5]C[6a]N[5]H)(S[5]C[5])(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(N[5]C[5]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(S[5]C[5])(H)2{1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|S<2>,2|C<3>,5|H<1>}	112.0630	0.000	1	112.0630	0.000	1	112.3688	0.068	4	114.6667	3.775	200	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:2:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(N[5]C[5]Ni)(H)	C[5](C[5]C[6a]N[5]H)(S[5]C[5])(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(N[5]C[5]Ni)(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(S[5]C[5])(H)2{1|Ni<4>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Ni<4>,1|S<2>,2|C<3>,4|H<1>}	112.5645	0.166	2	112.5645	0.028	2	112.3688	0.068	4	114.6667	3.775	200	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:2:2:2:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2:C-2:C-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(CN)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(N[5]C[5]C)(H){3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(CN)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,2|C<2>,2|C<4>,2|O<2>}	115.9530	1.119	4	115.9530	1.252	4	115.5908	1.595	5	115.5908	1.595	5	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:2:2:2:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2:C-2:C-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(CN)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(N[5]C[5]C)(H){3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(CN)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<2>,2|C<4>,2|H<1>}	114.1420	0.000	1	114.1420	0.000	1	115.5908	1.595	5	115.5908	1.595	5	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:2:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]C)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC[6a]O)(H){1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|O<2>,3|H<1>,4|C<3>}	113.7070	0.000	1	114.3349	1.140	8	114.3661	1.617	12	113.4180	2.397	21	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:2:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]C)(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC[6a]O)(H){1|C<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|Br<1>,1|C<2>,1|O<2>,2|H<1>,3|C<3>}	113.1900	0.000	1	114.3349	1.140	8	114.3661	1.617	12	113.4180	2.397	21	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:2:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]C)(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC[6a]O)(H){1|C<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,1|C<4>,1|O<2>,2|H<1>,3|C<3>}	115.4890	0.000	1	114.3349	1.140	8	114.3661	1.617	12	113.4180	2.397	21	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:2:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]C)(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC[6a]O)(H){1|C<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,1|O<2>,3|C<3>,3|H<1>}	114.7620	1.004	4	114.3349	1.140	8	114.3661	1.617	12	113.4180	2.397	21	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:2:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]C)(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC[6a]O)(H){1|C<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|Cl<1>,1|C<2>,1|O<2>,2|H<1>,3|C<3>}	113.2450	0.000	1	114.3349	1.140	8	114.3661	1.617	12	113.4180	2.397	21	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:2:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(COO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]C)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(COO)(H){1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|O<2>,3|H<1>,4|C<3>}	112.1270	0.000	1	112.1270	0.000	1	114.3661	1.617	12	113.4180	2.397	21	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:2:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]N[5]C)(H)	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(CCC)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]N[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(CCC)(H){1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	114.0230	0.000	1	114.0230	0.000	1	114.3661	1.617	12	113.4180	2.397	21	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:2:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]N[5]C)(H)	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(CCH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]N[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(CCH)(H){1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	116.3550	0.000	1	116.3550	0.000	1	114.3661	1.617	12	113.4180	2.397	21	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:2:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]N[5]C)(H)	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]N[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(CC[5a]O)(H){1|C<4>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	115.2090	0.000	1	115.2090	0.000	1	114.3661	1.617	12	113.4180	2.397	21	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:2:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:O[5]-2:N-3:H-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]S)(H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(NCN)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]O[5]HN)(C[5]C[5]S)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(NCN)(H){1|C<4>,1|S<4>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,1|O<2>,1|S<4>,2|C<3>,3|H<1>}	113.7310	0.000	1	113.7310	0.000	1	113.7310	0.000	1	113.4180	2.397	21	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:2:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:S[5]-2:C-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]S[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(S[5]C[5])(CNO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]S[5]CH)(C[5]C[5]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(S[5]C[5])(CNO)(H){1|C<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,1|O<2>,1|S<2>,2|H<1>,3|C<3>}	111.9475	0.214	2	111.9567	0.314	8	111.9567	0.314	8	113.4180	2.397	21	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:2:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:S[5]-2:C-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]S[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(S[5]C[5])(CNO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]S[5]CH)(C[5]C[5]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(S[5]C[5])(CNO)(H){1|C<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,1|S<2>,3|C<3>,3|H<1>}	111.9598	0.656	6	111.9567	0.314	8	111.9567	0.314	8	113.4180	2.397	21	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:2:3:1:	3:4:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5](C[6a]C[6a,6a]C[6a])(C[5]O[5]CH)(N[5]C[5]H)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(COO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5]O[5]CH)(N[5]C[5]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(COO)(H){1|H<1>,1|O<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|O<2>,4|H<1>,5|C<3>}	112.9150	0.000	1	112.9150	0.000	1	112.9150	0.000	1	112.9150	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:2:3:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-2:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]C[5]S)(H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5])(CN[5]O)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]C[5]S)(H){1|S<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(N[5]C[5])(CN[5]O)(H){1|S<1>,1|S<4>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,1|O<2>,1|S<4>,2|H<1>,3|C<3>}	115.3620	0.000	1	115.3620	0.000	1	115.3620	0.000	1	114.4451	4.603	8	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:2:3:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(COO)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]C[5]C)(H){3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(COO)(H){1|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	111.8770	0.000	1	111.8770	0.000	1	114.3141	5.210	7	114.4451	4.603	8	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:2:3:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]C[5]H)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(CCH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]C[5]H)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(CCH)(H){1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,4|H<1>}	112.3430	0.000	1	112.3430	0.000	1	114.3141	5.210	7	114.4451	4.603	8	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:2:3:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]C[5]H)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(CC[6a]O)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]C[5]H)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(CC[6a]O)(H){1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,4|H<1>}	113.4550	1.160	2	113.4550	1.345	2	114.3141	5.210	7	114.4451	4.603	8	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:2:3:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]C[5]H)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(COS)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]C[5]H)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(COS)(H){1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,4|H<1>}	117.1285	1.589	2	117.1285	2.525	2	114.3141	5.210	7	114.4451	4.603	8	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:2:3:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]S[5]H)(H)	C[5](C[5]C[6a]N[5]H)(O[5]S[5])(COO)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]S[5]H)(H){2|C<3>,2|H<1>,2|O<1>}	C[5](C[5]C[6a]N[5]H)(O[5]S[5])(COO)(H){1|H<1>,2|C<3>,2|O<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,1|S<4>,2|C<3>,4|H<1>}	114.8120	0.000	1	114.8120	0.000	1	114.3141	5.210	7	114.4451	4.603	8	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:2:3:3:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:O[5]-2:C-3:C-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]H)(H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CCH)(COO)	C[6a](C[6a]C[6a]C)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]H)(H){2|C<4>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CCH)(COO){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)2(C[5]C[5]2H){1|O<2>,3|H<1>,4|C<3>}	117.6670	0.305	2	117.6670	0.093	2	116.8617	1.992	3	117.1482	1.657	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:2:3:3:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:O[5]-2:C-3:C-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]N[5]C)(H)	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(CCO)(COO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]N[5]C)(H){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(CCO)(COO){1|C<4>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	115.2510	0.000	1	115.2510	0.000	1	116.8617	1.992	3	117.1482	1.657	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:2:3:3:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:O[5]-2:C-3:N-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CN)(C[5]N[5]Br)(H)	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(COO)(NCH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]O[5]CN)(C[5]N[5]Br)(H){2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(COO)(NCH){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|Br<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	118.0080	0.000	1	118.0080	0.000	1	118.0080	0.000	1	117.1482	1.657	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:2:4:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]C[5]H)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(CCHH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]C[5]H)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	115.7040	0.000	1	115.7040	0.000	1	114.2723	1.539	3	115.4283	3.503	8	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:2:4:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]C[5]H)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]C[5]H)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3)(H){1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	113.5565	0.053	2	113.5565	0.003	2	114.2723	1.539	3	115.4283	3.503	8	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:2:4:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2:P-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]O[5]HP)(N[5]S[5]C)(H)	C[5](C[5]C[6a]N[5]H)(O[5]S[5])(PO3)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HP)(N[5]S[5]C)(H){2|C<3>,2|H<1>,2|O<1>}	C[5](C[5]C[6a]N[5]H)(O[5]S[5])(PO3)(H){2|O<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,1|P<4>,1|S<4>,2|C<3>,3|H<1>}	117.1887	0.766	3	117.1887	0.587	3	116.1218	3.757	5	115.4283	3.503	8	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:2:4:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2:P-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]O[5]HP)(N[5]S[5]H)(H)	C[5](C[5]C[6a]N[5]H)(O[5]S[5])(PO3)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HP)(N[5]S[5]H)(H){2|C<3>,2|H<1>,2|O<1>}	C[5](C[5]C[6a]N[5]H)(O[5]S[5])(PO3)(H){1|H<1>,2|C<3>,2|O<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,1|P<4>,1|S<4>,4|H<1>}	114.5215	2.306	2	114.5215	5.317	2	116.1218	3.757	5	115.4283	3.503	8	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:2:4:3:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:O[5]-2:C-4:C-3:	C[6a,6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5]O[5]CC)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CH3)(CCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a,6a]C[6a])(C[5]O[5]CC)(C[5]C[5]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CH3)(CCH){1|C<4>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	115.5700	0.000	1	115.5700	0.000	1	115.5700	0.000	1	115.3460	2.163	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:2:4:3:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:O[5]-2:C-4:C-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]N[5]C)(H)	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(CCHH)(CHO)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]N[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(CCHH)(CHO){1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	116.6920	0.000	1	116.6920	0.000	1	116.6920	0.000	1	115.3460	2.163	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:2:4:3:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:S[5]-2:C-4:C-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]S[5]CC)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(S[5]C[5])(CH3)(CNO)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]S[5]CC)(C[5]C[5]C)(H){1|S<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(S[5]C[5])(CH3)(CNO){1|S<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	113.7760	0.000	1	113.7760	0.000	1	113.7760	0.000	1	115.3460	2.163	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:2:4:4:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3)2{1|O<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	115.5797	0.283	3	115.5528	0.056	4	115.5528	0.056	4	115.5528	0.056	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:2:4:4:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(N[5]C[5]C)(H){1|S<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3)2{1|S<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	115.4720	0.000	1	115.5528	0.056	4	115.5528	0.056	4	115.5528	0.056	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[5]C[5]2H){1|N<3>,2|O<1>,3|H<1>,4|C<3>}	117.3360	0.000	1	117.3360	0.000	1	117.3360	0.000	1	115.0038	3.864	36	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-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]HH)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2{1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){4|C<3>,4|H<1>}	115.4130	0.000	1	113.9460	1.739	7	115.2188	3.381	24	115.0038	3.864	36	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-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]HH)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2{1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){4|C<3>,4|H<1>}	113.0585	1.172	2	113.9460	1.739	7	115.2188	3.381	24	115.0038	3.864	36	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-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]HH)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2{1|C<4>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,3|C<3>,4|H<1>}	113.0385	1.090	2	113.9460	1.739	7	115.2188	3.381	24	115.0038	3.864	36	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-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]HH)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2{4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){4|C<3>,4|H<1>}	114.6570	0.000	1	113.9460	1.739	7	115.2188	3.381	24	115.0038	3.864	36	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-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]HH)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2{5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,3|C<3>,4|H<1>}	115.3580	0.000	1	113.9460	1.739	7	115.2188	3.381	24	115.0038	3.864	36	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-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]HH)(C[5]C[5]N)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(C[5]C[5]2H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	118.0070	0.000	1	118.0070	0.000	1	115.2188	3.381	24	115.0038	3.864	36	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-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]HH)(C[5]C[5]S)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]S)(H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2{1|S<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|S<2>,3|C<3>,4|H<1>}	111.7390	0.000	2	111.7390	0.000	2	115.2188	3.381	24	115.0038	3.864	36	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-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]HH)(C[5]N[5]C)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C)(H){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2{1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,3|C<3>,4|H<1>}	115.9830	0.000	1	115.9830	0.000	1	115.2188	3.381	24	115.0038	3.864	36	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-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]HH)(C[5]N[5]O)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(C[5]C[5]2H){1|O<1>,2|N<3>,3|C<3>,4|H<1>}	116.0645	0.624	2	116.0645	0.390	2	115.2188	3.381	24	115.0038	3.864	36	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-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]HH)(C[5]N[5]O)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2	C[6a](C[6a]C[6a]C)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(H){1|O<1>,2|C<3>,3|C<4>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]C)2(C[5]C[5]2H){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	118.8380	0.000	1	118.8380	0.000	1	115.2188	3.381	24	115.0038	3.864	36	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-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]HH)(C[5]N[5]O)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(H){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	115.9710	0.649	5	115.9927	0.374	7	115.2188	3.381	24	115.0038	3.864	36	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-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]HH)(C[5]N[5]O)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2{1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|Br<1>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	116.5730	0.000	1	115.9927	0.374	7	115.2188	3.381	24	115.0038	3.864	36	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-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]HH)(C[5]N[5]O)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2{1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	115.5210	0.000	1	115.9927	0.374	7	115.2188	3.381	24	115.0038	3.864	36	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-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]HH)(C[5]N[5]O)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2{1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	115.5720	0.000	1	115.5720	0.000	1	115.2188	3.381	24	115.0038	3.864	36	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-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]HH)(C[5]O[5]O)(H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]C)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O)(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]O[5]C)(H)2{1|O<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	115.0710	0.000	1	115.0710	0.000	1	115.2188	3.381	24	115.0038	3.864	36	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-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]HH)(C[5]O[5]O)(H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)2{1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	116.6020	0.000	1	116.6020	0.000	1	115.2188	3.381	24	115.0038	3.864	36	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	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)(C[5]N[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]C)(H){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(H)2{1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,3|C<3>,4|H<1>}	111.5760	0.000	1	111.5760	0.000	1	112.3558	2.678	4	115.0038	3.864	36	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	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)(C[5]N[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]C)(H){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2{1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,3|C<3>,4|H<1>}	110.9520	0.000	1	111.5800	0.789	2	112.3558	2.678	4	115.0038	3.864	36	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	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)(C[5]N[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]C)(H){1|S<4>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	112.2080	0.000	1	111.5800	0.789	2	112.3558	2.678	4	115.0038	3.864	36	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	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)(C[5]N[5]HH)(C[5]C[5]N)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]N)(H){1|S<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2{1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<2>,1|N<3>,2|C<3>,4|H<1>}	114.6870	0.000	1	114.6870	0.000	1	112.3558	2.678	4	115.0038	3.864	36	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:1:1:	3:3:4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C[5]-4:	C[5](C[6a]C[6a,6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]C[5]N[5]H)	C[5](C[6a]C[6a,6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2{5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]C[5]N[5]H){1|N<2>,4|H<1>,7|C<3>}	115.4467	1.498	7	115.4467	2.243	7	115.4467	2.243	7	115.0038	3.864	36	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:1:1:	3:4:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(N[5]N[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(N[5]N[5]C)(H){1|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2{5|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|N<2>,4|H<1>,5|C<3>}	113.5737	1.079	6	113.5737	1.164	6	113.0287	1.447	9	113.3773	1.817	11	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:1:1:	3:4:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(N[5]N[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(N[5]N[5]C)(H){1|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2{5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|N<2>,4|H<1>,5|C<3>}	112.0630	0.000	1	112.0630	0.000	1	113.0287	1.447	9	113.3773	1.817	11	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:1:1:	3:4:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(N[5]N[5]H)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(N[5]N[5]H)(H){1|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2{1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|N<2>,4|C<3>,5|H<1>}	111.8765	0.623	2	111.8765	0.388	2	113.0287	1.447	9	113.3773	1.817	11	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:1:1:	3:4:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]H)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]H)(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2{1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|N<2>,3|C<3>,4|H<1>}	114.9460	0.758	2	114.9460	0.575	2	114.9460	0.575	2	113.3773	1.817	11	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:1:1:	4:3:2:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:N[6a]-2:	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(N[5]N[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(N[5]N[5]C)(H){1|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2{1|N<2>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,3|C<3>,4|H<1>}	114.2190	0.000	1	114.2190	0.000	1	114.2190	0.000	1	114.2190	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-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)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(H)2{2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	112.0590	0.000	2	112.0590	0.000	2	113.4934	1.821	85	113.3969	2.208	100	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-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)(N[5]C[5]S)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]H)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]H)(H)2{1|C<4>,1|S<4>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|S<4>,3|C<3>,4|H<1>}	113.2120	0.000	1	113.2120	0.000	1	113.4934	1.821	85	113.3969	2.208	100	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-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)(N[5]C[5]S)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]S)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H){1|S<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]S)(H)2{1|S<4>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|S<4>,3|C<3>,4|H<1>}	112.5950	0.000	1	112.5950	0.000	1	113.4934	1.821	85	113.3969	2.208	100	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-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)(N[5]C[5]S)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]C[5])(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H){2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]C[5])(H)2{1|S<4>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|S<4>,3|C<3>,4|H<1>}	112.9650	0.000	1	112.9650	0.000	1	113.4934	1.821	85	113.3969	2.208	100	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-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)(N[5]N[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5a]N[5])(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5a]N[5])(H)2{1|C<4>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	113.8250	0.000	1	113.8250	0.000	1	113.4934	1.821	85	113.3969	2.208	100	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-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)(N[5]N[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5a]N[5])(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5a]N[5])(H)2{1|N<2>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,4|H<1>}	112.7365	0.549	2	112.8953	0.227	3	113.4934	1.821	85	113.3969	2.208	100	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-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)(N[5]N[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5a]N[5])(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5a]N[5])(H)2{1|S<2>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,4|H<1>}	113.2130	0.000	1	112.8953	0.227	3	113.4934	1.821	85	113.3969	2.208	100	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-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)(N[5]N[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2{5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|N<2>,1|O<2>,3|C<3>,3|H<1>}	114.1820	0.000	1	114.1820	0.000	1	113.4934	1.821	85	113.3969	2.208	100	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-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)(N[5]N[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){1|Cl<1>,1|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2{5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<2>,3|C<3>,4|H<1>}	111.7840	0.759	2	111.7840	0.577	2	113.4934	1.821	85	113.3969	2.208	100	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-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)(N[5]N[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Cl)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){2|Cl<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2{5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Cl)2{1|N<2>,3|C<3>,4|H<1>}	115.3770	0.000	1	115.3770	0.000	1	113.4934	1.821	85	113.3969	2.208	100	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-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)(N[5]N[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2{1|C<4>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,4|H<1>}	116.3650	0.000	1	113.5771	1.756	56	113.4934	1.821	85	113.3969	2.208	100	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-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)(N[5]N[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2{1|N<2>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,4|H<1>}	112.2475	0.653	4	113.5771	1.756	56	113.4934	1.821	85	113.3969	2.208	100	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-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)(N[5]N[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2{5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Cl<1>,1|N<2>,3|C<3>,3|H<1>}	114.0640	0.000	1	113.5771	1.756	56	113.4934	1.821	85	113.3969	2.208	100	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-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)(N[5]N[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2{5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,1|O<2>,3|C<3>,3|H<1>}	111.9270	0.000	1	113.5771	1.756	56	113.4934	1.821	85	113.3969	2.208	100	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-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)(N[5]N[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2{5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,2|C<4>,2|H<1>,3|C<3>}	113.4430	2.811	2	113.5771	1.756	56	113.4934	1.821	85	113.3969	2.208	100	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-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)(N[5]N[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2{5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,2|O<2>,3|C<3>}	113.3585	1.916	2	113.5771	1.756	56	113.4934	1.821	85	113.3969	2.208	100	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-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)(N[5]N[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2{5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,4|H<1>}	113.6748	1.219	45	113.5771	1.756	56	113.4934	1.821	85	113.3969	2.208	100	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-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)(N[5]N[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]N[5]C)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){1|Cl<1>,1|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]N[5]C)(H)2{3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<2>,3|C<3>,4|H<1>}	114.3130	0.000	1	114.3130	0.000	1	113.4934	1.821	85	113.3969	2.208	100	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-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)(N[5]N[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]N[5]C)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]N[5]C)(H)2{3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,3|C<3>,4|H<1>}	113.5930	0.000	1	113.0390	0.614	2	113.4934	1.821	85	113.3969	2.208	100	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-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)(N[5]N[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]N[5]C)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]N[5]C)(H)2{3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,3|C<3>,4|H<1>}	112.4850	0.000	1	113.0390	0.614	2	113.4934	1.821	85	113.3969	2.208	100	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-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)(N[5]N[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]N[5]C)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]N[5]C)(H)2{3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,1|O<2>,3|C<3>,3|H<1>}	115.8870	0.000	1	113.6923	2.848	6	113.4934	1.821	85	113.3969	2.208	100	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-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)(N[5]N[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]N[5]C)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]N[5]C)(H)2{3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,4|H<1>}	113.0350	0.557	2	113.6923	2.848	6	113.4934	1.821	85	113.3969	2.208	100	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-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)(N[5]N[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]N[5]C)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]N[5]C)(H)2{3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,4|H<1>}	113.3990	1.999	3	113.6923	2.848	6	113.4934	1.821	85	113.3969	2.208	100	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-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)(N[5]N[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]N[5]O)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]N[5]O)(H)2{3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,4|H<1>}	117.1090	0.000	1	114.5515	13.082	2	113.4934	1.821	85	113.3969	2.208	100	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-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)(N[5]N[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]N[5]O)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	111.9940	0.000	1	114.5515	13.082	2	113.4934	1.821	85	113.3969	2.208	100	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-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)(N[5]N[5]H)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]H)(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(H)2{1|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,1|O<2>,2|C<3>,4|H<1>}	115.2920	0.000	1	115.2920	0.000	1	113.4934	1.821	85	113.3969	2.208	100	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-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)(N[5]N[5]H)(H)	C[5](C[5]C[6a]N[5]H)(C[5]N[5]O)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]H)(H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]N[5]O)(H)2{1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,5|H<1>}	111.7270	0.000	1	111.7270	0.000	1	113.4934	1.821	85	113.3969	2.208	100	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-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)(N[5]N[5]H)(H)	C[5](C[5]C[6a]N[5]H)(C[5]N[5]S)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]H)(H){1|S<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]N[5]S)(H)2{1|H<1>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,2|C<3>,5|H<1>}	112.8920	0.144	2	112.8920	0.021	2	113.4934	1.821	85	113.3969	2.208	100	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-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)(N[5]N[5]S)(H)	C[5](C[5]C[6a]N[5]H)(C[5]N[5]H)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]S)(H){2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]N[5]H)(H)2{1|S<4>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,1|S<4>,2|C<3>,4|H<1>}	113.6460	0.000	1	113.6460	0.000	1	113.4934	1.821	85	113.3969	2.208	100	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-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]HH)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]C)(H){1|Pd<4>,1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(H)2{1|Pd<4>,1|C<4>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	113.8535	2.614	2	113.6593	3.271	4	112.8497	4.307	15	113.3969	2.208	100	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-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]HH)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]C)(H){1|Ru<5>,1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(H)2{1|Ru<5>,1|C<4>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	113.4650	1.681	2	113.6593	3.271	4	112.8497	4.307	15	113.3969	2.208	100	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-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]HH)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]S)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]C)(H){1|S<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(N[5]C[5]S)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	114.2680	0.000	1	114.2680	0.000	1	112.8497	4.307	15	113.3969	2.208	100	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-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]HH)(N[5]C[5]H)(H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]S)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]H)(H){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(N[5]C[5]S)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,5|H<1>}	113.7190	0.010	2	113.7190	0.000	2	112.8497	4.307	15	113.3969	2.208	100	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-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]HH)(N[5]C[5]Pd)(H)	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]Pd)(H){2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(H)2{1|Pd<4>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Pd<4>,1|N<3>,2|C<3>,4|H<1>}	111.7400	0.000	1	111.7400	0.000	1	112.8497	4.307	15	113.3969	2.208	100	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-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]HH)(N[5]C[5]Pt)(H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C[6])(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]Pt)(H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C[6])(H)2{1|Pt<4>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Pt<4>,1|N<3>,2|C<3>,4|H<1>}	113.5420	1.066	4	113.5420	1.135	4	112.8497	4.307	15	113.3969	2.208	100	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-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]HH)(N[5]C[5]Pt)(H)	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]Pt)(H){2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(H)2{1|Pt<4>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Pt<4>,1|N<3>,2|C<3>,4|H<1>}	111.9120	0.000	1	111.9120	0.000	1	112.8497	4.307	15	113.3969	2.208	100	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-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]HH)(N[5]C[5]S)(H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]S)(H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(H)2{1|S<3>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|S<3>,4|H<1>}	111.6990	0.000	1	111.6990	0.000	1	112.8497	4.307	15	113.3969	2.208	100	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-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]HH)(N[5]S[5]C)(H)	C[5](C[5]C[6a]N[5]H)(N[5]S[5]C)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]S[5]C)(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[5](C[5]C[6a]N[5]H)(N[5]S[5]C)(H)2{1|C<4>,2|C<3>,2|O<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<3>,1|C<4>,1|N<3>,1|S<4>,3|H<1>}	106.8840	0.000	1	106.8840	0.000	1	112.8497	4.307	15	113.3969	2.208	100	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:2:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:O-2: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]N[5]C)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(OH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(OH)(H){1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	111.0370	0.000	1	111.0370	0.000	1	111.0370	0.000	1	111.0370	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:2:1:	4:3:3:	C[5,6]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H)	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,6])(H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|O<2>,3|H<1>,4|C<3>}	113.5000	0.000	2	113.5000	0.000	2	113.5000	0.000	2	115.9787	5.817	10	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:2:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:O[5]-2: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]O[5]H)(C[6a]C[6a]2)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H){1|H<1>,2|C<4>,6|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,6a])(H){2|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,3|O<2>,4|C<3>}	116.8125	0.886	4	116.8125	0.784	4	116.6332	0.749	5	115.9787	5.817	10	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:2:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:O[5]-2: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]O[5]H)(C[6a]C[6a]2)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H){3|H<1>,6|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,6a])(H){2|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|O<2>,3|H<1>,4|C<3>}	115.9160	0.000	1	115.9160	0.000	1	116.6332	0.749	5	115.9787	5.817	10	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:2:1:	4:3:3:	N[5,5]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H)	C[5](C[5]N[5,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,1|S<2>,4|C<3>,4|H<1>}	C[5](C[5]N[5,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	117.3235	5.505	2	116.5403	16.992	3	116.5403	16.992	3	115.9787	5.817	10	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:2:1:	4:3:3:	N[5,5]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H)	C[5](C[5]N[5,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[5](C[5]N[5,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	114.9740	0.000	1	116.5403	16.992	3	116.5403	16.992	3	115.9787	5.817	10	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:2:2:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-2:C-2:	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)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CN)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C)(H){1|Cl<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CN)2{1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]C[5]2H){2|C<2>,2|H<1>,4|C<3>}	113.3470	0.000	1	113.3470	0.000	1	113.3470	0.000	1	113.3470	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:2:4:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[5a]-3:O[5]-2:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]O[5]C)(C[6a]C[6a]2)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5a]C[5a]S[5a])(O[5]C[5,6a])(CH3)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]O[5]C)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,1|S<2>,2|H<1>,4|C<3>}	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[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	114.2050	0.000	1	114.2050	0.000	1	114.2050	0.000	1	114.2050	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3: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]C)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C)(H){2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(CC[6a]O)(H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){3|H<1>,5|C<3>}	110.9460	0.000	1	110.9460	0.000	1	111.7925	1.433	2	113.2657	3.068	7	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3: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]N[5]N)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]C)(CCH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]N)(H){2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]C)(CCH)(H){1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	112.6390	0.000	1	112.6390	0.000	1	111.7925	1.433	2	113.2657	3.068	7	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]2)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]2)(H){1|O<2>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,3|H<1>,4|C<3>}	111.4690	0.000	1	111.4690	0.000	1	113.8550	2.725	5	113.2657	3.068	7	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]C)(H){2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(CC[6a]O)(H){6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,3|H<1>,4|C<3>}	112.8730	0.000	1	112.8730	0.000	1	113.8550	2.725	5	113.2657	3.068	7	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(CCC)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]H)(H){1|S<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(CCC)(H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,3|C<3>,4|H<1>}	115.0145	0.674	2	115.0145	0.454	2	113.8550	2.725	5	113.2657	3.068	7	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]N[5]C)(H)	C[5](C[5]C[6a]C[5]H)(N[5]N[5]H)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]N[5]C)(H){2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]N[5]H)(CC[6a]O)(H){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	114.9040	0.000	1	114.9040	0.000	1	113.8550	2.725	5	113.2657	3.068	7	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:3:1:	3:4:2:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5a,6a]-3:C[5]-4:N[6a]-2:	C[5](C[6a]C[5a,6a]N[6a])(C[5]N[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]C[5]2H)(N[6a]C[6a])	C[5](C[6a]C[5a,6a]N[6a])(C[5]N[5]CH)(C[5]C[5]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]C[5]2H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,7|C<3>}	113.5110	0.000	1	113.5110	0.000	1	113.5110	0.000	1	113.5110	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:3:1:	4:2:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:N[6a]-2:C[6a]-3:	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5]H)(N[6a]C[6a,6a])(C[6a]N[6a]N)	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(H){1|N<2>,1|N<3>,6|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|N<2>,2|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5]H)(N[6a]C[6a,6a])(C[6a]N[6a]N){1|H<1>,1|N<2>,5|C<3>}	109.7070	0.000	1	109.7070	0.000	1	109.7070	0.000	1	109.7070	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-3:C-3:Cl-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]ClC)(C[6a]C[6a]2)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(COO)(Cl)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]ClC)(C[6a]C[6a]2)(H){1|O<1>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(COO)(Cl){4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|Cl<1>,2|H<1>,5|C<3>}	114.9470	0.000	1	114.9470	0.000	1	114.9470	0.000	1	115.0247	1.413	14	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-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[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]C)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|H<1>,1|O<1>,2|C<4>,6|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]C)2{3|H<1>,5|C<3>}	117.6720	0.000	1	117.6720	0.000	1	115.3270	10.998	2	115.0247	1.413	14	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-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[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,3|H<1>,6|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	112.9820	0.000	1	112.9820	0.000	1	115.3270	10.998	2	115.0247	1.413	14	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:3:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-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]CH)(N[5]C[5]H)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(CNO)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(CNO)(H){1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,3|H<1>,4|C<3>}	113.4010	0.000	1	113.4010	0.000	1	114.6587	0.776	6	115.0247	1.413	14	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:3:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-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]CH)(N[5]C[5]S)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(CNO)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(CNO)(H){1|S<3>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|S<3>,3|C<3>,3|H<1>}	114.9102	0.704	5	114.9102	0.496	5	114.6587	0.776	6	115.0247	1.413	14	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:3:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]N[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]N[5]C)(NHS)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]N[5]C)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]N[5]C)(NHS)(H){1|C<4>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	115.9760	0.000	1	115.9760	0.000	1	115.9760	0.000	1	115.0247	1.413	14	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:3:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-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]CH)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(COO)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]C[5]C)(H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(COO)(H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	115.2090	0.000	1	115.2090	0.000	1	114.8180	0.306	2	115.0247	1.413	14	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:3:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-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]CH)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(COO)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]C[5]C)(H){3|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(COO)(H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	114.4270	0.000	1	114.4270	0.000	1	114.8180	0.306	2	115.0247	1.413	14	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:3:1:	4:3:3:	N[5,5]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5,5]N[5,5]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(C[6a]C[6a]2)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,5]N[5,5]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,3|H<1>,6|C<3>}	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(C[6a]C[6a]2)(H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	115.0640	0.000	1	115.0640	0.000	1	115.0640	0.000	1	115.0247	1.413	14	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:3:1:	4:3:3:	N[5,6]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5,6]C[5,6]C[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[5](C[5]N[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,6]H)(H)	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,6|C<3>}	C[5](C[5]N[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,6]H)(H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	116.1170	0.000	1	116.1170	0.000	1	116.1170	0.000	1	115.0247	1.413	14	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:3:2:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]S)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]N)(CNS)(CN)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]S)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]N)(CNS)(CN){1|C<4>,1|S<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,1|N<3>,1|S<1>,2|H<1>,3|C<3>}	115.2930	0.000	1	115.2930	0.000	1	115.2930	0.000	1	115.2930	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:3:3:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:N[5]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(COO)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]C[5]C)(H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(COO)2{1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,2|H<1>,5|C<3>}	117.4700	0.000	1	117.4700	0.000	1	116.1020	3.743	2	116.1020	3.743	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:3:3:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:N[5]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(COO)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]C[5]C)(H){1|F<1>,1|S<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(COO)2{1|F<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,2|H<1>,5|C<3>}	114.7340	0.000	1	114.7340	0.000	1	116.1020	3.743	2	116.1020	3.743	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:4:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-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]CH)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCCH)(H){2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<4>,3|C<3>,3|H<1>}	113.3980	0.000	1	113.3980	0.000	1	113.7137	3.097	6	113.9224	4.680	9	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:4:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-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]CH)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)(H){2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<4>,3|C<3>,3|H<1>}	111.8750	0.915	2	111.8750	0.837	2	113.7137	3.097	6	113.9224	4.680	9	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:4:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-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]CH)(C[5]C[5]N)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]N)(H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)(H){1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	113.8460	0.000	1	113.8460	0.000	1	113.7137	3.097	6	113.9224	4.680	9	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:4:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-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]CH)(C[5]N[5]O)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CC[6a]CH)(H){1|C<4>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	115.6440	0.563	2	115.6440	0.317	2	113.7137	3.097	6	113.9224	4.680	9	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:4:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a,6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]O[5]O)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]O[5]O)(H){3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	118.0260	0.000	1	118.0260	0.000	1	118.0260	0.000	1	113.9224	4.680	9	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:4:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]N[5]C)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(CCHH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]N[5]C)(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(CCHH)(H){5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	113.1270	0.000	1	113.1270	0.000	1	112.4970	0.794	2	113.9224	4.680	9	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:4:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]N[5]C)(H)	C[5](C[5]C[6a]C[5]H)(N[5]N[5]H)(CF3)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]N[5]C)(H){2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]N[5]H)(CF3)(H){3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	111.8670	0.000	1	111.8670	0.000	1	112.4970	0.794	2	113.9224	4.680	9	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:4:1:	4:3:3:	C[5,6]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-3:C-4:Br-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]BrC)(C[6a]C[6a]2)(H)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CH3)(Br)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]BrC)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CH3)(Br){1|C<4>,1|O<2>,2|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|Br<1>,2|C<4>,2|H<1>,3|C<3>}	115.1030	0.000	1	115.1030	0.000	1	115.1030	0.000	1	115.0358	1.558	9	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:4:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-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]CH)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(CH3)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(CH3)(H){1|O<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	115.5440	0.858	5	115.5440	0.736	5	115.0274	1.780	8	115.0358	1.558	9	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:4:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-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]CH)(N[5]S[5]H)(H)	C[5](C[5]C[6a]N[5]H)(N[5]S[5]C)(CC[6a]HH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]S[5]H)(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[5](C[5]C[6a]N[5]H)(N[5]S[5]C)(CC[6a]HH)(H){1|H<1>,2|C<3>,2|O<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|S<4>,4|H<1>}	113.2100	0.687	2	113.2100	0.472	2	115.0274	1.780	8	115.0358	1.558	9	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:4:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-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]CH)(N[5]S[5]H)(H)	C[5](C[5]C[6a]N[5]H)(N[5]S[5]H)(CCCH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]S[5]H)(H){2|C<3>,2|O<1>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(N[5]S[5]H)(CCCH)(H){1|H<1>,2|C<3>,2|O<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|S<4>,4|H<1>}	116.0790	0.000	1	116.0790	0.000	1	115.0274	1.780	8	115.0358	1.558	9	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:4:2:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:N[5]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CO)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]O)(CC[6a]HH)(OH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]N[5]CO)(C[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]O)(CC[6a]HH)(OH){1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	112.0670	0.000	1	112.0670	0.000	1	112.0670	0.000	1	112.0670	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:4:2:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:C-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]S)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(CCHH)(CN)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]S)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(CCHH)(CN){1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<2>,1|H<1>,1|S<4>,2|C<3>,3|C<4>}	114.7990	0.000	1	114.7990	0.000	1	114.7990	0.000	1	116.0240	3.001	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:4:2:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CO)(N[5]C[5]O)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(CC[6a]HH)(OH)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CO)(N[5]C[5]O)(H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(CC[6a]HH)(OH){1|C<4>,1|O<1>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	117.2490	0.000	1	117.2490	0.000	1	117.2490	0.000	1	116.0240	3.001	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:4:3:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:C-3:	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)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(CC[6a]HH)(COO)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C)(H){2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(CC[6a]HH)(COO){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,2|H<1>,5|C<3>}	115.0820	0.000	2	115.0820	0.000	2	115.4880	0.495	3	115.4892	3.141	6	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:4:3:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:C-3:	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)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)(COO)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)(COO){1|C<4>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<4>,2|H<1>,4|C<3>}	116.3000	0.000	1	116.3000	0.000	1	115.4880	0.495	3	115.4892	3.141	6	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:4:3:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(CH3)(CNO)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]C[5]C)(H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(CH3)(CNO){4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	114.0030	0.000	1	114.0030	0.000	1	115.4903	7.357	3	115.4892	3.141	6	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:4:3:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CCHH)(COO)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]C[5]C)(H){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CCHH)(COO){1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	118.6210	0.000	1	118.6210	0.000	1	115.4903	7.357	3	115.4892	3.141	6	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:4:3:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(CH3)(CNO)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]C[5]C)(H){2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(CH3)(CNO){6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	113.8470	0.000	1	113.8470	0.000	1	115.4903	7.357	3	115.4892	3.141	6	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:4:3:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]S)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(CSnHH)(COO)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]S)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(CSnHH)(COO){1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|S<4>,2|C<4>,2|H<1>,3|C<3>}	115.8335	1.804	2	115.8335	3.254	2	115.8335	3.254	2	117.1639	2.098	8	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:4:3:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:N-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(N[5]O[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]O[5]O)(CC[6a]HH)(NCH)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(N[5]O[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]O[5]O)(CC[6a]HH)(NCH){1|C<4>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	117.6073	1.158	6	117.6073	1.342	6	117.6073	1.342	6	117.1639	2.098	8	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:3:4:4:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]N[5]C)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(CCHH)(CH3)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]N[5]C)(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(CCHH)(CH3){5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<2>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	114.5260	0.047	2	114.5260	0.002	2	114.5260	0.002	2	114.5260	0.002	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-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]C)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H){1|N<3>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)2{1|C<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	113.3960	0.000	1	113.3960	0.000	1	114.6583	4.962	13	114.6583	4.962	13	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-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]C)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)2{1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,3|C<3>,4|H<1>}	113.8330	0.000	1	113.4087	0.741	3	114.6583	4.962	13	114.6583	4.962	13	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-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]C)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H){1|N<3>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)2{1|C<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,1|C<4>,2|C<3>,4|H<1>}	113.1965	1.101	2	113.4087	0.741	3	114.6583	4.962	13	114.6583	4.962	13	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-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]C)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]FF)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H){1|O<2>,2|C<3>,2|F<1>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]FF)(H)2{1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,3|C<3>,4|H<1>}	112.3670	0.000	1	112.3670	0.000	1	114.6583	4.962	13	114.6583	4.962	13	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-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]C)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,3|C<3>,4|H<1>}	111.5360	0.000	1	111.5360	0.000	1	114.6583	4.962	13	114.6583	4.962	13	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-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]H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H)(H){1|O<2>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(H)2{1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,2|C<3>,5|H<1>}	112.6320	0.000	1	112.6320	0.000	1	114.6583	4.962	13	114.6583	4.962	13	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-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)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	118.5020	0.000	1	118.5020	0.000	1	114.6583	4.962	13	114.6583	4.962	13	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-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)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	C[6a](C[6a]C[6a]O)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(H){2|C<3>,2|O<2>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]O)2(C[5]C[5]2H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	116.7550	0.000	1	116.7550	0.000	1	114.6583	4.962	13	114.6583	4.962	13	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-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]O)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]C)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O)(H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]C)(H)2{1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	116.7335	0.233	2	116.7335	0.054	2	114.6583	4.962	13	114.6583	4.962	13	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-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]O)(H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]CH)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]O[5]CH)(H)2{1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	114.8240	0.000	1	114.8240	0.000	1	114.6583	4.962	13	114.6583	4.962	13	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-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]O)(H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O)(H){2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(H)2{1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	116.8530	0.000	1	116.8530	0.000	1	114.6583	4.962	13	114.6583	4.962	13	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:1:1:	3:4:2:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[6a,6a]-3:C[5]-4:N[6a]-2:	C[5](C[6a]C[6a,6a]N[6a])(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(N[6a]C[6a,6a])	C[5](C[6a]C[6a,6a]N[6a])(C[5]C[5]HH)(N[5]C[5]C)(H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(N[6a]C[6a,6a]){2|C<4>,3|H<1>,5|C<3>}	111.9610	0.000	1	111.9610	0.000	1	111.9610	0.000	1	111.9610	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:1:1:	3:4:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(N[5]C[5]C)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	111.5040	0.000	1	111.5040	0.000	1	111.5040	0.000	1	111.5040	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6,6a]C[6,6a])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6,6a]C[6]C)(C[5]C[5,6a]C[6a]H)(H)2	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6,6a]C[6,6a])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){2|H<1>,3|C<4>,4|C<3>}	C[5](C[5,6]C[5,6,6a]C[6]C)(C[5]C[5,6a]C[6a]H)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	113.0840	0.000	1	113.0840	0.000	1	113.2973	0.983	3	113.7809	3.707	123	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]C[6a]H)(H)2	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]C[6a]H)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	112.4300	0.000	1	112.4300	0.000	1	113.2973	0.983	3	113.7809	3.707	123	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5,6]-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[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[6a]H)(H)2	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[6a]H)(H)2{2|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	114.3780	0.000	1	114.3780	0.000	1	113.2973	0.983	3	113.7809	3.707	123	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-4:Br-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[5]BrH)(C[6a]C[6a]2)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(Br)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(Br)(H){4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<4>,3|C<3>,3|H<1>}	112.5980	0.000	1	112.5980	0.000	1	112.5980	0.000	1	113.7809	3.707	123	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-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]2)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]2)(H){1|C<4>,1|N<2>,3|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	112.4650	0.037	2	112.4650	0.001	2	113.8152	3.433	88	113.7809	3.707	123	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-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)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(H)2{1|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	113.4330	0.278	3	113.4330	0.077	3	113.8152	3.433	88	113.7809	3.707	123	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-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)(H)	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]N[5]H)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]N[5]H)(H)2{1|C<4>,1|O<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	113.9550	0.000	1	113.9550	0.000	1	113.8152	3.433	88	113.7809	3.707	123	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-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)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){3|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	113.2560	0.000	1	113.2560	0.000	1	113.8152	3.433	88	113.7809	3.707	123	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-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)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	113.8300	0.000	1	114.8407	0.206	10	113.8152	3.433	88	113.7809	3.707	123	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-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)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|N<3>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H)2{1|C<4>,1|N<3>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	115.0193	0.347	6	114.8407	0.206	10	113.8152	3.433	88	113.7809	3.707	123	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-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)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	114.9260	0.000	1	114.8407	0.206	10	113.8152	3.433	88	113.7809	3.707	123	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-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)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H)2{2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	114.6720	0.000	1	114.8407	0.206	10	113.8152	3.433	88	113.7809	3.707	123	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-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)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){3|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,4|H<1>}	114.8630	0.000	1	114.8407	0.206	10	113.8152	3.433	88	113.7809	3.707	123	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-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)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CO)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CO)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H){2|C<3>,2|C<4>,3|H<1>}	114.4435	0.804	4	114.4435	0.646	4	113.8152	3.433	88	113.7809	3.707	123	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-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)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CO)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CO)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	114.6243	1.650	4	114.6243	2.722	4	113.8152	3.433	88	113.7809	3.707	123	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-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)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]FF)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<2>,2|C<3>,2|F<1>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]FF)(H)2{1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,4|H<1>}	111.1590	0.554	2	111.1590	0.307	2	113.8152	3.433	88	113.7809	3.707	123	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-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)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|O<1>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	119.2530	0.000	1	118.3360	1.394	3	113.8152	3.433	88	113.7809	3.707	123	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-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)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|O<1>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]2)(C[6a]C[6a]H){2|C<4>,2|H<1>,2|O<2>,4|C<3>}	118.7510	0.000	1	118.3360	1.394	3	113.8152	3.433	88	113.7809	3.707	123	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-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)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]2)(C[6a]C[6a]H){2|C<4>,4|C<3>,4|H<1>}	117.0040	0.000	1	118.3360	1.394	3	113.8152	3.433	88	113.7809	3.707	123	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-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)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]C)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|Br<1>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]C){2|C<3>,2|C<4>,4|H<1>}	113.3870	0.000	1	113.3870	0.000	1	113.8152	3.433	88	113.7809	3.707	123	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-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)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	114.7633	2.094	3	114.7633	4.384	3	113.8152	3.433	88	113.7809	3.707	123	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-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)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	110.6490	0.000	1	110.6490	0.000	1	113.8152	3.433	88	113.7809	3.707	123	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-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)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){2|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)2{2|C<3>,2|C<4>,4|H<1>}	115.5330	0.000	1	115.5330	0.000	1	113.8152	3.433	88	113.7809	3.707	123	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-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)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>,2|O<2>}	112.5680	0.000	1	112.4868	1.102	16	113.8152	3.433	88	113.7809	3.707	123	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-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)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	114.3590	0.000	1	112.4868	1.102	16	113.8152	3.433	88	113.7809	3.707	123	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-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)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){2|C<3>,6|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,4|H<1>}	112.3600	0.000	1	112.4868	1.102	16	113.8152	3.433	88	113.7809	3.707	123	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-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)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){2|C<3>,6|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	112.9677	0.694	3	112.4868	1.102	16	113.8152	3.433	88	113.7809	3.707	123	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-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)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,4|H<1>}	113.5285	0.466	2	112.4868	1.102	16	113.8152	3.433	88	113.7809	3.707	123	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-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)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	110.8710	0.000	1	112.4868	1.102	16	113.8152	3.433	88	113.7809	3.707	123	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-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)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	111.9529	0.852	7	112.4868	1.102	16	113.8152	3.433	88	113.7809	3.707	123	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-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)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HI)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|I<1>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HI)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,4|H<1>}	113.8560	0.000	1	113.8560	0.000	1	113.8152	3.433	88	113.7809	3.707	123	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-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)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	114.1080	0.000	1	114.1080	0.000	1	113.8152	3.433	88	113.7809	3.707	123	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-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]H)(H)	C[5](C[5]C[6a]C[5]C)(C[5]C[6a]N[5]H)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]C)(C[5]C[6a]N[5]H)(H)2{2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,5|H<1>}	115.3157	0.492	3	115.3157	0.242	3	113.8152	3.433	88	113.7809	3.707	123	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-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]H)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]H)(H){1|C<3>,1|N<2>,6|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{2|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,2|C<4>,4|H<1>}	113.0270	0.000	1	113.0270	0.000	1	113.8152	3.433	88	113.7809	3.707	123	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-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]H)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]H)(H){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,5|H<1>}	113.1720	0.496	2	113.1720	0.246	2	113.8152	3.433	88	113.7809	3.707	123	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-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]Ir)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]Ir)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|Ir<8>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Ir<8>,1|C<4>,2|C<3>,4|H<1>}	113.6530	0.000	1	113.6530	0.000	1	113.8152	3.433	88	113.7809	3.707	123	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-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]N)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]N)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	112.1921	2.468	8	112.1921	6.090	8	113.8152	3.433	88	113.7809	3.707	123	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-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]O)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]O)(H){2|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H)2{1|O<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,4|H<1>}	115.1430	0.738	2	115.1430	0.545	2	113.8152	3.433	88	113.7809	3.707	123	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-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]O)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]O)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(H)2{1|O<1>,1|O<2>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	115.0710	0.000	1	115.0710	0.000	1	113.8152	3.433	88	113.7809	3.707	123	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-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]O)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]O)(H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	115.4750	0.000	1	115.4750	0.000	1	113.8152	3.433	88	113.7809	3.707	123	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-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]Rh)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]Rh)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|Rh<8>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Rh<8>,1|C<4>,2|C<3>,4|H<1>}	116.4030	0.000	1	116.4030	0.000	1	113.8152	3.433	88	113.7809	3.707	123	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-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]S)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(H)2{1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,4|H<1>}	115.2030	0.000	1	115.2030	0.000	1	113.8152	3.433	88	113.7809	3.707	123	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-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]S)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CO)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CO)(H)2{1|S<4>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,4|H<1>}	114.7420	0.000	1	114.7420	0.000	1	113.8152	3.433	88	113.7809	3.707	123	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-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]S)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]FH)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H){1|F<1>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]FH)(H)2{1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,4|H<1>}	113.9320	1.192	2	113.9320	1.421	2	113.8152	3.433	88	113.7809	3.707	123	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-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]S)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H){1|F<1>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<3>,1|F<1>,1|S<4>,2|C<4>,3|H<1>}	113.5090	0.000	1	113.5090	0.000	1	113.8152	3.433	88	113.7809	3.707	123	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-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]S)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H){1|O<2>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,1|S<4>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,4|H<1>}	113.3390	0.000	1	112.7946	0.102	5	113.8152	3.433	88	113.7809	3.707	123	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-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]S)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H){2|C<3>,6|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|S<3>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|S<3>,2|C<4>,4|H<1>}	112.6487	0.136	3	112.7946	0.102	5	113.8152	3.433	88	113.7809	3.707	123	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-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]S)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H){2|C<3>,6|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,4|H<1>}	112.6880	0.000	1	112.7946	0.102	5	113.8152	3.433	88	113.7809	3.707	123	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-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]N[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]N[5]HH)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]N[5]HH)(H)2{1|C<4>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	114.3460	0.000	1	114.3460	0.000	1	113.8152	3.433	88	113.7809	3.707	123	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-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]N[5]S)(H)	C[5](C[5]C[6a]N[5]H)(C[5]N[5]HH)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]S)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]N[5]HH)(H)2{1|S<4>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|S<4>,4|H<1>}	115.6630	0.000	1	115.6630	0.000	1	113.8152	3.433	88	113.7809	3.707	123	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-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]O[5]H)(H)	C[5](C[5]C[6a]N[5]H)(C[5]O[5]CO)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5]H)(H){1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]O[5]CO)(H)2{1|H<1>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,5|H<1>}	117.9150	0.000	1	117.9150	0.000	1	113.8152	3.433	88	113.7809	3.707	123	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-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]S[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]S[5]HH)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]S[5]C)(H){2|C<3>,2|O<1>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]S[5]HH)(H)2{1|C<4>,2|C<3>,2|O<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,4|H<1>}	112.7230	0.000	1	112.7230	0.000	1	113.8152	3.433	88	113.7809	3.707	123	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:P[5]-3:H-1:	C[5]-4:C[5]-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)(P[5]C[5]2)(H)	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]C[5]2)(H){1|Fe<10>,2|C<4>,3|C<3>,5|H<1>}	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,4|H<1>}	114.4383	2.775	4	114.4383	7.698	4	114.7454	6.070	8	113.7809	3.707	123	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:P[5]-3:H-1:	C[5]-4:C[5]-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)(P[5]C[5]C)(H)	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]C[5]C)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,4|H<1>}	115.0525	2.493	4	115.0525	6.214	4	114.7454	6.070	8	113.7809	3.707	123	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:1:1:	4:3:3:	N[5,6]-3:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]C[6a]H)(H)2	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]F)	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|Cl<1>,1|C<4>,1|F<1>,1|H<1>,4|C<3>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]C[6a]H)(H)2{2|H<1>,4|C<3>}	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]F){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	115.9225	0.384	2	115.9225	0.147	2	114.2285	2.714	17	113.7809	3.707	123	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:1:1:	4:3:3:	N[5,6]-3:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]C[6a]H)(H)2	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]C[6a]H)(H)2{2|H<1>,4|C<3>}	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	113.1225	0.418	2	113.1225	0.175	2	114.2285	2.714	17	113.7809	3.707	123	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:1:1:	4:3:3:	N[5,6]-3:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]C[6a]H)(H)2	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]C[6a]H)(H)2{2|H<1>,4|C<3>}	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	114.3490	1.702	11	114.1381	2.901	13	114.2285	2.714	17	113.7809	3.707	123	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:1:1:	4:3:3:	N[5,6]-3:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]C[6a]H)(H)2	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]C[6a]H)(H)2{2|H<1>,4|C<3>}	C[6a](C[5]N[5,6]C[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	112.9780	1.633	2	114.1381	2.901	13	114.2285	2.714	17	113.7809	3.707	123	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:1:1:	4:3:3:	N[5]-3:C[5]-4:C[6a]-3:H-1:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5]C[4,5]C[6a])(C[5]C[4,5]HH)(C[6a]C[6a]2)(H)	C[5](C[4,5]C[4,5,6]C[4,5]H)(C[5]C[6a]N[5]H)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[4,5]C[6a])(C[5]C[4,5]HH)(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,4|H<1>}	C[5](C[4,5]C[4,5,6]C[4,5]H)(C[5]C[6a]N[5]H)(H)2{1|H<1>,2|C<4>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	108.4710	0.000	1	108.4710	0.000	1	109.6235	2.657	2	113.7809	3.707	123	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:1:1:	4:3:3:	N[5]-3:C[5]-4:C[6a]-3:H-1:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5]C[4,5]C[6a])(C[5]C[4,5]HH)(C[6a]C[6a]2)(H)	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[6a]N[5]H)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[4,5]C[6a])(C[5]C[4,5]HH)(C[6a]C[6a]2)(H){4|H<1>,6|C<3>}	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[6a]N[5]H)(H)2{1|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	110.7760	0.000	1	110.7760	0.000	1	109.6235	2.657	2	113.7809	3.707	123	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:1:1:	4:3:3:	N[5]-3:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]N[5]H)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){2|H<1>,8|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]N[5]H)(H)2{1|N<3>,1|O<1>,7|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	111.5260	0.000	1	111.5260	0.000	1	112.2333	0.378	3	113.7809	3.707	123	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:1:1:	4:3:3:	N[5]-3:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5]C[6a]O[5])(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[6a]N[5]H)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]O[5])(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[6a]N[5]H)(H)2{6|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	112.6430	0.000	1	112.6430	0.000	1	112.2333	0.378	3	113.7809	3.707	123	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:1:1:	4:3:3:	N[5]-3:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5]C[6a]O[5])(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[6a]N[5]H)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[6a]O[5])(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[6a]N[5]H)(H)2{3|C<4>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	112.5310	0.000	1	112.5310	0.000	1	112.2333	0.378	3	113.7809	3.707	123	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:1:1:	4:3:3:	N[5]-3:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5]H)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,5|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5]H)(H)2{1|N<2>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	111.0330	0.000	1	111.0330	0.000	1	111.0330	0.000	1	113.7809	3.707	123	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:2:1:	3:3:4:	C[5]-3:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[6a]C[5]H)(OC)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]2)(H){2|H<1>,2|O<2>,5|C<3>}	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[6a]C[5]H)(OC)(H){5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	114.5710	0.000	1	114.5710	0.000	1	114.5710	0.000	1	114.5370	0.002	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:2:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:O-2: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]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)2(OH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]C[5]C)(H){3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)2(OH)(H){1|C<2>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,1|C<4>,1|O<2>,2|C<3>,3|H<1>}	114.5030	0.000	1	114.5030	0.000	1	114.5030	0.000	1	114.5370	0.002	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:2:1:	4:3:2:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-2:H-1:	C[5]-4:C[6a]-3:N[6a]-2:	C[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(N[5]C[5]H)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CN)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(N[5]C[5]H)(H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CN)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,1|C<3>,2|C<4>,4|H<1>}	114.7480	0.000	1	114.7480	0.000	1	114.7480	0.000	1	114.7480	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:2:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[3,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]HO)(C[6a]C[6a]2)(H)	C[5](C[3,5]C[5,6a]C[3]2)(C[5]C[5,6a]C[6a]H)(OH)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]HO)(C[6a]C[6a]2)(H){1|C<2>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[3,5]C[5,6a]C[3]2)(C[5]C[5,6a]C[6a]H)(OH)(H){4|C<3>,4|H<1>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	112.5470	1.653	2	112.5470	2.733	2	112.5470	2.733	2	113.9073	2.906	21	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:2:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]S[5]C)(H)	C[5](C[5]C[6a]N[5]H)(CC[6a]HH)(O[5]S[5])(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]S[5]C)(H){2|C<3>,2|H<1>,2|O<1>}	C[5](C[5]C[6a]N[5]H)(CC[6a]HH)(O[5]S[5])(H){2|O<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,1|S<4>,2|C<3>,3|H<1>}	115.2970	0.000	1	115.2970	0.000	1	115.2970	0.000	1	113.9073	2.906	21	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:2:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-2: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]H)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CN)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CN)(H){2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<2>,1|C<3>,2|C<4>,4|H<1>}	116.7210	0.000	1	116.7210	0.000	1	116.1885	0.567	2	113.9073	2.906	21	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:2:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-2: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)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CN)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CN)(H){1|C<4>,1|S<4>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|S<4>,2|C<4>,3|H<1>}	115.6560	0.000	1	115.6560	0.000	1	116.1885	0.567	2	113.9073	2.906	21	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:2:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(OC)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(OC)(H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	111.9000	0.000	1	111.9000	0.000	1	113.7054	2.542	16	113.9073	2.906	21	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:2:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(OH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(OH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	114.7870	0.000	1	114.7870	0.000	1	113.7054	2.542	16	113.9073	2.906	21	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:2:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OC)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OC)(H){1|C<4>,1|O<1>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	113.6710	0.779	2	113.6710	0.607	2	113.7054	2.542	16	113.9073	2.906	21	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:2:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OSi)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OSi)(H){1|O<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	111.9650	0.000	1	113.1275	2.703	2	113.7054	2.542	16	113.9073	2.906	21	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:2:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OSi)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H){2|C<3>,6|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OSi)(H){2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	114.2900	0.000	1	113.1275	2.703	2	113.7054	2.542	16	113.9073	2.906	21	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:2:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(OC)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H){1|O<2>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(OC)(H){2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	111.8900	0.000	1	111.8900	0.000	1	113.7054	2.542	16	113.9073	2.906	21	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:2:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(OH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(OH)(H){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	113.5360	0.000	1	113.5360	0.000	1	113.7054	2.542	16	113.9073	2.906	21	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:2:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]H)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]H)(H){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OH)(H){1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	115.3330	1.115	5	115.3330	1.243	5	113.7054	2.542	16	113.9073	2.906	21	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:2:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]S)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OC)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]S)(H){2|C<3>,6|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OC)(H){1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,1|S<4>,2|C<4>,3|H<1>}	111.1650	0.000	1	111.1650	0.000	1	113.7054	2.542	16	113.9073	2.906	21	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:2:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]S)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]S)(H){2|C<3>,6|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OH)(H){1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,1|S<4>,2|C<4>,3|H<1>}	113.2810	0.000	1	113.2810	0.000	1	113.7054	2.542	16	113.9073	2.906	21	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:2:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]O[5]S)(H)	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HH)(OC)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]O[5]S)(H){2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HH)(OC)(H){1|S<4>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|S<4>,2|O<2>,3|H<1>}	112.4650	0.000	1	112.4650	0.000	1	113.7054	2.542	16	113.9073	2.906	21	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:2:2:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-2:C-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]S)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CN)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]S)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CN)2{1|H<1>,1|S<4>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<2>,2|C<4>,2|H<1>}	112.3760	0.000	1	112.3760	0.000	1	112.3760	0.000	1	114.1150	6.048	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:2:2:	4:3:3:	N[5,5]-3:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C-2:C-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]CC)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]C[6a]H)(CN)2	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]CC)(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,5|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]C[6a]H)(CN)2{1|H<1>,2|C<4>,4|C<3>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<2>,2|H<1>,3|C<4>}	115.8540	0.000	1	115.8540	0.000	1	115.8540	0.000	1	114.1150	6.048	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:2:3:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:S-2:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CS)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(SC[6a])(CNO)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]CS)(N[5]C[5]C)(H){1|Br<1>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(SC[6a])(CNO){1|C<4>,1|O<1>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|S<2>,2|C<4>,2|H<1>,3|C<3>}	117.5860	0.000	1	117.5860	0.000	1	117.5860	0.000	1	117.5860	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:3:1:	3:3:4:	C[5]-3:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]C[5])(C[5]C[5,6]CH)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5]S[6]2)(C[5]C[6a]C[5]H)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5])(C[5]C[5,6]CH)(C[6a]C[6a]2)(H){2|S<2>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5]S[6]2)(C[5]C[6a]C[5]H)(CC[6a]O)(H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,3|H<1>,4|C<3>}	111.7610	0.000	1	111.7610	0.000	1	111.7610	0.000	1	113.9694	4.063	16	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:C-3: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]C)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[3]C[5]H)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C)(H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[3]C[5]H)(CC[6a]O)(H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,3|H<1>,4|C<3>}	112.9940	0.000	1	112.9940	0.000	1	115.6077	5.253	6	113.9694	4.063	16	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:C-3: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]H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]H)(H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[6a]O)(H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,3|C<3>,4|H<1>}	116.3620	0.669	2	116.3620	0.447	2	115.6077	5.253	6	113.9694	4.063	16	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:C-3: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]O)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O)(H){2|C<3>,6|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]O)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	116.1540	0.000	1	116.1540	0.000	1	115.6077	5.253	6	113.9694	4.063	16	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:C-3: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]O[5]O)(H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]CH)(COO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]O[5]O)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]O[5]CH)(COO)(H){1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	118.8360	0.000	1	118.8360	0.000	1	115.6077	5.253	6	113.9694	4.063	16	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:C-3: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]S[5]C)(H)	C[5](C[5]C[6a]C[5]H)(C[5]S[5]HH)(COO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]S[5]C)(H){2|C<3>,2|O<1>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]S[5]HH)(COO)(H){2|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	112.9380	0.000	1	112.9380	0.000	1	115.6077	5.253	6	113.9694	4.063	16	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[6a,6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HN)(C[5]C[5]H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(NCO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HN)(C[5]C[5]H)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(NCO)(H){2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	113.2940	0.328	2	113.2940	0.108	2	113.2940	0.108	2	113.9694	4.063	16	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:N-3: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]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(NOO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]C)(H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(NOO)(H){4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|H<1>,1|N<3>,2|O<2>,3|C<3>}	112.2565	0.878	2	112.5190	0.384	4	113.0736	1.177	7	113.9694	4.063	16	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:N-3: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]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(NOO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]C)(H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(NOO)(H){4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	112.7815	0.327	2	112.5190	0.384	4	113.0736	1.177	7	113.9694	4.063	16	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:N-3: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]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CO)(NOO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]C)(H){1|O<2>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CO)(NOO)(H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	113.2690	0.000	1	113.2690	0.000	1	113.0736	1.177	7	113.9694	4.063	16	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:N-3: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]C[5]H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(NCN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]H)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(NCN)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	115.2240	0.000	1	115.2240	0.000	1	113.0736	1.177	7	113.9694	4.063	16	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:N-3: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]C[5]H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(NCN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]H)(H){1|N<3>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(NCN)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	112.9460	0.000	1	112.9460	0.000	1	113.0736	1.177	7	113.9694	4.063	16	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:3:1:	4:3:2:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:N[6a]-2:	C[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(N[5]C[5]H)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HS)(COO)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(N[5]C[5]H)(H){1|S<4>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HS)(COO)(H){1|C<3>,1|N<2>,3|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|C<4>,4|H<1>}	112.3990	0.000	1	112.3990	0.000	1	112.3990	0.000	1	112.3990	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:3:1:	4:3:3:	C[5,5a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]HH)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|S<4>,4|H<1>,6|C<3>}	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]HH)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	111.6680	0.000	1	111.6680	0.000	1	111.8720	0.083	2	114.5696	3.372	81	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:3:1:	4:3:3:	C[5,5a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[5]C[5,5a]C[5a]H)(C[5]C[5,5a]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,3|H<1>,7|C<3>}	C[5](C[5]C[5,5a]C[5a]H)(C[5]C[5,5a]C[6a]H)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,7|C<3>}	C[6a](C[5]C[5,5a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	112.0760	0.000	1	112.0760	0.000	1	111.8720	0.083	2	114.5696	3.372	81	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,5,6]C[5,6]C)(C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[5](C[5,6]C[5,5,6]C[5,6]C)(C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(H){1|C<4>,2|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	116.6900	0.000	1	115.9550	0.655	3	115.9550	0.655	3	114.5696	3.372	81	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,5,6]C[5,6]C)(C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[5](C[5,6]C[5,5,6]C[5,6]C)(C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(H){2|C<4>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	115.5875	0.706	2	115.9550	0.655	3	115.9550	0.655	3	114.5696	3.372	81	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,7|C<3>}	C[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	113.1630	0.000	1	113.1630	0.000	1	113.1630	0.000	1	114.5696	3.372	81	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-4: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[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,6|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	114.1263	0.698	3	114.0405	0.354	4	113.2015	1.905	6	114.5696	3.372	81	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-4: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[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|O<2>,3|H<1>,7|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	113.7830	0.000	1	114.0405	0.354	4	113.2015	1.905	6	114.5696	3.372	81	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-4: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[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	111.5235	0.135	2	111.5235	0.018	2	113.2015	1.905	6	114.5696	3.372	81	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:3:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3: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]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(COO)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(COO)(H){1|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	113.7173	1.594	3	113.7173	2.540	3	114.8149	2.495	57	114.5696	3.372	81	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:3:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3: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]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(H){1|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	115.4170	0.000	1	115.4170	0.000	1	114.8149	2.495	57	114.5696	3.372	81	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:3:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3: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]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(H){1|C<4>,1|O<1>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	115.2792	0.981	10	115.2792	0.963	10	114.8149	2.495	57	114.5696	3.372	81	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:3:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3: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]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(COO)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(COO)(H){1|C<4>,1|O<1>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	114.2712	0.429	4	114.2712	0.184	4	114.8149	2.495	57	114.5696	3.372	81	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:3:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3: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]H)(H)	C[5](C[5]C[6a]C[5]F)(C[5]C[6a]N[5]H)(COO)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){1|F<1>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]F)(C[5]C[6a]N[5]H)(COO)(H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	116.5860	0.000	1	116.5860	0.000	1	114.8149	2.495	57	114.5696	3.372	81	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:3:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3: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]H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CCO)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CCO)(H){1|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	116.5060	0.000	1	115.3235	2.797	2	114.8149	2.495	57	114.5696	3.372	81	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:3:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3: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]H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CCO)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CCO)(H){2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	114.1410	0.000	1	115.3235	2.797	2	114.8149	2.495	57	114.5696	3.372	81	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:3:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3: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]H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CC[6a]O)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CC[6a]O)(H){1|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	115.7015	1.532	2	116.6068	2.757	4	114.8149	2.495	57	114.5696	3.372	81	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:3:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3: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]H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CC[6a]O)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CC[6a]O)(H){2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	117.5120	1.626	2	116.6068	2.757	4	114.8149	2.495	57	114.5696	3.372	81	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:3:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3: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]H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CN[5]O)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CN[5]O)(H){2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	116.3490	0.000	1	116.3490	0.000	1	114.8149	2.495	57	114.5696	3.372	81	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:3:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3: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]H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CN[5a]O)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CN[5a]O)(H){2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	114.0183	0.681	3	114.0183	0.464	3	114.8149	2.495	57	114.5696	3.372	81	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:3:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3: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]H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(COO)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(COO)(H){2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	114.4610	0.000	1	114.4610	0.000	1	114.8149	2.495	57	114.5696	3.372	81	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:3:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3: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]H)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(CC[6a]O)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){2|H<1>,3|C<3>,3|C<4>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(CC[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	114.9735	1.696	2	114.9735	2.878	2	114.8149	2.495	57	114.5696	3.372	81	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:3:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3: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]H)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CCO)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CCO)(H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	115.5330	0.000	2	115.5330	0.000	2	114.8149	2.495	57	114.5696	3.372	81	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:3:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3: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]H)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(COO)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){3|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(COO)(H){1|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	114.4323	0.692	3	114.2245	0.492	4	114.8149	2.495	57	114.5696	3.372	81	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:3:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3: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]H)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(COO)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){4|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(COO)(H){2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	113.6010	0.000	1	114.2245	0.492	4	114.8149	2.495	57	114.5696	3.372	81	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:3:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3: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]H)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CCO)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){1|N<3>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CCO)(H){1|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,2|C<4>,4|H<1>}	116.3780	0.000	1	116.3780	0.000	1	114.8149	2.495	57	114.5696	3.372	81	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:3:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3: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]H)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CCO)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){4|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CCO)(H){1|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	114.6850	0.000	1	114.6850	0.000	1	114.8149	2.495	57	114.5696	3.372	81	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:3:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3: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]H)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CN[5]O)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CN[5]O)(H){2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	115.8560	0.000	1	115.8560	0.000	1	114.8149	2.495	57	114.5696	3.372	81	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:3:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3: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]H)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){1|P<4>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(H){1|P<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	114.9270	0.000	1	114.3675	0.626	2	114.8149	2.495	57	114.5696	3.372	81	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:3:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3: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]H)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(H){2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	113.8080	0.000	1	114.3675	0.626	2	114.8149	2.495	57	114.5696	3.372	81	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:3:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3: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]H)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HS)(CCO)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){1|S<4>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HS)(CCO)(H){2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	113.8750	0.000	1	113.8750	0.000	1	114.8149	2.495	57	114.5696	3.372	81	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:3:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3: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]O)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(CC[6a]O)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]O)(H){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(CC[6a]O)(H){1|O<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<1>,3|C<3>,3|H<1>}	116.8300	0.554	4	116.8300	0.307	4	114.8149	2.495	57	114.5696	3.372	81	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:3:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3: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)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H){2|C<3>,6|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(H){1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,2|C<4>,3|H<1>}	111.5345	0.071	2	111.8872	0.490	4	114.8149	2.495	57	114.5696	3.372	81	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:3:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3: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)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(H){1|H<1>,1|S<4>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,2|C<4>,3|H<1>}	112.2400	0.983	2	111.8872	0.490	4	114.8149	2.495	57	114.5696	3.372	81	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:3:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3: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)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HS)(COO)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H){1|C<4>,1|S<2>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HS)(COO)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,2|C<4>,3|H<1>}	110.8930	0.000	1	110.8930	0.000	1	114.8149	2.495	57	114.5696	3.372	81	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:3:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3: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)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]N[5]H)(COO)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H){1|N<3>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]N[5]H)(COO)(H){1|H<1>,1|S<4>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,2|C<4>,3|H<1>}	113.4470	0.000	1	113.4470	0.000	1	114.8149	2.495	57	114.5696	3.372	81	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:3:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3: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)(H)	C[5](C[5]C[6a]N[5]H)(C[5]N[5a]C[5]H)(COO)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H){1|N<3>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]N[5a]C[5]H)(COO)(H){1|H<1>,1|S<4>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,2|C<4>,3|H<1>}	113.9550	0.000	1	113.9550	0.000	1	114.8149	2.495	57	114.5696	3.372	81	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:3:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3: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]O[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]O[5]CH)(COO)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]O[5]C)(H){3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]O[5]CH)(COO)(H){1|C<4>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	115.4385	1.115	2	115.4385	1.243	2	114.8149	2.495	57	114.5696	3.372	81	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:3:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:N-3:F-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]FN)(N[5]C[5]H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(NOO)(F)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]FN)(N[5]C[5]H)(H){4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(NOO)(F){2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|F<1>,1|N<3>,2|C<4>,3|H<1>}	114.8060	0.000	1	114.8060	0.000	1	114.8060	0.000	1	114.5696	3.372	81	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:3:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(NOO)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]C)(H){4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(NOO)(H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	112.7030	0.000	1	114.1133	1.668	3	114.2633	8.108	11	114.5696	3.372	81	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:3:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(NOO)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]C)(H){4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(NOO)(H){1|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	114.8185	0.593	2	114.1133	1.668	3	114.2633	8.108	11	114.5696	3.372	81	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:3:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]H)(H)	C[5](C[5]C[5a]C[5]H)(C[5]C[6a]N[5]H)(NOO)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]H)(H){4|C<3>,4|H<1>}	C[5](C[5]C[5a]C[5]H)(C[5]C[6a]N[5]H)(NOO)(H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	118.0710	0.000	1	118.0710	0.000	1	114.2633	8.108	11	114.5696	3.372	81	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:3:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]H)(H)	C[5](C[5]C[6a]C[5]C)(C[5]C[6a]N[5]H)(NOO)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]H)(H){1|Br<1>,1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]C)(C[5]C[6a]N[5]H)(NOO)(H){2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	113.1340	0.000	1	113.1340	0.000	1	114.2633	8.108	11	114.5696	3.372	81	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:3:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(NOO)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]H)(H){1|O<2>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(NOO)(H){2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	117.1010	0.000	1	117.1010	0.000	1	114.2633	8.108	11	114.5696	3.372	81	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:3:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(NOO)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]H)(H){4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(NOO)(H){2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	113.4880	0.000	1	113.4880	0.000	1	114.2633	8.108	11	114.5696	3.372	81	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:3:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]H)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]N[5]H)(NOO)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]H)(H){1|N<3>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]N[5]H)(NOO)(H){2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	116.9970	0.000	1	116.9970	0.000	1	114.2633	8.108	11	114.5696	3.372	81	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:3:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]S)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(NOO)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]S)(H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(NOO)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|S<4>,2|C<4>,3|H<1>}	109.4700	0.000	1	109.7155	0.121	2	114.2633	8.108	11	114.5696	3.372	81	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:3:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]S)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(NOO)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]S)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(NOO)(H){1|H<1>,1|S<4>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|S<4>,2|C<4>,3|H<1>}	109.9610	0.000	1	109.7155	0.121	2	114.2633	8.108	11	114.5696	3.372	81	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:3:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]N[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]N[5]CH)(NOO)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]N[5]C)(H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]N[5]CH)(NOO)(H){1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|N<3>,3|H<1>}	116.3340	0.000	1	116.3340	0.000	1	114.2633	8.108	11	114.5696	3.372	81	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:3:2:	3:3:4:	C[5]-3:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C-3:C-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,5]C[6a]O[5])(C[5]C[6a]C[5]H)(COO)(CN)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,6|C<3>}	C[5](C[5,5]C[5,5]C[6a]O[5])(C[5]C[6a]C[5]H)(COO)(CN){7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,1|C<4>,2|H<1>,4|C<3>}	111.4250	0.000	1	112.1735	1.121	2	112.1735	1.121	2	112.8522	1.633	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:3:2:	3:3:4:	C[5]-3:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C-3:C-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,5]C[6a]O[5])(C[5]C[6a]C[5]H)(COO)(CN)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,6|C<3>}	C[5](C[5,5]C[5,5]C[6a]O[5])(C[5]C[6a]C[5]H)(COO)(CN){7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,1|H<1>,2|C<4>,4|C<3>}	112.9220	0.000	1	112.1735	1.121	2	112.1735	1.121	2	112.8522	1.633	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:3:2:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:C-3:C-2:	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)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CHO)(CC)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C)(H){2|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CHO)(CC){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,1|C<4>,2|H<1>,4|C<3>}	114.5150	0.000	1	114.5150	0.000	1	113.5310	1.937	2	112.8522	1.633	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:3:2:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:C-3:C-2:	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]N)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CNO)(CN)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]N)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CNO)(CN){1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	112.5470	0.000	1	112.5470	0.000	1	113.5310	1.937	2	112.8522	1.633	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:3:2:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:C-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(COO)(CN)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(COO)(CN){1|C<4>,1|O<1>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<2>,2|C<4>,2|H<1>,3|C<3>}	114.9120	2.888	2	114.9120	8.340	2	114.5482	2.721	8	114.5482	2.721	8	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:3:2:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:C-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(CN)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(CN){1|C<4>,1|O<1>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<2>,2|C<4>,2|H<1>,3|C<3>}	113.3885	1.766	2	113.3885	3.118	2	114.5482	2.721	8	114.5482	2.721	8	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:3:2:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:C-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]S)(H)	C[5](C[5]C[6a]C[5]C)(C[5]C[6a]N[5]H)(COO)(CN)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]S)(H){4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]C)(C[5]C[6a]N[5]H)(COO)(CN){1|S<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	116.4730	0.000	1	116.4730	0.000	1	114.5482	2.721	8	114.5482	2.721	8	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:3:2:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:C-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]S)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(COO)(CN)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]S)(H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(COO)(CN){1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	114.4373	0.669	3	114.4373	0.447	3	114.5482	2.721	8	114.5482	2.721	8	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:3:3:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:C-3:C-3:	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]H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO)2{1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,3|H<1>,4|C<3>}	113.7180	0.000	1	113.7180	0.000	1	113.8530	0.036	2	113.8530	0.036	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:3:3:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:C-3:C-3:	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]N)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]N)(H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO)2{1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	113.9880	0.000	1	113.9880	0.000	1	113.8530	0.036	2	113.8530	0.036	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:3:3:	3:4:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]CC)(N[5]C[5]H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(COO)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]CC)(N[5]C[5]H)(H){3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(COO)2{2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(C[6a]C[6a]H){2|C<4>,3|H<1>,5|C<3>}	117.2230	0.000	1	117.2230	0.000	1	117.2230	0.000	1	117.2230	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:3:3:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H){4|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<4>,5|C<3>}	119.0030	0.000	1	119.0030	0.000	1	116.1488	3.070	8	115.8610	2.443	13	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:3:3:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|H<1>,3|C<3>,3|C<4>}	115.2700	0.000	1	115.2700	0.000	1	116.1488	3.070	8	115.8610	2.443	13	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:3:3:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(COO)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(COO)2{1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	116.4420	0.000	1	117.3950	1.816	2	116.1488	3.070	8	115.8610	2.443	13	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:3:3:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(COO)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]H)(H){4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(COO)2{2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	118.3480	0.000	1	117.3950	1.816	2	116.1488	3.070	8	115.8610	2.443	13	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:3:3:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]H)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]SiH)(COO)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]H)(H){1|Cl<1>,1|Si<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]SiH)(COO)2{2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	115.6765	0.337	2	115.6765	0.114	2	116.1488	3.070	8	115.8610	2.443	13	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:3:3:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]S)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CCH)(COO)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]S)(H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CCH)(COO){1|H<1>,1|S<4>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|S<4>,2|C<4>,2|H<1>,3|C<3>}	115.0520	0.000	1	115.0520	0.000	1	116.1488	3.070	8	115.8610	2.443	13	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:3:3:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]S)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]S)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)2{1|H<1>,1|S<4>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|S<4>,2|C<4>,2|H<1>,3|C<3>}	113.7220	0.000	1	113.7220	0.000	1	116.1488	3.070	8	115.8610	2.443	13	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:3:3:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:N-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(N[5]C[5]H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(COO)(NCH)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(N[5]C[5]H)(H){4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(COO)(NCH){2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	116.4265	1.356	2	116.4265	1.837	2	115.6777	2.601	3	115.8610	2.443	13	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:3:3:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:N-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(N[5]C[5]S)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(COO)(NOO)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(N[5]C[5]S)(H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(COO)(NOO){1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	114.1800	0.000	1	114.1800	0.000	1	115.6777	2.601	3	115.8610	2.443	13	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:3:3:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:S-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CS)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(SC[6a]O)(COO)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CS)(N[5]C[5]C)(H){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(SC[6a]O)(COO){1|C<4>,1|O<1>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|S<3>,2|C<4>,2|H<1>,3|C<3>}	114.9850	0.571	2	114.9850	0.326	2	114.9850	0.326	2	115.8610	2.443	13	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:4:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:C-4: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]C)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CHOO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C)(H){2|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CHOO)(H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<4>,3|C<3>,3|H<1>}	116.3270	0.000	1	116.3270	0.000	1	115.8028	3.291	4	115.8028	3.291	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:4:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:C-4: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]H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]HO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]H)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]HO)(H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<3>,2|C<4>,4|H<1>}	113.1240	0.000	1	113.1240	0.000	1	115.8028	3.291	4	115.8028	3.291	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:4:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:C-4: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]N[5]O)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]O)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(CC[6a]HH)(H){1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	116.6560	0.000	1	116.6560	0.000	1	115.8028	3.291	4	115.8028	3.291	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:4:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:C-4: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]O[5]O)(H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]O[5]O)(H){1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(CH3)(H){1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){1|Cl<1>,1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	117.1040	0.000	1	117.1040	0.000	1	115.8028	3.291	4	115.8028	3.291	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:4:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-4:Si-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SiH)(C[6a]C[6a]2)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(SiCl3)(H)	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SiH)(C[6a]C[6a]2)(H){2|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(SiCl3)(H){4|C<3>}	C[6a](C[5]C[5,6a]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Si<4>,2|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	113.1720	0.000	1	113.1720	0.000	1	113.1720	0.000	1	114.4432	6.858	24	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:4:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4: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]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CH3)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CH3)(H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	114.2518	0.744	5	114.2518	0.554	5	114.6619	0.620	11	114.4432	6.858	24	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:4:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4: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]H)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(CC[6a]HO)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){2|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(CC[6a]HO)(H){2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,4|H<1>}	114.0970	0.000	1	114.0970	0.000	1	114.6619	0.620	11	114.4432	6.858	24	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:4:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4: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]H)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(CCHH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	115.0750	0.000	1	115.0750	0.000	1	114.6619	0.620	11	114.4432	6.858	24	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:4:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4: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)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CC[6a]CH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CC[6a]CH)(H){1|S<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,3|C<4>,3|H<1>}	116.1270	0.000	1	116.1270	0.000	1	114.6619	0.620	11	114.4432	6.858	24	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:4:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4: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)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CHHO)(H)	C[6a](C[5]C[5]N[5]H)(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)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CHHO)(H){1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|S<4>,3|C<4>,3|H<1>}	114.8170	0.522	2	114.8170	0.272	2	114.6619	0.620	11	114.4432	6.858	24	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:4:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4: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]O[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]O[5]H)(CHHO)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]O[5]C)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]O[5]H)(CHHO)(H){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	115.0890	0.000	1	115.0890	0.000	1	114.6619	0.620	11	114.4432	6.858	24	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:4:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CO)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(CC3)(O)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CO)(N[5]C[5]C)(H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(CC3)(O){2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	124.3770	0.000	1	124.3770	0.000	1	124.3770	0.000	1	114.4432	6.858	24	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:4:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(N[5]O[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]O[5]H)(C[5]O[5]CH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(N[5]O[5]C)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]O[5]H)(C[5]O[5]CH)(H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	116.4520	0.000	1	116.4520	0.000	1	116.4520	0.000	1	114.4432	6.858	24	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:4:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:P-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(N[5]C[5]H)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HP)(PC[6a]2O)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(N[5]C[5]H)(H){1|P<4>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HP)(PC[6a]2O)(H){2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|P<4>,2|C<4>,4|H<1>}	115.3460	0.000	1	115.3460	0.000	1	115.3460	0.000	1	114.4432	6.858	24	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:4:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4: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]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(SC[6a]OO)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]C[5]C)(H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(SC[6a]OO)(H){1|C<4>,1|O<1>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	112.0060	0.000	1	112.0060	0.000	1	112.8898	3.017	9	114.4432	6.858	24	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:4:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4: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]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(SC[6a]OO)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]C[5]C)(H){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(SC[6a]OO)(H){1|C<4>,1|O<1>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,2|C<4>,3|H<1>}	111.4938	0.305	4	111.4938	0.093	4	112.8898	3.017	9	114.4432	6.858	24	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:4:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4: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]H)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HS)(SC[6a]OO)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]C[5]H)(H){1|S<4>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HS)(SC[6a]OO)(H){2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,4|H<1>}	115.6720	0.000	1	115.6720	0.000	1	112.8898	3.017	9	114.4432	6.858	24	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:4:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4: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)(H)	C[5](C[5]C[6a]N[5]H)(C[5]N[5a]C[5]H)(SC[6a]OO)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]C[5]S)(H){1|N<3>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]N[5a]C[5]H)(SC[6a]OO)(H){1|H<1>,1|S<4>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|S<4>,3|H<1>}	115.3010	0.000	1	115.3010	0.000	1	112.8898	3.017	9	114.4432	6.858	24	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:4:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4: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]O[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HH)(SC[5a]OO)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]O[5]C)(H){2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HH)(SC[5a]OO)(H){1|C<4>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,1|S<4>,2|C<4>,3|H<1>}	112.8500	0.000	1	112.8500	0.000	1	112.8898	3.017	9	114.4432	6.858	24	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:4:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4: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]O[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HH)(SC[6a]OO)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]O[5]C)(H){2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HH)(SC[6a]OO)(H){1|C<4>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,1|S<4>,2|C<4>,3|H<1>}	114.2040	0.000	1	114.2040	0.000	1	112.8898	3.017	9	114.4432	6.858	24	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:4:2:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CO)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(CC3)(OH)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CO)(N[5]C[5]C)(H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(CC3)(OH){2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|H<1>,2|C<3>,2|O<2>,3|C<4>}	124.8280	0.000	1	124.8280	0.000	1	124.8280	0.000	1	124.8280	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:4:3:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CH3)(COO)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CH3)(COO){1|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	113.4770	0.000	1	113.4770	0.000	1	114.2093	0.426	3	114.5858	0.851	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:4:3:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CH3)(COO)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CH3)(COO){1|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|H<1>,1|I<1>,3|C<3>,3|C<4>}	114.4200	0.000	1	114.4200	0.000	1	114.2093	0.426	3	114.5858	0.851	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:4:3:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CHHO)(COO)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CHHO)(COO){1|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|H<1>,3|C<3>,3|C<4>}	114.7310	0.000	1	114.7310	0.000	1	114.2093	0.426	3	114.5858	0.851	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:4:3:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:N-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(N[5]C[5]H)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CH3)(NOO)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(N[5]C[5]H)(H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CH3)(NOO){2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	115.7150	0.000	1	115.7150	0.000	1	115.7150	0.000	1	114.5858	0.851	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:4:4:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CH3)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H){2|C<3>,6|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CH3)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>,5|C<4>}	116.0330	0.000	1	116.0330	0.000	1	116.7277	0.362	3	116.7277	0.362	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:1:	4:4:4:4:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]H)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CF3)(CH3)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CF3)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,3|H<1>,4|C<4>}	117.0750	0.017	2	117.0750	0.000	2	116.7277	0.362	3	116.7277	0.362	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:2:	3:4:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:C-2:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]H)(C[6a]C[6a]2)(CN)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(H)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]H)(C[6a]C[6a]2)(CN){4|H<1>,6|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(H){1|H<1>,1|N<3>,6|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	114.0150	0.000	1	114.0150	0.000	1	114.0150	0.000	1	114.0150	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:2:	3:4:3:2:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]2)(OC)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]2)(OC)	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]2)(OC){1|O<2>,2|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]2)(OC){1|O<2>,2|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,5|C<3>}	110.0705	1.440	2	110.0705	2.075	2	111.3342	3.266	4	111.3342	3.266	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:2:	3:4:3:2:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]2)(OC)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]2)(OH)	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]2)(OC){1|O<2>,2|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]2)(OH){1|O<2>,2|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,5|C<3>}	113.4150	0.000	1	113.4150	0.000	1	111.3342	3.266	4	111.3342	3.266	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:2:	3:4:3:2:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]2)(OH)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]2)(OC)	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]2)(OH){1|O<2>,2|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]2)(OC){1|O<2>,2|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,5|C<3>}	111.7810	0.000	1	111.7810	0.000	1	111.3342	3.266	4	111.3342	3.266	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:2:	4:2:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:O[5]-2:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]C)(OH)	C[5](C[5]C[6a]C[5]O)(O[5]C[5])(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]C)(OH){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]O)(O[5]C[5])(H)2{1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|O<2>,3|C<3>,4|H<1>}	110.1940	0.000	1	111.0130	0.515	3	111.0130	0.515	3	111.0130	0.515	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:2:	4:2:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:O[5]-2:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]C)(OH)	C[5](C[5]C[6a]C[5]O)(O[5]C[5])(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]C)(OH){2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]O)(O[5]C[5])(H)2{2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	111.3120	0.000	1	111.0130	0.515	3	111.0130	0.515	3	111.0130	0.515	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:2:	4:2:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:O[5]-2:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]C)(OH)	C[5](C[5]C[6a]C[5]O)(O[5]C[5])(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]C)(OH){2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]O)(O[5]C[5])(H)2{2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>,3|H<1>}	111.5330	0.000	1	111.0130	0.515	3	111.0130	0.515	3	111.0130	0.515	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:2:	4:2:4:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:O[5]-2:C-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]C)(OH)	C[5](C[5]C[6a]C[5]O)(O[5]C[5])(CCl3)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]C)(OH){2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]O)(O[5]C[5])(CCl3)(H){4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	110.9080	0.000	1	110.9080	0.000	1	110.9080	0.000	1	110.9080	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:2:	4:3:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-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]HH)(C[5]C[5]O)(OH)	C[5](C[5]C[6a]C[5]O)(C[5]C[5]C)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(OH){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]C[5]O)(C[5]C[5]C)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|O<1>,3|C<3>,4|H<1>}	113.7760	0.000	1	113.7760	0.000	1	113.7760	0.000	1	113.7760	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:2:	4:3:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:O-2:	C[5]-4:C[5]-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)(N[5]N[5]C)(OH)	C[5](C[5]C[6a]N[5]O)(C[5]C[6a]N[5])(H)2	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(OH){2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]O)(C[5]C[6a]N[5])(H)2{5|C<3>}	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,4|H<1>}	112.2517	0.398	3	112.2517	0.159	3	112.9668	0.814	8	112.9668	0.814	8	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:2:	4:3:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:O-2:	C[5]-4:C[5]-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)(N[5]N[5]C)(OH)	C[5](C[5]C[6a]N[5]O)(C[5]N[5]C)(H)2	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(OH){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[6a]N[5]O)(C[5]N[5]C)(H)2{3|C<3>}	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<2>,3|C<3>,4|H<1>}	113.5505	1.150	2	113.5505	1.324	2	112.9668	0.814	8	112.9668	0.814	8	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:2:	4:3:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:O-2:	C[5]-4:C[5]-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)(N[5]N[5]C)(OH)	C[5](C[5]C[6a]N[5]O)(C[5]N[5]C)(H)2	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(OH){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]O)(C[5]N[5]C)(H)2{3|C<3>}	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,4|H<1>}	113.2927	0.873	3	113.2927	0.762	3	112.9668	0.814	8	112.9668	0.814	8	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:2:	4:3:3:1:	4:3:3:	C[5,6]-3:C[5]-4:C[6a]-3:C-2:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]N[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(CN)	C[5](C[5]C[5,6]C[6a]C)(C[6a]C[6a]2)(N[5]C[5,6]H)(H)	C[6a](C[5]C[5,6]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]N[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(CN){4|H<1>,6|C<3>}	C[5](C[5]C[5,6]C[6a]C)(C[6a]C[6a]2)(N[5]C[5,6]H)(H){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,6]C[5]C)(C[6a]C[6a]H)2{2|N<3>,3|C<3>,3|H<1>}	111.9663	1.391	3	111.9663	1.934	3	111.9663	1.934	3	112.9737	1.952	7	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:2:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:C-2:	C[5]-4:N[5]-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[5]C[6a]N[5]H)(C[6a]C[6a]2)(CN)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]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[5]C[6a]N[5]H)(C[6a]C[6a]2)(CN){4|H<1>,6|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	113.9865	0.136	2	113.9865	0.019	2	113.7293	0.838	4	112.9737	1.952	7	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:2:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:C-2:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(CN)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]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]N[6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(CN){3|H<1>,6|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)(H){1|N<2>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,3|C<3>,3|H<1>}	113.4720	1.493	2	113.4720	2.230	2	113.7293	0.838	4	112.9737	1.952	7	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:2:	4:3:4:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-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]CH)(C[5]C[5]C)(OH)	C[5](C[5]C[6a]C[5]O)(C[5]C[5]O)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C)(OH){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]O)(C[5]C[5]O)(CCHH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){2|C<4>,3|C<3>,3|H<1>}	113.5540	0.000	1	113.5540	0.000	1	112.8295	1.050	2	112.8295	1.050	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:2:	4:3:4:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-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]CH)(C[5]C[5]O)(OH)	C[5](C[5]C[6a]C[5]O)(C[5]C[5]C)(CH3)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O)(OH){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]O)(C[5]C[5]C)(CH3)(H){1|C<4>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	112.1050	0.000	1	112.1050	0.000	1	112.8295	1.050	2	112.8295	1.050	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:2:	4:3:4:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:C-2:	C[5]-4:N[5]-3:C[6]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5]H)(C[6a]C[6a]2)(CN)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(C[6]C[6]2H)(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[5]C[6]N[5]H)(C[6a]C[6a]2)(CN){2|C<4>,4|C<3>,5|H<1>}	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(C[6]C[6]2H)(H){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	116.0350	0.000	1	116.0350	0.000	1	116.0350	0.000	1	116.0350	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:2:	4:3:4:4:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-3:C-4:C-4:	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]O)(OH)	C[5](C[5]C[6a]C[5]O)(C[5]C[5]H)(CN[5]HH)(CH3)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]O)(OH){3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]O)(C[5]C[5]H)(CN[5]HH)(CH3){1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	113.8410	0.000	1	113.8410	0.000	1	113.8410	0.000	1	113.8410	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:2:	4:4:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-4:F-1:F-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]FF)(C[5]N[5]C)(OH)	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]N[5]C)(F)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[6a]C[6a]2)(C[5]C[5]FF)(C[5]N[5]C)(OH){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]N[5]C)(F)2{1|S<4>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|C<4>,1|N<3>,2|C<3>,2|F<1>,2|H<1>}	112.8380	0.000	1	112.8380	0.000	1	112.8380	0.000	1	112.0044	3.788	5	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:2:	4:4:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-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]C)(OH)	C[5](C[5]C[6a]C[5]O)(C[5]C[5]CC)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(OH){1|C<4>,2|C<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]O)(C[5]C[5]CC)(H)2{1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|C<4>,3|C<3>,4|H<1>}	109.1570	0.000	1	109.1570	0.000	1	111.7960	4.761	4	112.0044	3.788	5	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:2:	4:4:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-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]N)(OH)	C[5](C[5]C[6a]C[5]O)(C[5]C[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)(OH){2|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]O)(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	113.0300	0.000	1	111.9890	2.167	2	111.7960	4.761	4	112.0044	3.788	5	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:2:	4:4:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-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]N)(OH)	C[5](C[5]C[6a]C[5]O)(C[5]C[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)(OH){2|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]O)(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	110.9480	0.000	1	111.9890	2.167	2	111.7960	4.761	4	112.0044	3.788	5	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:2:	4:4:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-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]N[5]O)(OC)	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]N[5]H)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(OC){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]N[5]H)(H)2{1|C<4>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	114.0490	0.000	1	114.0490	0.000	1	111.7960	4.761	4	112.0044	3.788	5	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:2:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:C-2:	C[5]-4:C[5]-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)(CN)	C[5](C[5]C[6a]N[5]C)(C[5]C[5]ClH)(H)2	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]HH)(N[5]C[5]C)(CN){1|Cl<1>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]C)(C[5]C[5]ClH)(H)2{2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	112.0820	0.000	1	112.0820	0.000	1	112.0820	0.000	1	112.2713	0.028	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:2:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:O-2:	C[5]-4:C[5]-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]S)(OSi)	C[5](C[5]C[6a]N[5]O)(C[5]C[5]CH)(H)2	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(OSi){3|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]O)(C[5]C[5]CH)(H)2{1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,4|H<1>}	112.4010	0.000	1	112.4010	0.000	1	112.4010	0.000	1	112.2713	0.028	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:2:	4:4:1:1:	4:3:3:	N[5]-3:C[5]-4:C[6a]-3:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]2)(OH)	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]N[5]O)(H)2	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]2)(OH){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]N[5]O)(H)2{2|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	112.3310	0.000	1	112.3310	0.000	1	112.3310	0.000	1	112.2713	0.028	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:2:	4:4:2:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-4:O-2: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]O)(OH)	C[5](C[5]C[6a]C[5]O)(C[5]O[5]HH)(OH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]O[5]O)(OH){2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]O)(C[5]O[5]HH)(OH)(H){1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	110.6650	0.000	1	110.6650	0.000	1	110.6650	0.000	1	110.6650	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:2:	4:4:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-4:C-3: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]N[5]O)(OH)	C[5](C[5]C[6a]C[5]O)(C[5]N[5]HH)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]O)(OH){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]O)(C[5]N[5]HH)(CC[6a]C)(H){1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	114.0020	0.000	1	114.0020	0.000	1	114.0020	0.000	1	114.0020	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:2:	4:4:4:1:	4:3:3:	C[6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]H)(O[5]C[5])	C[5](C[5]C[6a]C[5]O[5])(C[5]C[5]HH)(C[5]N[5]HH)(H)	C[6a](C[5]C[5]2O[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]H)(O[5]C[5]){1|N<3>,1|O<1>,3|C<3>,7|H<1>}	C[5](C[5]C[6a]C[5]O[5])(C[5]C[5]HH)(C[5]N[5]HH)(H){1|H<1>,1|O<1>,5|C<3>}	C[6a](C[5]C[5]2O[5])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	111.6020	0.000	1	111.6020	0.000	1	111.6020	0.000	1	112.9500	3.634	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:2:	4:4:4:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:O-2:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(N[5]C[5]H)(OH)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[6a]N[5]O)(C[5]C[5]CH)(H)	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(N[5]C[5]H)(OH){1|C<2>,1|O<1>,4|C<3>,4|H<1>}	C[5](C[5]C[5,6a]C[5]H)(C[5]C[6a]N[5]O)(C[5]C[5]CH)(H){1|H<1>,1|N<3>,2|O<1>,4|C<3>}	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	114.2980	0.000	1	114.2980	0.000	1	114.2980	0.000	1	112.9500	3.634	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:3:	4:3:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:C-3:	C[5]-4:C[5]-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)(N[5]C[5]C)(CNO)	C[5](C[5]C[6a]N[5]C)(C[5]C[5]H)(H)2	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(CNO){1|C<3>,1|N<2>,1|O<1>,3|H<1>}	C[5](C[5]C[6a]N[5]C)(C[5]C[5]H)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<4>,3|C<3>,3|H<1>}	115.5870	0.000	1	115.5870	0.000	1	112.6825	16.872	2	111.3895	7.897	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:3:	4:3:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:C-3:	C[5]-4:C[5]-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)(N[5]N[5]S)(CCH)	C[5](C[5]C[6a]N[5]C)(C[5]C[6a]N[5])(H)2	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]S)(CCH){2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]C)(C[5]C[6a]N[5])(H)2{1|S<4>,4|C<3>}	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|N<2>,1|S<4>,2|C<3>,4|H<1>}	109.7780	0.000	1	109.7780	0.000	1	112.6825	16.872	2	111.3895	7.897	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:3:	4:3:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:N-3:	C[5]-4:C[5]-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)(N[5]N[5]C)(NCH)	C[5](C[5]C[6a]N[5]N)(C[5]C[6a]N[5])(H)2	C[6a](C[5]C[5]N[5]N)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(NCH){2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]N)(C[5]C[6a]N[5])(H)2{5|C<3>}	C[6a](C[5]C[5]N[5]N)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,4|H<1>}	110.0965	0.363	2	110.0965	0.132	2	110.0965	0.132	2	111.3895	7.897	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:3:	4:3:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C-3: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]N[5]O)(CCO)	C[5](C[5]C[6a]C[5]C)(C[5]N[5]C)(CCH)(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]CH)(C[5]N[5]O)(CCO){2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]C)(C[5]N[5]C)(CCH)(H){1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	114.7890	0.000	1	114.7890	0.000	1	114.7890	0.000	1	114.7890	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:3:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:C-3:	C[5]-4:N[5]-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[5]C[6a]N[5]H)(C[6a]C[6a]2)(CC[6a]O)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]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[5]C[6a]N[5]H)(C[6a]C[6a]2)(CC[6a]O){4|H<1>,6|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	113.9780	0.000	1	113.9780	0.000	1	112.7493	1.135	3	112.7493	1.135	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:3:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:C-3:	C[5]-4:N[5]-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[5]C[6a]N[5]H)(C[6a]C[6a]2)(COO)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]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[5]C[6a]N[5]H)(C[6a]C[6a]2)(COO){4|H<1>,6|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	112.1350	0.078	2	112.1350	0.006	2	112.7493	1.135	3	112.7493	1.135	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:3:	4:3:3:3:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:C[5,6a]-3:C[5]-3:N-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(C[5]N[5]O)	C[5](C[5]C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NCH)	C[6a](C[5]C[5,6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[5](C[5]C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NCH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5]2)(C[6a]C[6a]H)2{1|O<1>,2|H<1>,2|N<3>,5|C<3>}	112.4920	0.000	1	112.4920	0.000	1	112.4920	0.000	1	112.4920	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:3:	4:3:4:3:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:C-3:	C[5]-4:N[5]-3:C-4:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(N[5]C[5]H)(COO)	C[5](C[5]C[6a]N[5]C)(N[5]C[5]S)(CH3)(COO)	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]CC)(N[5]C[5]H)(COO){1|S<4>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]C)(N[5]C[5]S)(CH3)(COO){2|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	116.8440	0.000	1	116.8440	0.000	1	116.8440	0.000	1	116.8440	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:3:	4:4:1:1:	3:3:4:	C[5]-3:C[5]-4:C[6a]-3:C-3:	C[5,5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2)(CCH)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5]C)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2)(CCH){2|H<1>,3|C<4>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5]C)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<4>,3|C<3>,4|H<1>}	109.6590	0.000	1	109.6590	0.000	1	109.6590	0.000	1	112.0659	4.435	12	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:3:	4:4:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-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]N)(CCH)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(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)(CCH){2|C<3>,6|H<1>}	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(H)2{1|N<2>,2|C<3>,2|H<1>}	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>}	113.2233	1.470	4	113.2233	2.162	4	112.4149	4.512	10	112.0659	4.435	12	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:3:	4:4:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-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)(CNO)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]CC)(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)(CNO){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[6a]C[5]C)(C[5]C[5]CC)(H)2{1|O<1>,2|C<3>,2|H<1>}	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>}	111.5860	0.000	1	111.5860	0.000	1	112.4149	4.512	10	112.0659	4.435	12	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:3:	4:4:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-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]N[5]O)(CC[5]O)	C[5](C[5]C[6a]C[5]C)(C[5]N[5]HH)(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]N[5]O)(CC[5]O){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]C)(C[5]N[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	110.3830	0.854	3	110.3830	0.728	3	112.4149	4.512	10	112.0659	4.435	12	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:3:	4:4:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-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]N[5]O)(COO)	C[5](C[5]C[6a]C[5]C)(C[5]N[5]HH)(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]N[5]O)(COO){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]C)(C[5]N[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	112.0060	0.000	1	112.0060	0.000	1	112.4149	4.512	10	112.0659	4.435	12	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:3:	4:4:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-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]O)(CC[6a]O)	C[5](C[5]C[6a]C[5]C)(C[5]O[5]HH)(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]O[5]O)(CC[6a]O){2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]C)(C[5]O[5]HH)(H)2{1|O<1>,2|C<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>}	116.5150	0.000	1	116.5150	0.000	1	112.4149	4.512	10	112.0659	4.435	12	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:3:	4:4:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:N-3:	C[5]-4:C[5]-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]N[5]N)(NCH)	C[5](C[5]C[6a]C[5]N)(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2N)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]N)(NCH){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]N)(C[5]N[5]HH)(H)2{1|C<4>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2N){1|C<3>,1|C<4>,1|N<2>,1|N<3>,4|H<1>}	110.9830	0.000	1	110.9830	0.000	1	110.9830	0.000	1	112.0659	4.435	12	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:3:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:C-3:	C[5,5]-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[5]C[5,5]HH)(C[6a]C[6a]2)(COO)	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]C[6a]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[5]C[5,5]HH)(C[6a]C[6a]2)(COO){3|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]C[6a]C)(H)2{1|N<3>,1|O<1>,6|C<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>}	112.7020	0.000	1	112.7020	0.000	1	112.7020	0.000	1	112.0447	2.696	6	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:3:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:C-3:	C[5]-4:C[5]-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)(CNO)	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(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)(CNO){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<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>}	115.1140	0.000	1	111.9132	3.241	5	111.9132	3.241	5	112.0447	2.696	6	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:3:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:C-3:	C[5]-4:C[5]-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)(CNO)	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(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)(CNO){2|C<3>,6|H<1>}	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(H)2{2|H<1>,3|C<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>}	111.1130	0.229	4	111.9132	3.241	5	111.9132	3.241	5	112.0447	2.696	6	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:3:	4:4:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-4:N-3: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]C[5]O)(CCH)	C[5](C[5]C[6a]C[5]C)(C[5]C[6a]C[5]H)(NOO)(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]HN)(C[5]C[5]O)(CCH){3|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]C)(C[5]C[6a]C[5]H)(NOO)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	110.7140	0.000	1	110.7140	0.000	1	110.7140	0.000	1	110.7140	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:3:	4:4:3:1:	4:3:3:	C[5,5a]-3:C[5]-4:C[6a]-3:C-3:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(COO)	C[5](C[5]C[5,5a]C[6a]C)(C[5]C[5,5a]CH)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5a]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(COO){1|N<3>,3|H<1>,7|C<3>}	C[5](C[5]C[5,5a]C[6a]C)(C[5]C[5,5a]CH)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,5a]C[5]C)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	110.6890	0.000	1	110.6890	0.000	1	110.6890	0.000	1	112.6086	8.786	7	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:3:	4:4:3:1:	4:3:3:	C[5,5a]-3:C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)2	C[5](C[5]C[5,5a]C[5a]H)(C[5]C[5,5a]C[6a]2)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5a]C[6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)2{6|H<1>,9|C<3>}	C[5](C[5]C[5,5a]C[5a]H)(C[5]C[5,5a]C[6a]2)(C[6a]C[6a]2)(H){2|H<1>,2|N<3>,8|C<3>}	C[6a](C[5]C[5,5a]C[6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,5|C<3>}	113.2000	0.832	2	113.2000	0.691	2	112.9285	9.683	6	112.6086	8.786	7	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:3:	4:4:3:1:	4:3:3:	C[5,5a]-3:C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)2	C[5](C[5]C[5,5a]C[6a]2)(C[5]C[5,5a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5a]C[6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)2{6|H<1>,9|C<3>}	C[5](C[5]C[5,5a]C[6a]2)(C[5]C[5,5a]C[6]H)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,9|C<3>}	C[6a](C[5]C[5,5a]C[6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,5|C<3>}	113.3275	6.731	2	113.3275	45.306	2	112.9285	9.683	6	112.6086	8.786	7	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:3:	4:4:3:1:	4:3:3:	C[5,5a]-3:C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)2	C[5](C[5]C[5,5a]C[6a]2)(C[5]C[5,5a]N[5a]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5a]C[6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)2{1|N<3>,6|H<1>,8|C<3>}	C[5](C[5]C[5,5a]C[6a]2)(C[5]C[5,5a]N[5a]H)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,9|C<3>}	C[6a](C[5]C[5,5a]C[6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,5|C<3>}	112.2580	1.027	2	112.2580	1.054	2	112.9285	9.683	6	112.6086	8.786	7	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:3:	4:4:4:3:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-4:C-4:N-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(C[5]C[5]O)(CCH)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(CH3)(NOO)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(C[5]C[5]O)(CCH){2|C<3>,6|H<1>}	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(CH3)(NOO){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	117.1740	0.000	1	117.1740	0.000	1	117.1740	0.000	1	117.1740	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:4:	4:2:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:C-4:	C[5]-4:O[5]-2: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[5](C[5]C[6a]N[5]C)(O[5]S[5])(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]S[5]H)(CH3){2|C<3>,2|H<1>,2|O<1>}	C[5](C[5]C[6a]N[5]C)(O[5]S[5])(H)2{1|H<1>,2|C<3>,2|O<1>}	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>}	112.9850	0.000	1	112.9850	0.000	1	112.9850	0.000	1	112.9850	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:4:	4:2:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:O[5]-2:N-3:H-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[5](C[5]C[6a]C[5]C)(O[5]C[5])(NCC)(H)	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[5](C[5]C[6a]C[5]C)(O[5]C[5])(NCC)(H){1|H<1>,3|C<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>}	116.2760	0.000	1	116.2760	0.000	1	116.2760	0.000	1	116.2760	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:4:	4:3:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-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]HH)(C[5]N[5]O)(CH3)	C[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(H)2	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[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(H)2{1|O<1>,1|O<2>,2|C<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>}	111.0580	0.000	1	111.0580	0.000	1	111.5156	0.503	8	111.2544	1.054	9	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:4:	4:3:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-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]HH)(C[5]N[5]O)(CH3)	C[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(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]N[5]O)(CH3){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(H)2{1|C<4>,1|O<1>,2|C<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>}	112.1710	0.000	1	111.5810	0.547	7	111.5156	0.503	8	111.2544	1.054	9	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:4:	4:3:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-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]HH)(C[5]N[5]O)(CH3)	C[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(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]N[5]O)(CH3){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(H)2{1|H<1>,1|O<1>,2|C<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>}	111.4827	0.758	6	111.5810	0.547	7	111.5156	0.503	8	111.2544	1.054	9	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:4:	4:3:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3: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)(C[5]N[5]HH)(C[5]C[5]C)(CH3)	C[5](C[5]C[6a]C[5]C)(N[5]C[5]S)(H)2	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[5](C[5]C[6a]C[5]C)(N[5]C[5]S)(H)2{2|H<1>,3|C<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>}	109.1650	0.000	1	109.1650	0.000	1	109.1650	0.000	1	111.2544	1.054	9	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:4:	4:3:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:C-4:	C[5]-4:C[5]-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)(N[5]N[5]S)(CH3)	C[5](C[5]C[6a]N[5]C)(C[5]C[6a]N[5])(H)2	C[6a](C[5]C[5]N[5]C)(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[5](C[5]C[6a]N[5]C)(C[5]C[6a]N[5])(H)2{1|S<4>,4|C<3>}	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|N<2>,1|S<4>,2|C<3>,4|H<1>}	110.9750	0.000	1	110.9750	0.000	1	110.7360	0.114	2	111.5067	2.616	6	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:4:	4:3:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:C-4:	C[5]-4:C[5]-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)(N[5]N[5]S)(CHHI)	C[5](C[5]C[6a]N[5]C)(C[5]C[6a]N[5])(H)2	C[6a](C[5]C[5]N[5]C)(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[5](C[5]C[6a]N[5]C)(C[5]C[6a]N[5])(H)2{1|S<4>,4|C<3>}	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|N<2>,1|S<4>,2|C<3>,4|H<1>}	110.4970	0.000	1	110.4970	0.000	1	110.7360	0.114	2	111.5067	2.616	6	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:4:	4:3:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:C-4:	C[5]-4:N[5]-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]HH)(N[5]C[5]H)(CF3)	C[5](C[5]C[6a]N[5]C)(N[5]C[5]H)(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]N[5]HH)(N[5]C[5]H)(CF3){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]C)(N[5]C[5]H)(H)2{1|H<1>,1|O<1>,2|C<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>}	114.7770	0.000	1	114.7770	0.000	1	111.8920	3.728	4	111.5067	2.616	6	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:4:	4:3:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:C-4:	C[5]-4:N[5]-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]HH)(N[5]C[5]S)(CH3)	C[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(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]N[5]HH)(N[5]C[5]S)(CH3){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(H)2{1|S<3>,2|C<3>,2|H<1>}	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>}	111.0435	0.104	2	111.0435	0.011	2	111.8920	3.728	4	111.5067	2.616	6	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:4:	4:3:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:C-4:	C[5]-4:N[5]-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]HH)(N[5]C[5]S)(CHHI)	C[5](C[5]C[6a]N[5]C)(N[5]C[6a]C[5])(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]N[5]HH)(N[5]C[5]S)(CHHI){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]C)(N[5]C[6a]C[5])(H)2{1|O<1>,1|S<4>,4|C<3>}	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>}	110.7040	0.000	1	110.7040	0.000	1	111.8920	3.728	4	111.5067	2.616	6	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:4:	4:3:2:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:C-4:	C[5]-4:C[5]-3:C-2: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[5](C[5]C[6a]N[5]C)(C[5]C[5]C)(CN)(H)	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[5](C[5]C[6a]N[5]C)(C[5]C[5]C)(CN)(H){1|S<4>,2|C<3>,2|H<1>}	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>}	113.6600	0.000	2	113.6600	0.000	2	113.6600	0.000	2	113.6600	0.000	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:4:	4:3:3:3:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:C-4:	C[5]-4:N[5]-3:C[6a]-3:C-3:	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[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(C[6a]C[6a]2)(CHN)	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[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(C[6a]C[6a]2)(CHN){2|H<1>,6|C<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>}	110.2450	0.000	1	110.2450	0.000	1	110.2450	0.000	1	110.2450	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:4:	4:3:4:4:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:C-4:	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[5](C[5]C[6a]C[5]C)(C[5]C[5]O)(CCHH)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]CC)(C[5]C[5]C)(CH3){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]C)(C[5]C[5]O)(CCHH)2{1|C<4>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){2|H<1>,3|C<3>,3|C<4>}	110.5570	0.000	1	110.5570	0.000	1	110.5570	0.000	1	110.5570	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	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[5]-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]N)(CClHH)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(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[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(H)2{1|N<2>,2|C<3>,2|H<1>}	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>}	113.1290	2.940	2	113.1290	8.644	2	112.7923	2.346	9	112.7923	2.346	9	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	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[5]-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)(CBrCH)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(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)(CBrCH){2|C<3>,6|H<1>}	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|H<1>}	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>}	113.8020	0.000	1	113.8020	0.000	1	112.7923	2.346	9	112.7923	2.346	9	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	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[5]-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[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(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[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|H<1>}	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>}	111.7080	0.000	1	111.7080	0.000	1	112.7923	2.346	9	112.7923	2.346	9	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	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[5]-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)(CC[6a]CH)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(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)(CC[6a]CH){2|C<3>,6|H<1>}	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|H<1>}	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>}	113.8290	0.000	1	113.8290	0.000	1	112.7923	2.346	9	112.7923	2.346	9	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	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[5]-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[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(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[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|H<1>}	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>}	114.2030	0.000	1	114.2030	0.000	1	112.7923	2.346	9	112.7923	2.346	9	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	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[5]-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]N[5]B)(CH3)	C[5](C[5]C[6a]C[5]C)(C[5]N[5]CC)(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]N[5]B)(CH3){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]C)(C[5]N[5]CC)(H)2{1|B<4>,3|C<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>}	112.1160	0.000	1	112.1160	0.000	1	112.7923	2.346	9	112.7923	2.346	9	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	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[5]-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]C)(CH3)	C[5](C[5]C[6a]C[5]C)(C[5]O[5]HH)(H)2	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[5](C[5]C[6a]C[5]C)(C[5]O[5]HH)(H)2{3|C<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>}	110.7800	0.000	1	110.7800	0.000	1	112.7923	2.346	9	112.7923	2.346	9	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	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[5]-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]O)(CH3)	C[5](C[5]C[6a]C[5]C)(C[5]C[6a]O[5]C)(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]O[5]O)(CH3){2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]C)(C[5]C[6a]O[5]C)(H)2{1|O<1>,4|C<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>}	112.4350	0.000	1	112.4350	0.000	1	112.7923	2.346	9	112.7923	2.346	9	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	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[5]-4:F-1:F-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[5](C[5]C[6a]C[5]O)(C[5]C[6a]N[5]C)(F)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]FF)(N[5]C[5]S)(CH3){1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]N[5]C)(F)2{1|S<4>,5|C<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>}	109.9680	0.000	1	109.9680	0.000	1	109.9680	0.000	1	111.2059	2.230	16	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	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[5]-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[5](C[5]C[6a]N[5]C)(C[5]C[5]CC)(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[5](C[5]C[6a]N[5]C)(C[5]C[5]CC)(H)2{2|H<1>,3|C<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>}	109.7415	0.576	2	109.7415	0.332	2	111.2885	2.273	15	111.2059	2.230	16	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	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[5]-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)(CH3)	C[5](C[5]C[5a]C[5]C)(C[5]C[6a]N[5]C)(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)(CH3){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5a]C[5]C)(C[5]C[6a]N[5]C)(H)2{2|H<1>,5|C<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>}	110.0520	0.000	1	110.0520	0.000	1	111.2885	2.273	15	111.2059	2.230	16	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	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[5]-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)(CH3)	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(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)(CH3){2|C<3>,6|H<1>}	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(H)2{2|H<1>,3|C<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>}	110.9973	0.582	3	110.9973	0.338	3	111.2885	2.273	15	111.2059	2.230	16	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	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[5]-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[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(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[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<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>}	112.5370	0.000	1	112.5370	0.000	1	111.2885	2.273	15	111.2059	2.230	16	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	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[5]-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]O)(CH3)	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(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]O)(CH3){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,3|C<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>}	111.4650	1.900	6	111.4650	3.611	6	111.2885	2.273	15	111.2059	2.230	16	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	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[5]-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]S)(CBrCH)	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(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)(CBrCH){2|C<3>,6|H<1>}	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(H)2{1|S<4>,2|C<3>,2|H<1>}	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>}	112.3850	0.000	1	112.3850	0.000	1	111.2885	2.273	15	111.2059	2.230	16	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	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[5]-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]S)(CBrHH)	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(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[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(H)2{1|S<4>,2|C<3>,2|H<1>}	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>}	113.0880	0.000	1	113.0880	0.000	1	111.2885	2.273	15	111.2059	2.230	16	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:4:	4:4:2:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-3:C-4:	C[5]-4:C[5]-4:S-2: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[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(SC)(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]HS)(N[5]C[5]S)(CBrHH){2|C<3>,6|H<1>}	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(SC)(H){1|S<4>,2|C<3>,2|H<1>}	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>}	109.2070	0.000	1	109.2070	0.000	1	109.2070	0.000	1	109.2070	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:3:4:	4:4:3:4:	4:3:3:	C[5,5a]-3:C[5]-4:C[6a]-3:C-4:	C[5,5]-4:C[5]-4:C[6a]-3:C-4:	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[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[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[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[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>}	113.8550	0.000	1	113.8550	0.000	1	113.8550	0.000	1	113.8550	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:2:1:1:	2:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	N[6a]-2:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(C[5]O[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(C[5]O[5]HH)(H){1|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(H)2{1|H<1>,1|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[5]C[5]2H){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	113.7210	0.000	1	113.7210	0.000	1	113.7210	0.000	1	113.7210	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:2:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-2:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]N[5])(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]N[5]HH)(H){2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]N[5])(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|C<4>,2|N<2>,5|H<1>}	115.7065	0.627	2	115.7065	0.393	2	115.7065	0.393	2	114.9100	2.385	7	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:2:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:O[5]-2: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]O[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]O[5]HH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	116.4760	0.000	1	116.4760	0.000	1	114.5914	3.036	5	114.9100	2.385	7	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:2:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:O[5]-2: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]HH)(H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(H)2{1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){1|O<2>,2|C<3>,6|H<1>}	113.6783	1.637	3	113.6783	2.680	3	114.5914	3.036	5	114.9100	2.385	7	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:2:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:O[5]-2: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]HH)(H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	115.4460	0.000	1	115.4460	0.000	1	114.5914	3.036	5	114.9100	2.385	7	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:2:2:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-2:C-2: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]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5])(CN)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5])(CN)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,1|N<2>,2|C<3>,5|H<1>}	113.5840	0.000	1	113.5840	0.000	1	113.5840	0.000	1	113.8670	0.160	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:2:2:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:O[5]-2:O-2: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]HO)(H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(OC[6])(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]HO)(H){2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(OC[6])(H){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	114.1500	0.000	1	114.1500	0.000	1	114.1500	0.000	1	113.8670	0.160	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:2:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-2:C-3: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]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5])(COO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H){3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5])(COO)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	113.6970	0.000	1	113.6970	0.000	1	114.5047	1.700	3	113.9570	1.307	8	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:2:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-2:C-3: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]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5])(COO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5])(COO)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<2>,3|C<3>,5|H<1>}	114.9085	1.556	2	114.9085	2.422	2	114.5047	1.700	3	113.9570	1.307	8	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:2:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:O[5]-2:C-3: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]O[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(COO)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]O[5]CH)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(COO)(H){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H){2|O<2>,3|H<1>,4|C<3>}	114.8690	0.000	1	114.8690	0.000	1	113.6284	1.078	5	113.9570	1.307	8	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:2:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:O[5]-2:C-3: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]O[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(COO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]O[5]CH)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(COO)(H){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|O<2>,4|C<3>,4|H<1>}	113.4280	0.000	2	113.4280	0.000	2	113.6284	1.078	5	113.9570	1.307	8	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:2:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:O[5]-2:C-3: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]CH)(H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CH)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC[6a]O)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|O<2>,3|C<3>,5|H<1>}	114.2900	0.000	1	114.2900	0.000	1	113.6284	1.078	5	113.9570	1.307	8	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:2:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:O[5]-2:C-3: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]CH)(H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CNO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CH)(H){2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CNO)(H){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	112.1270	0.000	1	112.1270	0.000	1	113.6284	1.078	5	113.9570	1.307	8	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:2:3:3:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:O[5]-2:C-3:C-3:	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]CC)(H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(COO)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CC)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(COO)2{1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|O<2>,4|C<3>,4|H<1>}	115.8420	0.000	1	115.8420	0.000	1	115.8420	0.000	1	115.8420	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:2:3:4:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:O[5]-2:C-3:C-4:	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]CC)(H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC[6a]O)(CF3)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CC)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC[6a]O)(CF3){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	113.9440	0.000	1	113.9440	0.000	1	113.9440	0.000	1	113.9440	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:2:4:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-2:C-4: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]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5])(CF3)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H){2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5])(CF3)(H){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<2>,2|C<3>,2|C<4>,4|H<1>}	116.2340	0.000	1	116.2340	0.000	1	114.5273	3.093	3	114.8015	3.387	12	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:2:4:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-2:C-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]N[5])(CCHH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]N[5]HH)(H){2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]N[5])(CCHH)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|C<4>,2|N<2>,5|H<1>}	113.6740	1.348	2	113.6740	1.816	2	114.5273	3.093	3	114.8015	3.387	12	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:2:4:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:O[5]-2:C-4:F-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]CF)(H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CH3)(F)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CF)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CH3)(F){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|F<1>,1|O<2>,2|C<3>,4|H<1>}	115.2490	0.000	1	115.2490	0.000	1	115.2490	0.000	1	114.8015	3.387	12	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:2:4:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:O[5]-2: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]O[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CH3)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CH)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CH3)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	114.5620	0.000	1	114.5620	0.000	1	114.8484	4.376	8	114.8015	3.387	12	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:2:4:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:O[5]-2: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]O[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CH3)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CH)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CH3)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	113.7450	1.044	2	114.8893	5.090	7	114.8484	4.376	8	114.8015	3.387	12	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:2:4:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:O[5]-2: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]O[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CH3)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CH)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CH3)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,2|C<3>,3|H<1>,3|O<2>}	115.3470	2.539	5	114.8893	5.090	7	114.8484	4.376	8	114.8015	3.387	12	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:2:4:4:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:O[5]-2:C-4:C-4:	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]CC)(H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC[5]HH)(CH3)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CC)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC[5]HH)(CH3){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	116.1720	0.000	1	119.2265	18.660	2	119.2265	18.660	2	119.2265	18.660	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:2:4:4:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:O[5]-2:C-4:C-4:	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]CC)(H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC[5]HH)(CH3)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CC)(H){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC[5]HH)(CH3){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	122.2810	0.000	1	119.2265	18.660	2	119.2265	18.660	2	119.2265	18.660	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){2|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(H)2{2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]C[5]2H){5|H<1>,6|C<3>}	114.9400	0.000	1	114.9400	0.000	1	114.9400	0.000	1	115.1507	4.588	73	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-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]CC)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HH)(H){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(H)2{1|C<2>,1|C<4>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	117.2687	1.077	4	117.2687	1.161	4	115.2435	4.982	56	115.1507	4.588	73	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-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]CH)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(H)2{1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2H){4|C<3>,5|H<1>}	110.6670	2.348	2	110.6670	5.511	2	115.2435	4.982	56	115.1507	4.588	73	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-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]CH)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(H)2{1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){4|C<3>,5|H<1>}	112.4650	0.157	4	112.4650	0.025	4	115.2435	4.982	56	115.1507	4.588	73	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-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]CH)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2{1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,3|C<3>,5|H<1>}	118.3220	0.000	1	118.3220	0.000	1	115.2435	4.982	56	115.1507	4.588	73	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-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]CH)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){4|C<3>,5|H<1>}	116.1260	0.000	1	116.1260	0.000	1	115.2435	4.982	56	115.1507	4.588	73	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-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]HH)(C[5]C[5]HN)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HN)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	118.3800	0.000	1	118.3800	0.000	1	115.2435	4.982	56	115.1507	4.588	73	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-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]HH)(C[5]C[5]HN)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HN)(H){1|F<1>,1|H<1>,1|O<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	117.2070	0.000	1	117.2070	0.000	1	115.2435	4.982	56	115.1507	4.588	73	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-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]HH)(C[5]N[5]CC)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CC)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2{1|C<2>,1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,1|N<3>,3|C<3>,4|H<1>}	119.2730	0.000	1	117.8547	2.194	3	115.2435	4.982	56	115.1507	4.588	73	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-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]HH)(C[5]N[5]CC)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CC)(H){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2{1|C<4>,1|S<4>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	117.9730	0.000	1	117.8547	2.194	3	115.2435	4.982	56	115.1507	4.588	73	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-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]HH)(C[5]N[5]CC)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CC)(H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2{5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,4|C<3>,4|H<1>}	116.3180	0.000	1	117.8547	2.194	3	115.2435	4.982	56	115.1507	4.588	73	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-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]HH)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5a]N[5])(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5a]N[5])(H)2{1|C<2>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,1|N<2>,2|C<3>,5|H<1>}	116.5260	0.000	1	116.5260	0.000	1	115.2435	4.982	56	115.1507	4.588	73	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-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]HH)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(H)2{1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<2>,3|C<3>,5|H<1>}	113.6310	2.302	2	113.6310	5.301	2	115.2435	4.982	56	115.1507	4.588	73	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-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]HH)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]H)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]H)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	114.4870	0.000	1	114.4870	0.000	1	115.2435	4.982	56	115.1507	4.588	73	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-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]HH)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2{1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,3|C<3>,5|H<1>}	114.2080	0.000	1	114.1439	2.154	7	115.2435	4.982	56	115.1507	4.588	73	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-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]HH)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	113.4850	0.000	1	114.1439	2.154	7	115.2435	4.982	56	115.1507	4.588	73	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-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]HH)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	113.2985	0.945	2	114.1439	2.154	7	115.2435	4.982	56	115.1507	4.588	73	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-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]HH)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2{2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,3|C<3>,5|H<1>}	114.3045	2.501	2	114.1439	2.154	7	115.2435	4.982	56	115.1507	4.588	73	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-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]HH)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2{1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,3|C<3>,5|H<1>}	116.1080	0.000	1	114.1439	2.154	7	115.2435	4.982	56	115.1507	4.588	73	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-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]HH)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2{2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,2|C<3>,6|H<1>}	112.4890	0.000	1	112.4890	0.000	1	115.2435	4.982	56	115.1507	4.588	73	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-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]HH)(C[5]O[5]CC)(H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CC)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)2{1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	112.7590	0.000	1	114.4830	5.944	2	115.2435	4.982	56	115.1507	4.588	73	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-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]HH)(C[5]O[5]CC)(H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CC)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)2{4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|O<2>,4|C<3>,4|H<1>}	116.2070	0.000	1	114.4830	5.944	2	115.2435	4.982	56	115.1507	4.588	73	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-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]HH)(C[5]O[5]CC)(H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CC)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)2{2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	118.0340	0.000	1	118.0340	0.000	1	115.2435	4.982	56	115.1507	4.588	73	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-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]HH)(C[5]O[5]CF)(H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CF)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)2{1|C<4>,1|F<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|F<1>,1|O<2>,2|C<3>,4|H<1>}	117.4320	0.000	1	117.4320	0.000	1	115.2435	4.982	56	115.1507	4.588	73	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-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]HH)(C[5]O[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CH)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	114.7090	0.000	1	114.7090	0.000	1	115.2435	4.982	56	115.1507	4.588	73	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-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]HH)(C[5]O[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CH)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	115.8290	1.439	4	115.8892	1.786	10	115.2435	4.982	56	115.1507	4.588	73	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-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]HH)(C[5]O[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CH)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,2|C<3>,3|H<1>,3|O<2>}	116.1570	1.439	5	115.8892	1.786	10	115.2435	4.982	56	115.1507	4.588	73	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-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]HH)(C[5]O[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CH)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)2{1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|O<2>,3|C<3>,5|H<1>}	114.7910	0.000	1	115.8892	1.786	10	115.2435	4.982	56	115.1507	4.588	73	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-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]HH)(C[5]O[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)2{2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){1|O<2>,2|C<3>,6|H<1>}	116.4903	2.855	3	116.4903	8.154	3	115.2435	4.982	56	115.1507	4.588	73	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-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]HH)2(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H){1|N<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(H)2{1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){3|C<3>,6|H<1>}	115.8220	0.083	2	115.8220	0.007	2	115.2435	4.982	56	115.1507	4.588	73	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-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]HH)2(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]N)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H){1|N<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]N)(H)2{2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){3|C<3>,6|H<1>}	115.5775	0.455	2	115.5775	0.207	2	115.2435	4.982	56	115.1507	4.588	73	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-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]HH)2(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H){1|O<1>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,2|C<3>,6|H<1>}	116.2240	0.000	1	116.2240	0.000	1	115.2435	4.982	56	115.1507	4.588	73	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-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]HH)2(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5a]C[5])(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H){2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5a]C[5])(H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){3|C<3>,6|H<1>}	113.3675	1.627	4	113.3675	2.647	4	115.2435	4.982	56	115.1507	4.588	73	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C[5]-4:	C[5](C[6a]C[6a,6a]2)(C[5]C[5,5]CH)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]C[5]2H)	C[5](C[6a]C[6a,6a]2)(C[5]C[5,5]CH)(C[5]N[5]HH)(H){1|C<4>,6|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2{1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]C[5]2H){1|C<4>,1|N<3>,5|H<1>,6|C<3>}	117.5180	0.000	1	117.5180	0.000	1	117.5180	0.000	1	115.1507	4.588	73	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	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)(C[5]C[5]CC)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]HH)(H){1|Se<1>,1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(H)2{1|Se<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	114.2240	1.198	2	114.2240	1.435	2	114.6606	3.329	15	115.1507	4.588	73	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	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)(C[5]C[5]CC)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]HH)(H){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(H)2{1|C<4>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	117.8080	0.000	1	117.8080	0.000	1	114.6606	3.329	15	115.1507	4.588	73	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	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)(C[5]C[5]CH)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	113.8900	0.000	1	113.8900	0.000	1	114.6606	3.329	15	115.1507	4.588	73	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	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)(C[5]C[5]CH)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(H)2{1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,3|C<3>,5|H<1>}	114.8925	1.569	2	114.8925	2.462	2	114.6606	3.329	15	115.1507	4.588	73	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	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)(C[5]C[5]CH)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H){1|S<4>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	116.4810	0.000	1	113.8335	14.019	2	114.6606	3.329	15	115.1507	4.588	73	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	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)(C[5]C[5]CH)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H){1|S<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	111.1860	0.000	1	113.8335	14.019	2	114.6606	3.329	15	115.1507	4.588	73	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	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)(C[5]C[5]CH)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H){1|Cl<1>,1|N<2>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(H)2{3|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	115.1610	0.000	1	115.1610	0.000	1	114.6606	3.329	15	115.1507	4.588	73	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	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)(C[5]C[5]CH)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(H)2{1|H<1>,1|O<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,3|C<3>,5|H<1>}	115.0660	0.000	1	115.0660	0.000	1	114.6606	3.329	15	115.1507	4.588	73	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	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)(C[5]C[5]CN)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(C[5]N[5]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	117.5190	0.000	1	117.5190	0.000	1	114.6606	3.329	15	115.1507	4.588	73	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	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)(C[5]C[5]HH)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(H)2{1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,2|C<3>,6|H<1>}	112.7760	0.000	1	112.7760	0.000	1	114.6606	3.329	15	115.1507	4.588	73	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	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)(C[5]C[5]HH)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	114.9740	0.000	1	113.8440	2.554	2	114.6606	3.329	15	115.1507	4.588	73	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	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)(C[5]C[5]HH)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|S<4>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2{2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	112.7140	0.000	1	113.8440	2.554	2	114.6606	3.329	15	115.1507	4.588	73	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	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)(C[5]C[5]HN)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]HH)(H){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<3>,2|N<3>,5|H<1>}	114.1010	0.000	1	114.1010	0.000	1	114.6606	3.329	15	115.1507	4.588	73	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:1:1:	3:4:3:	C[6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5](C[6a]C[6a,6a]C[6a])(C[5,5]C[5]3)(C[5]C[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]O)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5,5]C[5]3)(C[5]C[5]HH)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|O<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]O)(H)2{5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H){4|H<1>,7|C<3>}	116.4810	0.000	1	116.4810	0.000	1	116.4810	0.000	1	116.0977	0.564	6	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:1:1:	3:4:3:	C[6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,5]C[6]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6]C[5]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,5]C[6]2)(C[5]N[5]HH)(H){1|O<1>,2|C<4>,3|H<1>,6|C<3>}	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6]C[5]H)(C[6a]C[6a]H){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	116.0210	0.813	5	116.0210	0.660	5	116.0210	0.660	5	116.0977	0.564	6	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:2:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:N-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)2(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(NN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)2(H){3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(NN)(H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H){1|N<2>,1|N<3>,3|C<3>,4|H<1>}	115.3830	0.000	1	115.3830	0.000	1	115.3830	0.000	1	115.3508	4.759	10	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:2:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:O-2: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]C[5]HO)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(OH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]HO)(H){2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(OH)(H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	114.2190	1.356	2	114.2190	1.839	2	115.3472	5.354	9	115.3508	4.759	10	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:2:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:O-2: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]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(OH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]CH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(OH)(H){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	115.6696	2.507	7	115.6696	6.286	7	115.3472	5.354	9	115.3508	4.759	10	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:2:2:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:C-2:C-2:	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]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CN)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH)(H){3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CN)2{2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<2>,3|H<1>,4|C<3>}	112.7505	2.802	2	112.7505	7.853	2	116.5863	12.872	6	116.5863	12.872	6	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:2:2:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:C-2:C-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)2(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]N)(CN)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)2(H){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]N)(CN)2{2|C<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|H<1>,3|C<3>,4|C<2>}	120.2620	0.027	2	120.2620	0.001	2	116.5863	12.872	6	116.5863	12.872	6	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:2:2:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:C-2:C-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)2(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(CN)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)2(H){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(CN)2{1|N<3>,2|C<2>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|H<1>,3|C<3>,4|C<2>}	116.7465	0.076	2	116.7465	0.006	2	116.5863	12.872	6	116.5863	12.872	6	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:3:1:	2:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C[6a]-3:H-1:	N[6a]-2:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(C[5]O[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(C[5]O[5]HH)(H){1|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|N<2>,4|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[5]C[5]2H){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	115.5620	0.000	1	115.5620	0.000	1	115.5620	0.000	1	115.5620	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:C-3: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]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(CCO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH)(H){3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(CCO)(H){1|C<2>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,3|H<1>,5|C<3>}	119.3570	0.000	1	119.3570	0.000	1	115.6881	5.354	17	115.0217	5.596	69	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:C-3: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]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(COO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH)(H){3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(COO)(H){2|C<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<2>,3|H<1>,4|C<3>}	118.0580	2.000	2	118.0580	3.999	2	115.6881	5.354	17	115.0217	5.596	69	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:C-3: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)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CC[6a]O)(H){2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2H){4|C<3>,5|H<1>}	113.2845	1.575	2	113.2845	2.480	2	115.6881	5.354	17	115.0217	5.596	69	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:C-3: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)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CC[6a]O)(H){2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){4|C<3>,5|H<1>}	113.1590	0.269	4	113.1590	0.072	4	115.6881	5.354	17	115.0217	5.596	69	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:C-3: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)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(CC[6a]O)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){4|C<3>,5|H<1>}	117.0450	0.000	1	117.0450	0.000	1	115.6881	5.354	17	115.0217	5.596	69	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:C-3: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]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CCO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CCO)(H){2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,3|C<3>,5|H<1>}	116.3170	0.000	1	116.3170	0.000	1	115.6881	5.354	17	115.0217	5.596	69	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:C-3: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]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CC[6a]O)(H){2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,3|C<3>,5|H<1>}	115.8380	0.000	1	115.8380	0.000	1	115.6881	5.354	17	115.0217	5.596	69	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:C-3: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]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(COO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(COO)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,3|C<3>,5|H<1>}	116.0060	0.000	1	116.0060	0.000	1	115.6881	5.354	17	115.0217	5.596	69	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:C-3: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]O[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(COO)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]O[5]CH)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(COO)(H){1|H<1>,3|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H){2|O<2>,3|H<1>,4|C<3>}	118.6090	0.000	1	118.6090	0.000	1	115.6881	5.354	17	115.0217	5.596	69	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:C-3: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]O[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(COO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]O[5]CH)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(COO)(H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|O<2>,4|C<3>,4|H<1>}	117.0520	0.000	2	117.0520	0.000	2	115.6881	5.354	17	115.0217	5.596	69	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)2(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CCH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)2(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CCH)(H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,4|C<3>,4|H<1>}	114.1000	0.000	1	114.1000	0.000	1	115.6881	5.354	17	115.0217	5.596	69	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:N-3: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]C[5]HO)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(NCO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]HO)(H){2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(NCO)(H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	112.2600	0.632	2	112.2600	0.400	2	113.0403	1.176	4	115.0217	5.596	69	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:N-3: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]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(NHH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]HH)(H){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(NHH)(H){2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<3>,2|N<3>,5|H<1>}	113.2320	0.000	1	113.2320	0.000	1	113.0403	1.176	4	115.0217	5.596	69	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)2(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(NCN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)2(H){3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(NCN)(H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H){1|N<2>,1|N<3>,3|C<3>,4|H<1>}	114.4090	0.000	1	114.4090	0.000	1	113.0403	1.176	4	115.0217	5.596	69	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){2|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)(H){4|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]C[5]2H){5|H<1>,6|C<3>}	111.2110	0.000	1	111.2110	0.000	1	111.2110	0.000	1	115.0217	5.596	69	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3: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]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]CH)(H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H){1|C<2>,1|C<4>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	117.0370	1.663	2	116.7841	5.428	9	115.0304	5.511	47	115.0217	5.596	69	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3: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]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]CH)(H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H){1|C<2>,1|C<4>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,1|C<4>,2|H<1>,2|N<3>,3|C<3>}	115.8990	0.000	1	116.7841	5.428	9	115.0304	5.511	47	115.0217	5.596	69	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3: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]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]CH)(H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H){1|C<4>,2|C<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,1|O<2>,2|C<2>,2|C<3>,2|H<1>}	118.5290	0.000	1	116.7841	5.428	9	115.0304	5.511	47	115.0217	5.596	69	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3: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]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]CH)(H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H){1|C<4>,2|C<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,2|C<2>,2|C<3>,3|H<1>}	118.2513	0.964	3	116.7841	5.428	9	115.0304	5.511	47	115.0217	5.596	69	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3: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]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]CH)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	113.9005	3.429	2	116.7841	5.428	9	115.0304	5.511	47	115.0217	5.596	69	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3: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]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	112.8010	0.000	1	112.8010	0.000	1	115.0304	5.511	47	115.0217	5.596	69	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3: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]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	116.4487	1.316	7	116.4487	1.732	7	115.0304	5.511	47	115.0217	5.596	69	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(C[5]N[5]CH)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	111.7995	3.071	2	111.7995	9.431	2	115.0304	5.511	47	115.0217	5.596	69	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]FN)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]FN)(C[5]N[5]CH)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H){1|F<1>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|F<1>,2|C<3>,2|N<3>,3|H<1>}	116.7210	0.000	1	116.7210	0.000	1	115.0304	5.511	47	115.0217	5.596	69	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3: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]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(CNO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(CNO)(H){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	114.6161	2.042	8	114.3500	4.286	9	115.0304	5.511	47	115.0217	5.596	69	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3: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]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(CNO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(CNO)(H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	112.2210	0.000	1	114.3500	4.286	9	115.0304	5.511	47	115.0217	5.596	69	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3: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]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(COO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|Br<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(COO)(H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	113.9950	1.259	2	113.9950	1.584	2	115.0304	5.511	47	115.0217	5.596	69	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3: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]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CNO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CNO)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,3|C<3>,5|H<1>}	115.3290	0.000	1	115.3290	0.000	1	115.0304	5.511	47	115.0217	5.596	69	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3: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]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,3|C<3>,5|H<1>}	113.3200	0.000	1	113.3200	0.000	1	115.0304	5.511	47	115.0217	5.596	69	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3: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]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]N)(COO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]N)(COO)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,3|C<3>,5|H<1>}	113.7650	0.000	1	113.7650	0.000	1	115.0304	5.511	47	115.0217	5.596	69	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3: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]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(CCO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|O<1>,1|S<4>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(CCO)(H){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	116.6140	0.000	1	114.7170	7.197	2	115.0304	5.511	47	115.0217	5.596	69	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3: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]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(CCO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|O<2>,1|S<4>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(CCO)(H){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	112.8200	0.000	1	114.7170	7.197	2	115.0304	5.511	47	115.0217	5.596	69	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3: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]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(CCO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(CCO)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,3|C<3>,5|H<1>}	108.4970	0.000	1	108.4970	0.000	1	115.0304	5.511	47	115.0217	5.596	69	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3: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]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(CC[6a]O)(H){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	114.7970	0.000	1	114.7970	0.000	1	115.0304	5.511	47	115.0217	5.596	69	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3: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]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(COO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(COO)(H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	114.1430	0.000	1	115.7560	1.978	3	115.0304	5.511	47	115.0217	5.596	69	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3: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]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(COO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H){3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(COO)(H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	116.5625	0.231	2	115.7560	1.978	3	115.0304	5.511	47	115.0217	5.596	69	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3: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]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CC[6a]O)(H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	117.5620	0.000	1	117.5620	0.000	1	115.0304	5.511	47	115.0217	5.596	69	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3: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]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	115.9300	0.000	1	114.3003	1.269	4	115.0304	5.511	47	115.0217	5.596	69	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3: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]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	113.7770	0.000	1	114.3003	1.269	4	115.0304	5.511	47	115.0217	5.596	69	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3: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]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H){3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	113.7470	0.515	2	114.3003	1.269	4	115.0304	5.511	47	115.0217	5.596	69	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(COO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(C[5]N[5]CH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(COO)(H){1|H<1>,1|O<1>,1|S<4>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,1|S<4>,3|C<3>,4|H<1>}	112.7960	0.000	1	112.7960	0.000	1	115.0304	5.511	47	115.0217	5.596	69	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:3:1:	3:4:2:	C[6a]-3:C[5]-4:C[5]-4:F-1:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:C[5]-4:N[6a]-2:	C[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(C[5]N[5]CH)(F)	C[5](C[5]C[6a]C[5]F)(N[5]C[5]H)(COO)(H)	C[6a](C[6a]C[6a]H)(C[5]C[5]2F)(N[6a]C[6a])	C[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(C[5]N[5]CH)(F){3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]F)(N[5]C[5]H)(COO)(H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[5]C[5]2F)(N[6a]C[6a]){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	115.1370	0.000	1	115.1370	0.000	1	115.1370	0.000	1	115.1370	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:3:1:	4:3:2:	C[6a]-3:C[5]-4:N[5]-4:H-1:	C[5]-4:C[6]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:N[6a]-2:	C[5](C[6a]C[6a]N[6a])(C[5]C[6]N[5]H)(N[5]C[5]FeC)(H)	C[5](C[5]C[6a]N[5]H)(C[6]C[6]N[6])(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[5](C[6a]C[6a]N[6a])(C[5]C[6]N[5]H)(N[5]C[5]FeC)(H){1|N<3>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6]C[6]N[6])(N[5]C[5]C)(H){1|Fe<6>,1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Fe<6>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	111.4280	0.000	1	111.4280	0.000	1	111.4280	0.000	1	111.4280	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:3:2:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:C-3:C-2:	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]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(COO)(CN)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH)(H){3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(COO)(CN){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,3|H<1>,5|C<3>}	113.6090	0.000	1	113.6090	0.000	1	113.6090	0.000	1	113.8095	0.080	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:3:2:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:C-2:	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]CC)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(COO)(CN)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CC)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(COO)(CN){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,1|N<3>,3|C<3>,4|H<1>}	114.0100	0.000	1	114.0100	0.000	1	114.0100	0.000	1	113.8095	0.080	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:3:3:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CC)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CC)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	115.5380	0.000	1	115.5380	0.000	1	115.9335	2.000	4	115.9335	2.000	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:3:3:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:C-3:	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]CC)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(CCN)(CNO)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CC)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(CCN)(CNO){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	117.4030	0.000	1	117.4030	0.000	1	115.9335	2.000	4	115.9335	2.000	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:3:3:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:C-3:	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]CC)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)2	C[6a](C[6a]C[6a]O)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CC)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]O)2(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	114.1500	0.000	1	114.1500	0.000	1	115.9335	2.000	4	115.9335	2.000	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:3:3:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:C-3:	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]CC)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(COO)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CC)(H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(COO)2{1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,4|C<3>,4|H<1>}	116.6430	0.000	1	116.6430	0.000	1	115.9335	2.000	4	115.9335	2.000	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:4:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-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]CH)(C[5]O[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCHO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]O[5]HH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCHO)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	115.3680	0.000	1	115.3680	0.000	1	115.3680	0.000	1	115.1260	4.402	22	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:4:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:P-4: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]C[5]HP)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(PO3)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]HP)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(PO3)(H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|N<3>,1|O<2>,1|P<4>,2|C<3>,3|H<1>}	117.4830	0.000	1	117.4830	0.000	1	117.4830	0.000	1	115.1260	4.402	22	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:4:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:S-4:F-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]FS)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]H)(SC[6a]OO)(F)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]FS)(C[5]N[5]CH)(H){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]H)(SC[6a]OO)(F){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|F<1>,1|N<3>,1|S<4>,2|C<3>,3|H<1>}	117.1720	0.000	1	117.1720	0.000	1	117.1720	0.000	1	115.1260	4.402	22	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:4:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:S-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]HS)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(SCOO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HS)(H){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(SCOO)(H){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|S<4>,2|C<3>,5|H<1>}	116.0695	2.123	2	116.0695	4.509	2	115.3992	1.544	5	115.1260	4.402	22	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:4:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:S-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]HS)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HS)(H){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(SC[6a]OO)(H){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|S<4>,2|C<3>,5|H<1>}	115.0760	0.279	2	115.0760	0.078	2	115.3992	1.544	5	115.1260	4.402	22	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:4:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:S-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(C[5]N[5]CH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(SC[6a]OO)(H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,1|S<4>,3|C<3>,4|H<1>}	114.7050	0.000	1	114.7050	0.000	1	115.3992	1.544	5	115.1260	4.402	22	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:4:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-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]CH)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CF3)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H){3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CF3)(H){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	112.8440	0.000	1	112.8440	0.000	1	114.6966	5.655	14	115.1260	4.402	22	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:4:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-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]CH)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H){1|O<2>,1|S<4>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	114.2820	0.000	1	114.2820	0.000	1	114.6966	5.655	14	115.1260	4.402	22	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:4:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-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]FS)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]O)(CH3)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]FS)(C[5]N[5]CH)(H){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]O)(CH3)(H){1|F<1>,1|H<1>,1|S<4>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|F<1>,1|N<3>,1|S<4>,2|C<3>,3|H<1>}	117.8180	0.000	1	117.8180	0.000	1	114.6966	5.655	14	115.1260	4.402	22	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:4:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-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]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CC[6a]HO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CC[6a]HO)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	115.3360	0.000	1	115.3360	0.000	1	114.6966	5.655	14	115.1260	4.402	22	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:4:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-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]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]O)(CBrHH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]O)(CBrHH)(H){2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	114.4560	0.000	1	114.4560	0.000	1	114.6966	5.655	14	115.1260	4.402	22	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:4:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-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]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(CC[6a]HO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(CC[6a]HO)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	110.3550	0.000	1	110.3550	0.000	1	114.6966	5.655	14	115.1260	4.402	22	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:4:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-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]HN)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CF3)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H){1|Br<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CF3)(H){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	117.1850	0.000	1	117.1850	0.000	1	114.6966	5.655	14	115.1260	4.402	22	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:4:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-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]HO)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(CC[6a]HO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]CH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(CC[6a]HO)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	114.7823	2.402	7	114.7823	5.768	7	114.6966	5.655	14	115.1260	4.402	22	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:4:1:	3:4:3:	C[6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5](C[6a]C[6a,6a]C[6a])(C[5,5]C[5,5]C[5]2)(C[5]N[5]CH)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]H)(CF3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5,5]C[5,5]C[5]2)(C[5]N[5]CH)(H){1|N<3>,1|O<1>,4|H<1>,6|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]H)(CF3)(H){1|C<4>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H){1|N<3>,3|C<4>,3|H<1>,4|C<3>}	116.4030	0.000	1	116.4030	0.000	1	116.4030	0.000	1	116.4030	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:4:2:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:C-2:	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)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]N)(CCHH)(CN)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HH)(H){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]N)(CCHH)(CN){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	116.6165	1.715	2	116.6165	2.940	2	116.5733	1.310	4	116.5733	1.310	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:4:2:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:C-2:	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)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]N)(CH3)(CN)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HH)(H){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]N)(CH3)(CN){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	116.5300	0.991	2	116.5300	0.983	2	116.5733	1.310	4	116.5733	1.310	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:4:3:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CHHN)(COO)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]HH)(H){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CHHN)(COO){2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	115.9560	0.000	1	115.9560	0.000	1	115.9560	0.000	1	115.8344	5.110	7	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:4:3:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]CC)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CH3)(COO)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]CC)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CH3)(COO){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	112.2990	0.000	1	112.2990	0.000	1	115.8142	6.128	6	115.8344	5.110	7	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:4:3:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-4:C-3:	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]CC)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(CH3)(COO)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CC)(H){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(CH3)(COO){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	113.9840	0.000	1	113.9840	0.000	1	115.8142	6.128	6	115.8344	5.110	7	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:4:3:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-4:C-3:	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]CC)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CC[5a]HH)(COO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CC)(H){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CC[5a]HH)(COO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]C[5]2H){2|C<3>,2|C<4>,2|N<3>,3|H<1>}	117.8520	0.000	1	117.8520	0.000	1	115.8142	6.128	6	115.8344	5.110	7	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:4:3:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-4:C-3:	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]CC)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CC[5a]HH)(COO)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CC)(H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CC[5a]HH)(COO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<3>,2|C<4>,2|N<3>,3|H<1>}	115.8270	0.110	2	115.8270	0.012	2	115.8142	6.128	6	115.8344	5.110	7	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:4:3:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-4:C-3:	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]CC)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CC[6a]HH)(COO)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CC)(H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CC[6a]HH)(COO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<3>,2|C<4>,2|N<3>,3|H<1>}	119.0960	0.000	1	119.0960	0.000	1	115.8142	6.128	6	115.8344	5.110	7	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:4:4:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]Se)(CC[6a]CH)(CCHH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]HH)(H){1|Se<1>,1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]Se)(CC[6a]CH)(CCHH){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	114.5180	0.000	1	114.5180	0.000	1	116.4120	7.174	2	116.4120	7.174	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:3:4:4:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]Se)(CC[6a]CH)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]HH)(H){1|Se<1>,1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]Se)(CC[6a]CH)(CC[6a]HH){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	118.3060	0.000	1	118.3060	0.000	1	116.4120	7.174	2	116.4120	7.174	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-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]CC)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){2|C<3>,3|H<1>,4|C<4>}	115.5170	0.000	1	115.5170	0.000	1	115.3272	3.033	101	115.2670	3.062	105	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-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)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H){2|C<3>,3|C<4>,4|H<1>}	114.2200	0.185	2	114.2200	0.034	2	115.3272	3.033	101	115.2670	3.062	105	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-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)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<3>,2|C<4>,5|H<1>}	114.3310	0.000	1	114.3310	0.000	1	115.3272	3.033	101	115.2670	3.062	105	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-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)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<3>,2|C<4>,5|H<1>}	113.7810	0.000	1	113.7810	0.000	1	115.3272	3.033	101	115.2670	3.062	105	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-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)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CO)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|O<2>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CO)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,3|C<4>,5|H<1>}	113.9605	0.008	2	113.9605	0.000	2	115.3272	3.033	101	115.2670	3.062	105	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-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)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	C[6a](C[6a]C[6a]C)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)2(C[5]C[5]2H){2|C<3>,2|C<4>,5|H<1>}	114.4910	0.000	1	114.4910	0.000	1	115.3272	3.033	101	115.2670	3.062	105	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-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)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|N<3>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<3>,2|C<4>,5|H<1>}	113.8430	0.042	2	114.7733	2.786	4	115.3272	3.033	101	115.2670	3.062	105	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-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)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|N<4>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{1|N<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<3>,2|C<4>,5|H<1>}	114.1390	0.000	1	114.7733	2.786	4	115.3272	3.033	101	115.2670	3.062	105	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-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)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){2|C<3>,6|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,3|C<4>,5|H<1>}	117.2680	0.000	1	114.7733	2.786	4	115.3272	3.033	101	115.2670	3.062	105	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-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]HO)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2{2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	114.8123	1.390	3	114.8123	1.932	3	115.3272	3.033	101	115.2670	3.062	105	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-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]HO)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<3>,1|O<1>,1|O<2>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(C[5]C[5]2H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	115.5510	0.182	2	115.5510	0.033	2	115.3272	3.033	101	115.2670	3.062	105	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-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]HO)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	116.0760	0.000	1	116.0760	0.000	1	115.3272	3.033	101	115.2670	3.062	105	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-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]HO)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	116.2360	0.434	2	116.2360	0.188	2	115.3272	3.033	101	115.2670	3.062	105	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-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]HS)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HS)(H){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,1|S<4>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|S<4>,2|C<3>,5|H<1>}	113.2435	1.052	4	113.2435	1.106	4	115.3272	3.033	101	115.2670	3.062	105	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-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]N[5]CC)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CH)(H)2	C[6a](C[6a]C[6a]O)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CC)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CH)(H)2{1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]O)2(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	115.5310	0.000	1	115.5310	0.000	1	115.3272	3.033	101	115.2670	3.062	105	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-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]N[5]CC)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CC)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(H)2{5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	116.0730	0.000	1	116.0730	0.000	1	115.3272	3.033	101	115.2670	3.062	105	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-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]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|Br<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(H)2{1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	114.4360	0.608	2	114.4360	0.370	2	115.3272	3.033	101	115.2670	3.062	105	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-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]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(H)2{1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	118.8580	0.000	1	118.8580	0.000	1	115.3272	3.033	101	115.2670	3.062	105	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-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]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CO)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CO)(H)2{1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	117.0700	0.000	1	117.0700	0.000	1	115.3272	3.033	101	115.2670	3.062	105	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-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]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(H)2{1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	116.8708	1.836	8	116.8708	3.369	8	115.3272	3.033	101	115.2670	3.062	105	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-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]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HO)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|O<1>,1|S<4>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HO)(H)2{1|H<1>,1|S<4>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	117.0590	0.000	1	117.1685	0.024	2	115.3272	3.033	101	115.2670	3.062	105	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-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]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HO)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|O<2>,1|S<4>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HO)(H)2{1|H<1>,1|S<4>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	117.2780	0.000	1	117.1685	0.024	2	115.3272	3.033	101	115.2670	3.062	105	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-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]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CH)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CH)(H)2{1|S<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	114.1720	0.000	1	114.1720	0.000	1	115.3272	3.033	101	115.2670	3.062	105	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-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]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|S<4>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(H)2{1|S<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	117.7980	0.000	1	117.7980	0.000	1	115.3272	3.033	101	115.2670	3.062	105	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-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]CC)(H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CC)(H){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(H)2{2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	114.5710	0.000	1	114.5710	0.000	1	115.3272	3.033	101	115.2670	3.062	105	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-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]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CH)(H){2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(H)2{1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	115.5080	0.000	1	115.5080	0.000	1	115.3272	3.033	101	115.2670	3.062	105	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-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]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]CH)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]O[5]CH)(H)2{2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	119.1170	0.000	1	119.1170	0.000	1	115.3272	3.033	101	115.2670	3.062	105	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-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]HO)(H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]HO)(H){2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	115.6670	0.000	1	115.6670	0.000	1	115.3272	3.033	101	115.2670	3.062	105	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-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]P[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]P[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]P[5]HH)(H){1|Pd<4>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]P[5]HH)(H)2{1|Pd<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|C<4>,1|O<2>,1|P<4>,5|H<1>}	115.3120	0.000	1	115.3120	0.000	1	115.3272	3.033	101	115.2670	3.062	105	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-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]S[5]CF)(H)	C[5](C[5]C[6a]C[5]H)(C[5]S[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]S[5]CF)(H){2|C<3>,2|O<1>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]S[5]HH)(H)2{1|F<1>,2|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|Cl<1>,1|C<4>,1|F<1>,1|S<4>,2|C<3>,2|H<1>}	116.7570	0.000	1	116.7570	0.000	1	115.3272	3.033	101	115.2670	3.062	105	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-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]S[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]S[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]S[5]CH)(H){2|C<3>,2|O<1>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]S[5]HH)(H)2{1|H<1>,2|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|S<4>,2|C<3>,5|H<1>}	113.0520	0.023	2	113.0520	0.001	2	115.3272	3.033	101	115.2670	3.062	105	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-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]S[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]S[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]S[5]HH)(H){2|C<3>,2|O<1>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]S[5]HH)(H)2{2|C<3>,2|H<1>,2|O<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|C<4>,1|S<4>,6|H<1>}	112.2265	0.344	2	112.2265	0.119	2	115.3272	3.033	101	115.2670	3.062	105	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-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)2(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H){1|C<4>,2|C<2>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,2|C<4>,6|H<1>}	112.7370	0.000	1	114.0350	3.370	2	115.3272	3.033	101	115.2670	3.062	105	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-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)2(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H){1|O<2>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,2|C<4>,6|H<1>}	115.3330	0.000	1	114.0350	3.370	2	115.3272	3.033	101	115.2670	3.062	105	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-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)2(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H){1|C<4>,2|C<2>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2{2|C<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,2|C<4>,6|H<1>}	116.5030	0.000	1	114.8760	5.294	2	115.3272	3.033	101	115.2670	3.062	105	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-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)2(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H){1|O<1>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2{1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,2|C<3>,6|H<1>}	113.2490	0.000	1	114.8760	5.294	2	115.3272	3.033	101	115.2670	3.062	105	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-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)2(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CN)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H){1|N<4>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CN)(H)2{2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,2|C<4>,6|H<1>}	114.7115	1.727	2	114.7115	2.984	2	115.3272	3.033	101	115.2670	3.062	105	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-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)2(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H){2|C<3>,6|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H){2|C<3>,2|C<4>,5|H<1>}	115.9036	2.192	10	115.9036	4.805	10	115.3272	3.033	101	115.2670	3.062	105	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-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)2(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H){1|N<3>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2H){1|C<3>,3|C<4>,5|H<1>}	114.7844	1.543	14	114.8634	2.170	16	115.3272	3.033	101	115.2670	3.062	105	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-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)2(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H){1|N<3>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2H){1|C<3>,4|C<4>,4|H<1>}	115.4165	0.944	2	114.8634	2.170	16	115.3272	3.033	101	115.2670	3.062	105	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-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)2(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H){1|O<2>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){2|C<3>,3|C<4>,4|H<1>}	116.7735	1.733	4	116.1405	4.103	6	115.3272	3.033	101	115.2670	3.062	105	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-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)2(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H){1|O<2>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){2|C<4>,3|C<3>,4|H<1>}	114.8745	2.587	2	116.1405	4.103	6	115.3272	3.033	101	115.2670	3.062	105	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-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)2(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H){1|N<4>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{1|N<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,2|C<4>,6|H<1>}	116.0815	1.490	2	116.0815	2.220	2	115.3272	3.033	101	115.2670	3.062	105	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-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)2(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H){1|H<1>,3|O<2>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(H)2{1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){1|C<3>,2|C<4>,6|H<1>}	115.3577	0.548	6	115.3577	0.301	6	115.3272	3.033	101	115.2670	3.062	105	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-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)2(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H){1|O<2>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(H)2{2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,2|C<4>,6|H<1>}	115.4430	0.000	1	115.6663	2.662	3	115.3272	3.033	101	115.2670	3.062	105	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-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)2(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H){2|H<1>,2|O<2>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(H)2{1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,2|C<4>,6|H<1>}	115.7780	2.291	2	115.6663	2.662	3	115.3272	3.033	101	115.2670	3.062	105	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-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]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]CH)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]CH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<4>,2|C<3>,5|H<1>}	114.0700	0.000	1	114.0700	0.000	1	114.0700	0.000	1	115.2670	3.062	105	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:S[5]-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]S[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(S[5]C[5]OO)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]S[5]HH)(H){2|C<3>,2|O<1>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(S[5]C[5]OO)(H)2{2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|C<4>,1|S<4>,6|H<1>}	112.7485	0.821	2	112.7485	0.674	2	112.7485	0.674	2	115.2670	3.062	105	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	P[5]-4:C[5]-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]P[5]HH)(H)	C[5](P[5]C[6a]C[5]Pd)(C[5]C[6a]C[5]H)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]P[5]HH)(H){1|Pd<4>,3|C<3>,4|H<1>}	C[5](P[5]C[6a]C[5]Pd)(C[5]C[6a]C[5]H)(H)2{4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|C<4>,1|O<2>,1|P<4>,5|H<1>}	115.4190	0.000	1	115.4190	0.000	1	115.4190	0.000	1	115.2670	3.062	105	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:1:1:	3:4:2:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:O[6a]-2:	C[5](C[6a]C[5,6a]O[6a])(C[5]C[5]HH)2(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[5]C[5]2H)(O[6a]C[6a])	C[5](C[6a]C[5,6a]O[6a])(C[5]C[5]HH)2(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5]C[5]2H)(O[6a]C[6a]){2|C<4>,2|O<1>,3|C<3>,4|H<1>}	112.7225	0.063	2	112.7225	0.004	2	112.7225	0.004	2	112.7225	0.004	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:1:1:	4:3:2:	C[6a]-3:C[5]-4:N[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:N[6a]-2:	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(N[5]C[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(N[5]C[5]HH)(H){2|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,3|C<4>,5|H<1>}	114.3730	0.000	1	114.3730	0.000	1	114.3730	0.000	1	114.3730	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-4:H-1:	C[5]-4:C[5]-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]CH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]CH)(H){1|C<3>,1|N<2>,6|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,3|C<4>,4|H<1>}	115.9810	1.073	2	115.9810	1.152	2	117.3247	2.802	4	117.2155	2.419	12	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-4:H-1:	C[5]-4:C[5]-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]HH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,6|H<1>}	118.5430	0.000	1	118.5430	0.000	1	117.3247	2.802	4	117.2155	2.419	12	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-4:H-1:	C[5]-4:C[5]-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]HH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]N[6a]H)(C[6a]N[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]HH)(H){1|C<4>,1|O<1>,2|N<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]N[6a]H)(C[6a]N[6a]O){1|C<3>,2|C<4>,6|H<1>}	118.7940	0.000	1	118.7940	0.000	1	117.3247	2.802	4	117.2155	2.419	12	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:P[5]-4:H-1:	B[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]B[5]HH)(P[5]N[5]CC)(H)	C[5](B[5]C[6a]2N[5])(C[5]C[6a]P[5]H)(H)2	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]B[5]HH)(P[5]N[5]CC)(H){2|H<1>,5|C<3>}	C[5](B[5]C[6a]2N[5])(C[5]C[6a]P[5]H)(H)2{2|C<4>,7|C<3>}	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2{1|B<4>,1|C<3>,1|N<3>,2|C<4>,4|H<1>}	116.1220	0.000	1	116.1220	0.000	1	116.1220	0.000	1	117.2155	2.419	12	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:P[5]-4:H-1:	C[5]-4:C[5]-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)(P[5]C[5]BC)(H)	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]C[5]BC)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2{1|B<4>,1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2{1|B<4>,1|C<3>,3|C<4>,4|H<1>}	117.6033	2.175	4	117.6033	4.731	4	117.2465	3.347	6	117.2155	2.419	12	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:P[5]-4:H-1:	C[5]-4:C[5]-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)(P[5]C[5]OO)(H)	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]C[5]OO)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	116.5330	1.007	2	116.5330	1.014	2	117.2465	3.347	6	117.2155	2.419	12	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:S[5]-4:H-1:	C[5]-4:C[5]-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)(S[5]C[5]OO)(H)	C[5](C[5]C[6a]S[5]H)(C[5]C[5]HH)(H)2	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5]OO)(H){2|C<3>,6|H<1>}	C[5](C[5]C[6a]S[5]H)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>,2|O<1>}	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|O<1>,4|H<1>}	117.6860	0.000	1	117.6860	0.000	1	117.6860	0.000	1	117.2155	2.419	12	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:2:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C-4:O[5]-2: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]CH)(H)	C[5](C[5]C[6a]C[5]H)(CC[6a]HO)(O[5]C[5])(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CH)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(CC[6a]HO)(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	115.6870	0.839	2	115.6870	0.703	2	114.1380	7.550	3	115.1810	7.832	13	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:2:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C-4:O[5]-2: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]CH)(H)	C[5](C[5]C[6a]C[5]H)(CC[6a]HO)(O[5]C[5])(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]O[5]CH)(H){3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(CC[6a]HO)(O[5]C[5])(H){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[5]C[5]2H){2|C<4>,3|C<3>,3|H<1>,3|O<2>}	111.0400	0.000	1	111.0400	0.000	1	114.1380	7.550	3	115.1810	7.832	13	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:2:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:O-2: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]HO)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(OC)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HO)(H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(OC)(H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	114.4810	0.000	1	114.4810	0.000	1	115.4939	8.294	10	115.1810	7.832	13	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:2:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:O-2: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]HO)(H)	C[5](C[5]C[5a]C[5]C)(C[5]C[6a]C[5]H)(OC)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5a]C[5]C)(C[5]C[6a]C[5]H)(OC)(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	114.9985	0.538	2	114.9985	0.290	2	115.4939	8.294	10	115.1810	7.832	13	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:2:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:O-2: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]HO)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(OH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<3>,1|O<1>,1|O<2>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(OH)(H){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(C[5]C[5]2H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	115.1260	0.894	2	115.1260	0.799	2	115.4939	8.294	10	115.1810	7.832	13	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:2:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:O-2: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]HO)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HN)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HN)(OH)(H){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	110.8040	0.000	1	110.8040	0.000	1	115.4939	8.294	10	115.1810	7.832	13	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:2:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:O-2: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]HO)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(OC)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(OC)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	115.9140	0.000	1	115.9140	0.000	1	115.4939	8.294	10	115.1810	7.832	13	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:2:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:O-2: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]HO)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(OH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	115.4825	0.380	2	115.4825	0.144	2	115.4939	8.294	10	115.1810	7.832	13	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:2:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:O-2: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]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(OC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]O[5]CH)(H){3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[5]C[5]2H){2|C<4>,3|C<3>,3|H<1>,3|O<2>}	122.5260	0.000	1	122.5260	0.000	1	115.4939	8.294	10	115.1810	7.832	13	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:2:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(OC)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(OC)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,5|H<1>}	120.1470	0.000	1	120.1470	0.000	1	120.1470	0.000	1	120.1470	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:2:2:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-2:C-2:	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]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CN)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CN)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<2>,2|C<3>,2|C<4>,3|H<1>}	115.7087	0.220	3	115.7087	0.048	3	115.8388	0.432	10	115.8388	0.432	10	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:2:2:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-2:C-2:	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]CS)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CN)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CS)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CN)2{1|C<2>,1|H<1>,1|S<4>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|S<4>,2|C<4>,2|H<1>,3|C<2>}	116.2140	0.000	1	116.2140	0.000	1	115.8388	0.432	10	115.8388	0.432	10	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:2:2:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-2:C-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CC)(CN)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]CH)(H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CC)(CN)2{2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,1|O<2>,2|C<2>,2|C<3>,2|H<1>}	115.8010	0.000	1	115.8155	1.081	4	115.8388	0.432	10	115.8388	0.432	10	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:2:2:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-2:C-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CC)(CN)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]CH)(H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CC)(CN)2{2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,2|C<2>,2|C<3>,3|H<1>}	115.8203	1.273	3	115.8155	1.081	4	115.8388	0.432	10	115.8388	0.432	10	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:2:2:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-2:C-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)2(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CN)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)2(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CN)2{1|C<2>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<3>,2|C<4>,2|H<1>,3|C<2>}	115.8930	0.587	2	115.8930	0.344	2	115.8388	0.432	10	115.8388	0.432	10	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C[5]-4:	C[5](C[6a]C[6a,6a]2)(C[5]C[5,5]CH)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[5]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]C[5]2H)	C[5](C[6a]C[6a,6a]2)(C[5]C[5,5]CH)(C[5]N[5]HH)(H){1|C<4>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[5]O)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]C[5]2H){1|C<4>,1|N<3>,5|H<1>,6|C<3>}	115.2420	0.000	1	115.2420	0.000	1	115.2420	0.000	1	115.2085	4.085	66	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C-4:N[5]-3: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]CH)(H)	C[5](C[5]C[6a]C[5]H)(CC[6a]ClH)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)(H){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(CC[6a]ClH)(N[5]C[5]H)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	115.2280	0.000	1	115.2280	0.000	1	115.2280	0.000	1	115.2085	4.085	66	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:B[5]-3:H-1:	C[6,6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6,6a]C[6a])(C[5]B[5]C[5]H)(C[5]C[5]CC)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(B[5]O[5]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6,6a]C[6a])(C[5]B[5]C[5]H)(C[5]C[5]CC)(H){1|C<4>,2|C<3>,2|O<2>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(B[5]O[5]2)(H){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[5]C[5]2H){1|B<3>,1|C<3>,2|O<2>,3|H<1>,5|C<4>}	113.0700	0.000	1	113.0700	0.000	1	113.0700	0.000	1	115.2085	4.085	66	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3: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]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CCO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CCO)(H){2|C<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<2>,2|C<3>,2|C<4>,3|H<1>}	116.8400	0.000	1	116.2305	0.743	2	115.6951	5.062	38	115.2085	4.085	66	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3: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]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CCO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CCO)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<4>,3|H<1>,4|C<3>}	115.6210	0.000	1	116.2305	0.743	2	115.6951	5.062	38	115.2085	4.085	66	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3: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]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[6a]O)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<4>,3|H<1>,4|C<3>}	115.9490	0.000	1	115.9490	0.000	1	115.6951	5.062	38	115.2085	4.085	66	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3: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]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CHO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CHO)(H){2|C<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<2>,2|C<3>,2|C<4>,3|H<1>}	117.8495	0.319	2	117.8495	0.102	2	115.6951	5.062	38	115.2085	4.085	66	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3: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)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CO)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CO)(CC[6a]O)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,3|C<3>,5|H<1>}	115.3260	0.000	1	115.3260	0.000	1	115.6951	5.062	38	115.2085	4.085	66	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3: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)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]O)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]O)(H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H){2|C<3>,3|C<4>,4|H<1>}	114.0065	0.149	2	114.0065	0.022	2	115.6951	5.062	38	115.2085	4.085	66	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3: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)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]O)(H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<3>,2|C<4>,5|H<1>}	116.4220	0.000	1	115.3665	2.228	2	115.6951	5.062	38	115.2085	4.085	66	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3: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)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]O)(H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<3>,2|C<4>,5|H<1>}	114.3110	0.000	1	115.3665	2.228	2	115.6951	5.062	38	115.2085	4.085	66	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3: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)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HN)(COO)(H)	C[6a](C[6a]C[6a]C)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HN)(COO)(H){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C)2(C[5]C[5]2H){2|C<3>,2|C<4>,5|H<1>}	119.3970	0.000	1	119.3970	0.000	1	115.6951	5.062	38	115.2085	4.085	66	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3: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)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HN)(COO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|N<3>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HN)(COO)(H){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<3>,2|C<4>,5|H<1>}	115.4510	2.331	2	114.9713	3.406	3	115.6951	5.062	38	115.2085	4.085	66	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3: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)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HN)(COO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|N<4>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HN)(COO)(H){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<3>,2|C<4>,5|H<1>}	114.0120	0.000	1	114.9713	3.406	3	115.6951	5.062	38	115.2085	4.085	66	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3: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]HN)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(CHO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HN)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(CHO)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	115.7395	0.230	2	115.7395	0.053	2	115.6951	5.062	38	115.2085	4.085	66	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3: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]HO)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(COO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HO)(H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(COO)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	117.0170	0.000	1	117.0170	0.000	1	115.6951	5.062	38	115.2085	4.085	66	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3: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]N[5]CC)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CCO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CC)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CCO)(H){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	117.2330	0.000	1	117.2330	0.000	1	115.6951	5.062	38	115.2085	4.085	66	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3: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]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CCO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H){3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CCO)(H){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	114.6550	0.000	1	115.6840	2.118	2	115.6951	5.062	38	115.2085	4.085	66	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3: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]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CCO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CCO)(H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	116.7130	0.000	1	115.6840	2.118	2	115.6951	5.062	38	115.2085	4.085	66	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3: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]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CC[6a]O)(H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	115.8090	0.901	2	115.8090	0.812	2	115.6951	5.062	38	115.2085	4.085	66	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3: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]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CN[5]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CN[5]O)(H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	115.4120	0.000	1	115.4120	0.000	1	115.6951	5.062	38	115.2085	4.085	66	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3: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]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CN[5a]O)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CN[5a]O)(H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	115.3067	0.115	3	115.3067	0.013	3	115.6951	5.062	38	115.2085	4.085	66	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3: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]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(COO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(COO)(H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	118.5530	0.000	1	118.5530	0.000	1	115.6951	5.062	38	115.2085	4.085	66	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3: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]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CC)(CCH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H){2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CC)(CCH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<2>,2|C<3>,2|C<4>,4|H<1>}	113.2290	0.000	1	113.6385	0.335	2	115.6951	5.062	38	115.2085	4.085	66	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3: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]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CC)(CCH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H){3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CC)(CCH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	114.0480	0.000	1	113.6385	0.335	2	115.6951	5.062	38	115.2085	4.085	66	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3: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]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[4]N[5]H)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[4]N[5]H)(CC[6a]O)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	112.5610	0.000	1	112.5610	0.000	1	115.6951	5.062	38	115.2085	4.085	66	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3: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]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CH)(CCO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CH)(CCO)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<4>,2|C<3>,5|H<1>}	112.8800	0.000	1	112.8800	0.000	1	115.6951	5.062	38	115.2085	4.085	66	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3: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]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(COO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H){1|Cl<1>,1|N<2>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(COO)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	108.3700	0.000	1	108.3700	0.000	1	115.6951	5.062	38	115.2085	4.085	66	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3: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]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(COO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H){1|S<4>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(COO)(H){1|S<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	122.1520	0.000	1	122.1520	0.000	1	115.6951	5.062	38	115.2085	4.085	66	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)2(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CCC)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)2(H){4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CCC)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<4>,3|C<3>,4|H<1>}	115.8040	0.000	1	115.8040	0.000	1	115.6951	5.062	38	115.2085	4.085	66	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)2(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)2(H){4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[6a]O)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<4>,3|C<3>,4|H<1>}	115.5290	0.000	1	115.5290	0.000	1	115.6951	5.062	38	115.2085	4.085	66	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)2(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)2(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[5a]O)(H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,4|C<3>,4|H<1>}	118.0500	0.000	1	118.0500	0.000	1	115.6951	5.062	38	115.2085	4.085	66	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)2(H)	C[5](C[5]C[6a]C[5]H)2(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)2(H){4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)2(CC[6a]O)(H){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<4>,3|C<3>,4|H<1>}	116.3490	1.399	2	116.3490	1.956	2	115.6951	5.062	38	115.2085	4.085	66	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:N-3:F-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]FN)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(NOO)(F)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]FN)(C[5]N[5]CH)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(NOO)(F){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|F<1>,2|C<3>,2|N<3>,3|H<1>}	113.3000	0.000	1	113.3000	0.000	1	113.3000	0.000	1	115.2085	4.085	66	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:N-3: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]HN)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(NOO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HN)(H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(NOO)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	114.4190	0.000	1	114.4190	0.000	1	114.7138	2.590	20	115.2085	4.085	66	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:N-3: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]HN)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(NOO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HN)(H){1|O<2>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(NOO)(H){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	115.6460	0.000	1	115.6460	0.000	1	114.7138	2.590	20	115.2085	4.085	66	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:N-3: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]HN)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(NOO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HN)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(NOO)(H){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	117.4850	0.000	1	117.4850	0.000	1	114.7138	2.590	20	115.2085	4.085	66	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:N-3: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]HN)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C[6]H)(NOO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HN)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C[6]H)(NOO)(H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	114.7450	0.000	1	114.7450	0.000	1	114.7138	2.590	20	115.2085	4.085	66	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:N-3: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]HN)(H)	C[5](C[5]C[6a]C[5]C)(C[5]C[6a]C[5]H)(NOO)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HN)(H){1|F<1>,1|H<1>,1|O<1>,4|C<3>}	C[5](C[5]C[6a]C[5]C)(C[5]C[6a]C[5]H)(NOO)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	114.3770	0.000	1	114.3770	0.000	1	114.7138	2.590	20	115.2085	4.085	66	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:N-3: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]HN)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(NCH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HN)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(NCH)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	113.0190	0.000	1	113.0190	0.000	1	114.7138	2.590	20	115.2085	4.085	66	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:N-3: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]C[5]HP)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(NOO)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]HP)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(NOO)(H){1|H<1>,1|P<4>,3|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|N<3>,1|O<2>,1|P<4>,2|C<3>,3|H<1>}	116.6650	0.000	1	116.6650	0.000	1	114.7138	2.590	20	115.2085	4.085	66	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:N-3: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]N[5]CC)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[4]N[5]H)(NOO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CC)(H){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[4]N[5]H)(NOO)(H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]C[5]2H){2|C<3>,2|C<4>,2|N<3>,3|H<1>}	111.5220	0.000	1	111.5220	0.000	1	114.7138	2.590	20	115.2085	4.085	66	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:N-3: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]N[5]CC)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[4]N[5]H)(NOO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CC)(H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[4]N[5]H)(NOO)(H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<3>,2|C<4>,2|N<3>,3|H<1>}	113.9260	0.408	3	113.9260	0.167	3	114.7138	2.590	20	115.2085	4.085	66	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:N-3: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]N[5]CH)(H)	C[5](C[5]C[6a]2N[5])(C[5]C[6a]C[5]H)(NOO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H){3|H<1>,4|C<3>}	C[5](C[5]C[6a]2N[5])(C[5]C[6a]C[5]H)(NOO)(H){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	116.8605	0.110	2	116.8605	0.012	2	114.7138	2.590	20	115.2085	4.085	66	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:N-3: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]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]N[5]H)(NOO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]N[5]H)(NOO)(H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	113.1660	0.000	1	113.1660	0.000	1	114.7138	2.590	20	115.2085	4.085	66	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:N-3: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]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(NOO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(NOO)(H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	113.2780	0.000	1	114.8034	2.186	5	114.7138	2.590	20	115.2085	4.085	66	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:N-3: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]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(NOO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(NOO)(H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	114.9135	2.320	2	114.8034	2.186	5	114.7138	2.590	20	115.2085	4.085	66	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:N-3: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]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(NOO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H){3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(NOO)(H){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	115.4560	0.396	2	114.8034	2.186	5	114.7138	2.590	20	115.2085	4.085	66	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:N-3: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]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CC)(NOO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]N[5]CH)(H){1|Br<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CC)(NOO)(H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	113.7160	0.000	1	113.7160	0.000	1	114.7138	2.590	20	115.2085	4.085	66	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-4:C-3: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]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]HH)(COO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]HH)(COO)(H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<4>,2|C<3>,2|C<4>,4|H<1>}	115.0230	0.000	1	115.0230	0.000	1	115.0230	0.000	1	115.2085	4.085	66	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:S[5]-4:C-3:F-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]S[5]CF)(H)	C[5](C[5]C[6a]C[5]H)(S[5]C[5]OO)(COO)(F)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]S[5]CF)(H){2|C<3>,2|O<1>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(S[5]C[5]OO)(COO)(F){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|Cl<1>,1|C<4>,1|F<1>,1|S<4>,2|C<3>,2|H<1>}	114.1860	0.000	1	114.1860	0.000	1	114.1860	0.000	1	115.2085	4.085	66	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:S[5]-4:C-3: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]S[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(S[5]C[5]OO)(COO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]S[5]CH)(H){2|C<3>,2|O<1>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(S[5]C[5]OO)(COO)(H){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|S<4>,2|C<3>,5|H<1>}	113.5120	0.317	2	113.5120	0.100	2	113.5120	0.100	2	115.2085	4.085	66	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:3:1:	3:4:2:	C[6a]-3:C[5]-4:C[5]-4:F-1:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:N[6a]-2:	C[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(C[5]N[5]CH)(F)	C[5](C[5]C[6a]C[5]F)(C[5]C[6a]N[5]H)(COO)(H)	C[6a](C[6a]C[6a]H)(C[5]C[5]2F)(N[6a]C[6a])	C[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(C[5]N[5]CH)(F){3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]F)(C[5]C[6a]N[5]H)(COO)(H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[5]C[5]2F)(N[6a]C[6a]){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	116.2730	0.000	1	116.2730	0.000	1	116.2730	0.000	1	116.2730	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:3:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-4:H-1:	C[5]-4:C[5]-4:C-3: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]HH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CC[6a]O)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]HH)(H){4|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CC[6a]O)(H){3|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,5|H<1>}	113.2970	0.000	1	113.2970	0.000	1	113.2970	0.000	1	113.2970	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:3:2:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:C-2:	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]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CNO)(CN)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CNO)(CN){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,2|C<3>,3|C<4>,3|H<1>}	114.2305	0.368	2	114.2305	0.136	2	115.4859	4.857	7	115.4859	4.857	7	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:3:2:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:C-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CC)(CNO)(CN)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]CH)(H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CC)(CNO)(CN){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	115.1420	0.000	1	115.1420	0.000	1	115.4859	4.857	7	115.4859	4.857	7	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:3:2:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:C-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CC)(COO)(CN)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]CH)(H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CC)(COO)(CN){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	113.3170	0.000	1	113.8445	0.557	2	115.4859	4.857	7	115.4859	4.857	7	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:3:2:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:C-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CC)(COO)(CN)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]CH)(H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CC)(COO)(CN){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,1|C<4>,2|H<1>,2|N<3>,3|C<3>}	114.3720	0.000	1	113.8445	0.557	2	115.4859	4.857	7	115.4859	4.857	7	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:3:2:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:C-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)2(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[6a]O)(CN)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)2(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[6a]O)(CN){2|C<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<3>,2|C<4>,2|H<1>,3|C<2>}	118.5545	0.979	2	118.5545	0.959	2	115.4859	4.857	7	115.4859	4.857	7	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:3:3:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:C-3:	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]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<4>,3|H<1>,4|C<3>}	116.3860	0.666	2	116.3860	0.444	2	115.8101	1.839	7	115.6363	1.757	9	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:3:3:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:C-3:	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]HN)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CCO)(COO)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HN)(H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CCO)(COO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	114.2100	0.000	1	115.2255	2.062	2	115.8101	1.839	7	115.6363	1.757	9	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:3:3:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:C-3:	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]HN)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CCO)(COO)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HN)(H){1|O<2>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CCO)(COO){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	116.2410	0.000	1	115.2255	2.062	2	115.8101	1.839	7	115.6363	1.757	9	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:3:3:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]CC)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(COO)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]CC)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(COO)2{1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	114.0500	0.000	1	114.0500	0.000	1	115.8101	1.839	7	115.6363	1.757	9	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:3:3:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(COO)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]CH)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(COO)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	116.6990	1.583	2	116.6990	2.504	2	115.8101	1.839	7	115.6363	1.757	9	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:3:3:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:N-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(COO)(NCH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(C[5]N[5]CH)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(COO)(NCH){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	115.0280	1.438	2	115.0280	2.069	2	115.0280	2.069	2	115.6363	1.757	9	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:4:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CCCH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]CH)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CCCH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>,6|C<4>}	114.7090	0.000	1	115.0140	0.186	2	115.0140	0.186	2	116.0362	2.034	10	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:4:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CCCH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]CH)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CCCH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,6|C<4>}	115.3190	0.000	1	115.0140	0.186	2	115.0140	0.186	2	116.0362	2.034	10	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:4:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-4: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]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CHHO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CHHO)(H){1|C<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,2|C<3>,3|C<4>,3|H<1>}	118.0915	0.172	2	118.0915	0.030	2	116.2918	2.216	8	116.0362	2.034	10	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:4:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-4: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)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|O<2>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CH3)(H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,3|C<4>,5|H<1>}	114.5985	0.862	2	114.5985	0.743	2	116.2918	2.216	8	116.0362	2.034	10	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:4:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-4: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)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CHHN)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){2|C<3>,6|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CHHN)(H){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,3|C<4>,5|H<1>}	116.6370	0.000	1	116.6370	0.000	1	116.2918	2.216	8	116.0362	2.034	10	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:4:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-4: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]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CHHO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CHHO)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<4>,2|C<3>,2|C<4>,4|H<1>}	114.9350	0.000	1	114.9350	0.000	1	116.2918	2.216	8	116.0362	2.034	10	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:4:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-4: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]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(CClHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H){1|O<2>,1|S<4>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(CClHH)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	117.0430	0.000	1	117.0430	0.000	1	116.2918	2.216	8	116.0362	2.034	10	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:4:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-4: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]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(H){1|S<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CC[6a]CH)(H){1|S<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	116.3390	0.000	1	116.3390	0.000	1	116.2918	2.216	8	116.0362	2.034	10	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:4:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-4:H-1:	C[5]-4:C[5]-4:C-4: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]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CHHO)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]HH)(H){4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CHHO)(H){3|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,5|H<1>}	117.6110	0.000	1	117.6110	0.000	1	117.6110	0.000	1	117.3840	0.103	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:4:1:	4:3:3:	C[6a]-3:C[5]-4:N[5]-4:H-1:	C[5]-4:C[5]-4:S-4: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]O[5]CH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HS)(SC[6a]OO)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]O[5]CH)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HS)(SC[6a]OO)(H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,1|S<4>,2|C<4>,4|H<1>}	117.1570	0.000	1	117.1570	0.000	1	117.1570	0.000	1	117.3840	0.103	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:4:2:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:S-4:C-2:	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]CS)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(SC[6a]OO)(CN)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CS)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(SC[6a]OO)(CN){2|C<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|S<4>,2|C<4>,2|H<1>,3|C<2>}	121.9830	0.000	1	121.9830	0.000	1	121.9830	0.000	1	121.9830	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:4:3:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:N-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(CHHO)(NOO)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(C[5]N[5]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(CHHO)(NOO){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	116.2520	0.000	1	116.2520	0.000	1	116.2520	0.000	1	116.2520	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:4:4:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6,6a]C[6a])(C[5]B[5]C[5]H)(C[5]C[5]CC)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CHHO)(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6,6a]C[6a])(C[5]B[5]C[5]H)(C[5]C[5]CC)(H){1|C<4>,2|C<3>,2|O<2>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CHHO)(CH3){1|B<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[5]C[5]2H){1|B<3>,1|C<3>,2|O<2>,3|H<1>,5|C<4>}	114.4400	0.000	1	114.4400	0.000	1	113.5793	0.684	3	114.3462	2.809	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:4:4:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CCHH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]CH)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CCHH)(CH3){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>,6|C<4>}	112.7900	0.000	1	113.1490	0.258	2	113.5793	0.684	3	114.3462	2.809	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:4:4:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CCHH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[6a]C[6,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]CH)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CCHH)(CH3){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,6|C<4>}	113.5080	0.000	1	113.1490	0.258	2	113.5793	0.684	3	114.3462	2.809	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:1:	4:4:4:4:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:C-4:	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)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CH3)2{2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){2|C<3>,3|H<1>,4|C<4>}	116.6470	0.000	1	116.6470	0.000	1	116.6470	0.000	1	114.3462	2.809	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:2:	4:2:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:O-2:	C[5]-4:O[5]-2: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)(OH)	C[5](C[5]C[6a]C[5]O)(O[5]C[5])(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]O[5]HH)(OH){2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]O)(O[5]C[5])(H)2{1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	115.0380	0.000	1	115.0380	0.000	1	115.0380	0.000	1	115.0380	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:2:	4:2:1:1:	4:3:3:	C[6a]-3:C[5]-4:C[6]-4:O[5]-2:	C[5]-4:O[5]-2: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)(C[6]C[6]2H)(O[5]C[5])	C[5](C[5]C[6a]C[6]O[5])(O[5]C[5])(H)2	C[6a](C[5]C[5]C[6]O[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[6]C[6]2H)(O[5]C[5]){3|C<3>,3|C<4>,5|H<1>}	C[5](C[5]C[6a]C[6]O[5])(O[5]C[5])(H)2{1|H<1>,3|C<3>,3|C<4>}	C[6a](C[5]C[5]C[6]O[5])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,5|H<1>}	110.7060	0.000	1	110.7060	0.000	1	110.7060	0.000	1	110.7060	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:2:	4:3:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:O-2:	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)(C[5]C[5]CH)(C[5]N[5]HH)(OH)	C[5](C[5]C[6a]C[5]O)(N[5]C[5]S)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(OH){1|S<4>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]O)(N[5]C[5]S)(H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	113.8470	0.000	1	113.8470	0.000	1	113.8470	0.000	1	113.8470	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:2:	4:3:4:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:O-2:	C[5]-4:C[5]-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]CH)(C[5]N[5]CH)(OH)	C[5](C[5]C[6a]C[5]O)(C[5]N[5]O)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(OH){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]O)(C[5]N[5]O)(CCHH)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	114.0500	0.000	1	114.0500	0.000	1	114.0500	0.000	1	113.5345	0.531	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:2:	4:3:4:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:O-2:	C[5]-4:N[5]-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]CH)(C[5]N[5]CH)(OH)	C[5](C[5]C[6a]C[5]O)(N[5]C[5]S)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(OH){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]O)(N[5]C[5]S)(CC[6a]HH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	113.0190	0.000	1	113.0190	0.000	1	113.0190	0.000	1	113.5345	0.531	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:2:	4:4:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:O-2:	C[5]-4:C[5]-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]CC)(C[5]C[5]HH)(OSi)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HH)(OSi){3|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(H)2{2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){2|C<4>,3|C<3>,4|H<1>}	115.4910	0.000	1	115.4910	0.000	1	114.1218	0.722	6	114.1218	0.722	6	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:2:	4:4:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:O-2:	C[5]-4:C[5]-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)(OH)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(OH){4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(H)2{2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){2|C<3>,2|C<4>,5|H<1>}	114.0040	0.578	2	114.0040	0.335	2	114.1218	0.722	6	114.1218	0.722	6	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:2:	4:4:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:O-2:	C[5]-4:C[5]-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)(OH)	C[5](C[5]C[6a]C[5]O)(C[5]C[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(OH){2|C<3>,6|H<1>}	C[5](C[5]C[6a]C[5]O)(C[5]C[5]HH)(H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){2|C<3>,2|C<4>,5|H<1>}	114.1245	0.274	2	114.1245	0.075	2	114.1218	0.722	6	114.1218	0.722	6	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:2:	4:4:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:O-2:	C[5]-4:C[5]-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]HN)(OH)	C[5](C[5]C[6a]C[5]O)(C[5]C[5]CC)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HN)(OH){3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]O)(C[5]C[5]CC)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	112.9830	0.000	1	112.9830	0.000	1	114.1218	0.722	6	114.1218	0.722	6	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:2:	4:4:1:1:	3:4:2:	C[6a]-3:C[5]-4:C[5]-4:O-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:N[6a]-2:	C[5](C[6a]C[6a]N[6a])(C[5]C[5,5]HH)2(OH)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]O)(H)2	C[6a](C[6a]C[6a]H)(C[5]C[5]2O)(N[6a]C[6a])	C[5](C[6a]C[6a]N[6a])(C[5]C[5,5]HH)2(OH){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]O)(H)2{1|C<3>,1|N<2>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]H)(C[5]C[5]2O)(N[6a]C[6a]){1|C<3>,2|C<4>,6|H<1>}	113.0790	1.200	12	113.0790	1.440	12	113.0790	1.440	12	113.0790	1.440	12	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:2:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:C-4:O[5]-2:	C[5]-4:C[5]-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)(CC[6a]BrH)(O[5]C[5])	C[5](C[5]C[6a]O[5]C)(C[5]C[5]CC)(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)(CC[6a]BrH)(O[5]C[5]){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[6a]O[5]C)(C[5]C[5]CC)(H)2{2|C<3>,2|H<1>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	111.3120	0.423	2	111.3120	0.179	2	112.4854	4.565	5	112.4854	4.565	5	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:2:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:C-4:O[5]-2:	C[5]-4:C[5]-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)(CC[6a]BrH)(O[5]C[5])	C[5](C[5]C[6a]O[5]C)(C[5]C[5]CH)(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)(CC[6a]BrH)(O[5]C[5]){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]O[5]C)(C[5]C[5]CH)(H)2{2|C<3>,2|H<1>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	113.1620	0.000	1	113.1620	0.000	1	112.4854	4.565	5	112.4854	4.565	5	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:2:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:C-4:O[5]-2:	C[5]-4:C[5]-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)(CN[5a]HH)(O[5]C[5])	C[5](C[5]C[6a]O[5]C)(C[5]C[5]CH)(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[5](C[5]C[6a]O[5]C)(C[5]C[5]CH)(H)2{2|C<3>,2|H<1>}	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>}	110.7250	0.000	1	110.7250	0.000	1	112.4854	4.565	5	112.4854	4.565	5	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:2:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:C-4:O[5]-2:	C[5]-4:C[5]-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)(CN[5a]HH)(O[5]C[5])	C[5](C[5]C[6a]O[5]C)(C[5]C[5]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)(CN[5a]HH)(O[5]C[5]){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(H)2{1|O<1>,2|C<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>}	115.9160	0.000	1	115.9160	0.000	1	112.4854	4.565	5	112.4854	4.565	5	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:2:	4:4:2:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:O-2:	C[5]-4:C[5]-4:O-2: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)(OH)	C[5](C[5]C[6a]C[5]O)(C[5]O[5]HH)(OH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]O[5]HH)(OH){2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]O)(C[5]O[5]HH)(OH)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	111.4890	0.000	1	111.4890	0.000	1	111.4890	0.000	1	111.4890	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:2:	4:4:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:O-2:	C[5]-4:C[5]-4:C-3: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)(OH)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(OH){4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(CC[6a]O)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){2|C<3>,2|C<4>,5|H<1>}	112.5590	0.000	1	112.5590	0.000	1	113.1928	0.424	5	113.7665	2.314	6	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:2:	4:4:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:O-2:	C[5]-4:C[5]-4:C-3: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)(OH)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(COO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(OH){4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(COO)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){2|C<3>,2|C<4>,5|H<1>}	113.9990	0.000	1	113.9990	0.000	1	113.1928	0.424	5	113.7665	2.314	6	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:2:	4:4:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:O-2:	C[5]-4:C[5]-4:C-3: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)(OH)	C[5](C[5]C[6a]C[5]O)(C[5]C[5]HH)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(OH){2|C<3>,6|H<1>}	C[5](C[5]C[6a]C[5]O)(C[5]C[5]HH)(CC[6a]O)(H){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){2|C<3>,2|C<4>,5|H<1>}	113.0235	0.749	2	113.0235	0.561	2	113.1928	0.424	5	113.7665	2.314	6	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:2:	4:4:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:O-2:	C[5]-4:C[5]-4:C-3: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]N[5]HH)(OH)	C[5](C[5]C[6a]C[5]O)(C[5]N[5]HH)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(OH){1|S<4>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]O)(C[5]N[5]HH)(CC[6a]C)(H){1|S<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	113.3590	0.000	1	113.3590	0.000	1	113.1928	0.424	5	113.7665	2.314	6	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:2:	4:4:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:O-2:	C[5]-4:C[5]-4:N-3: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]HN)(OH)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(NOO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HN)(OH){3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(NOO)(H){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	116.6350	0.000	1	116.6350	0.000	1	116.6350	0.000	1	113.7665	2.314	6	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:2:	4:4:3:1:	3:4:2:	C[6a]-3:C[5]-4:C[5]-4:O-2:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:N[6a]-2:	C[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)2(OH)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(CHO)(H)	C[6a](C[6a]C[6a]H)(C[5]C[5]2O)(N[6a]C[6a])	C[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)2(OH){1|N<3>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(CHO)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[5]C[5]2O)(N[6a]C[6a]){2|C<3>,3|C<4>,4|H<1>}	113.1730	0.000	1	113.1730	0.000	1	111.9545	2.969	2	111.9545	2.969	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:2:	4:4:3:1:	3:4:2:	C[6a]-3:C[5]-4:C[5]-4:O-2:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:N[6a]-2:	C[5](C[6a]C[6a]N[6a])(C[5]C[5]C[6]H)(C[5]C[5]CH)(OH)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(CHO)(H)	C[6a](C[6a]C[6a]H)(C[5]C[5]2O)(N[6a]C[6a])	C[5](C[6a]C[6a]N[6a])(C[5]C[5]C[6]H)(C[5]C[5]CH)(OH){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(CHO)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[5]C[5]2O)(N[6a]C[6a]){2|C<3>,3|C<4>,4|H<1>}	110.7360	0.000	1	110.7360	0.000	1	111.9545	2.969	2	111.9545	2.969	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:2:	4:4:3:3:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:O-2:	C[5]-4:C[5]-4:C-3:C-3:	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)(OSi)	C[5](C[5]C[6a]C[5]O)(C[5]C[5]HH)(COO)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HH)(OSi){3|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]O)(C[5]C[5]HH)(COO)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){2|C<4>,3|C<3>,4|H<1>}	115.6400	0.000	1	115.6400	0.000	1	115.6400	0.000	1	115.6400	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:2:	4:4:4:1:	3:4:2:	C[6a]-3:C[5]-4:C[5]-4:O-2:	C[5]-4:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:N[6a]-2:	C[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)2(OH)	C[5](C[5]C[6a]C[5]O)(C[5]C[5]HN)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[5]C[5]2O)(N[6a]C[6a])	C[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)2(OH){1|N<3>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]O)(C[5]C[5]HN)(CCHH)(H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[5]C[5]2O)(N[6a]C[6a]){2|C<3>,3|C<4>,4|H<1>}	115.3720	0.000	1	115.3720	0.000	1	115.3720	0.000	1	115.3540	0.001	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:2:	4:4:4:1:	3:4:2:	C[6a]-3:C[5]-4:C[5]-4:O-2:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[6a]-3:C[5]-4:N[6a]-2:	C[5](C[6a]C[6a]N[6a])(C[5]C[5]C[6]H)(C[5]C[5]CH)(OH)	C[5](C[5]C[6a]C[5]O)(C[5]C[5]HN)(C[6]C[6]2H)(H)	C[6a](C[6a]C[6a]H)(C[5]C[5]2O)(N[6a]C[6a])	C[5](C[6a]C[6a]N[6a])(C[5]C[5]C[6]H)(C[5]C[5]CH)(OH){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]O)(C[5]C[5]HN)(C[6]C[6]2H)(H){1|N<2>,2|C<4>,3|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)(C[5]C[5]2O)(N[6a]C[6a]){2|C<3>,3|C<4>,4|H<1>}	115.3360	0.000	1	115.3360	0.000	1	115.3360	0.000	1	115.3540	0.001	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:3:	4:3:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-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]CC)(C[5]C[5]HH)(CCC)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]C)(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]CC)(C[5]C[5]HH)(CCC){2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]C)(C[5]C[5]C)(H)2{2|C<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){2|C<2>,3|C<3>,4|H<1>}	107.5300	0.000	1	107.5300	0.000	1	112.0383	15.592	3	112.0298	10.395	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:3:	4:3:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-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]HH)2(COO)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]C)(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)2(COO){3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]C)(C[5]C[5]C)(H)2{2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|Cl<1>,3|C<3>,5|H<1>}	114.8830	0.000	1	114.8830	0.000	1	112.0383	15.592	3	112.0298	10.395	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:3:	4:3:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-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]HH)2(COO)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]H)(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)2(COO){3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]C)(C[5]C[5]H)(H)2{2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|Cl<1>,3|C<3>,5|H<1>}	113.7020	0.000	1	113.7020	0.000	1	112.0383	15.592	3	112.0298	10.395	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:3:	4:3:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:C-3:	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)(C[5]C[5]CC)(C[5]N[5]HH)(CCH)	C[5](C[5]C[6a]C[5]C)(N[5]C[5]S)(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]CC)(C[5]N[5]HH)(CCH){1|S<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]C)(N[5]C[5]S)(H)2{1|C<2>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<2>,1|C<4>,1|N<3>,2|C<3>,4|H<1>}	112.0040	0.000	1	112.0040	0.000	1	112.0040	0.000	1	112.0298	10.395	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:3:	4:3:2:2:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:C-2:C-2:	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)(CCC)	C[5](C[5]C[6a]C[5]C)(C[5]C[6a]C[5])(CN)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HH)(CCC){2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]C)(C[5]C[6a]C[5])(CN)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){2|C<2>,3|C<3>,4|H<1>}	111.9380	0.000	1	111.9380	0.000	1	111.9380	0.000	1	111.9380	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	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[5]-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[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(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[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|H<1>}	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>}	113.3400	0.000	1	113.3400	0.000	1	113.3400	0.000	1	113.3411	1.693	11	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:3:	4:4:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:C-3:	C[3,5]-4:C[5]-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[3,5]HH)(C[5]C[5]HH)(COO)	C[5](C[3,5]C[3]2C[5])(C[5]C[6a]C[5]C)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]C[5]2C)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[3,5]HH)(C[5]C[5]HH)(COO){2|C<4>,2|H<1>,4|C<3>}	C[5](C[3,5]C[3]2C[5])(C[5]C[6a]C[5]C)(H)2{3|C<3>,7|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]C[5]2C){2|C<4>,3|C<3>,6|H<1>}	112.5520	0.000	1	112.5520	0.000	1	112.5520	0.000	1	113.3411	1.693	11	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:3:	4:4:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[3,5]HH)(C[5]C[5]HH)(COO)	C[5](C[5]C[6a]C[5]C)(C[5]C[3,5]CH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]C[5]2C)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[3,5]HH)(C[5]C[5]HH)(COO){2|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]C)(C[5]C[3,5]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]C[5]2C){2|C<4>,3|C<3>,6|H<1>}	113.7160	0.000	1	113.7160	0.000	1	113.7160	0.000	1	113.3411	1.693	11	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:3:	4:4:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-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)2(CNO)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]C[6]H)(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)2(CNO){3|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]C)(C[5]C[5]C[6]H)(H)2{4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<3>,2|C<4>,6|H<1>}	113.8310	0.000	1	113.8310	0.000	1	113.3930	2.306	8	113.3411	1.693	11	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:3:	4:4:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-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)2(CNO)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(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)2(CNO){2|C<3>,6|H<1>}	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<3>,2|C<4>,6|H<1>}	111.8850	2.799	2	112.6323	5.592	3	113.3930	2.306	8	113.3411	1.693	11	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:3:	4:4:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-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)2(CNO)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(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)2(CNO){3|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<3>,2|C<4>,6|H<1>}	114.1270	0.000	1	112.6323	5.592	3	113.3930	2.306	8	113.3411	1.693	11	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:3:	4:4:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-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)2(COO)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(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)2(COO){2|C<3>,6|H<1>}	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<3>,2|C<4>,6|H<1>}	113.8540	0.852	4	113.8540	0.727	4	113.3930	2.306	8	113.3411	1.693	11	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:3:	4:4:1:1:	4:3:3:	C[6a]-3:C[5]-4:C-4:N[5]-3:	C[5]-4:C[5]-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)(CC[6a]BrH)(N[5]C[5]S)	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(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)(CC[6a]BrH)(N[5]C[5]S){2|C<3>,6|H<1>}	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(H)2{1|S<4>,2|C<3>,2|H<1>}	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>}	113.3440	0.000	1	113.3440	0.000	1	113.3440	0.000	1	113.3440	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:3:	4:4:3:2:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-4:C-3:C-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]HH)(CCH)	C[5](C[5]C[6a]C[5]C)(C[5]C[6a]N[5]H)(COO)(CN)	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]N[5]HH)(CCH){1|S<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]C)(C[5]C[6a]N[5]H)(COO)(CN){1|S<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<2>,1|C<4>,1|N<3>,2|C<3>,4|H<1>}	114.9050	0.000	1	114.9050	0.000	1	114.9050	0.000	1	114.9050	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:3:	4:4:4:4:	4:3:3:	C[6a]-3:C[5]-4:C[6]-4:N[5]-3:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[6]C[6]2H)(N[5]C[5]C)	C[5](C[5]C[6a]C[6]N[5])(C[5]C[5]HH)(CH3)2	C[6a](C[5]C[5]C[6]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[6]C[6]2H)(N[5]C[5]C){2|C<4>,4|C<3>,6|H<1>}	C[5](C[5]C[6a]C[6]N[5])(C[5]C[5]HH)(CH3)2{1|H<1>,3|C<4>,4|C<3>}	C[6a](C[5]C[5]C[6]N[5])(C[6a]C[6a]H)2{3|C<3>,3|H<1>,5|C<4>}	108.4140	0.000	1	108.4140	0.000	1	108.4140	0.000	1	108.4140	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:4:	4:2:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:C-4:	C[5]-4:O[5]-2: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[5](C[5]C[6a]C[5]C)(O[5]C[5])(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]HN)(C[5]O[5]HH)(CH3){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]C)(O[5]C[5])(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<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>}	111.7200	0.000	1	111.7200	0.000	1	113.1663	4.035	3	113.1663	4.035	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:4:	4:2:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:C-4:	C[5]-4:O[5]-2: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[5](C[5]C[6a]C[5]C)(O[5]C[5])(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]HO)(C[5]O[5]HH)(CH3){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]C)(O[5]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){2|C<3>,2|O<2>,5|H<1>}	113.8895	2.221	2	113.8895	4.933	2	113.1663	4.035	3	113.1663	4.035	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:4:	4:2:2:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:C-4:	C[5]-4:O[5]-2:S-2: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[5](C[5]C[6a]C[5]C)(O[5]C[5])(SC[6a])(H)	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[5](C[5]C[6a]C[5]C)(O[5]C[5])(SC[6a])(H){1|O<1>,2|C<3>,2|H<1>}	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>}	112.2000	0.000	1	112.2000	0.000	1	112.2000	0.000	1	112.2000	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:4:	4:3:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:C-4:	C[5]-4:C[5]-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]HH)(C[5]O[5]HS)(CCHH)	C[5](C[5]C[6a]C[5]C)(C[5]O[5]O)(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[5](C[5]C[6a]C[5]C)(C[5]O[5]O)(H)2{1|H<1>,1|S<2>,2|C<3>}	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>}	112.6220	0.000	1	112.6220	0.000	1	112.6220	0.000	1	114.0437	2.012	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:4:	4:3:1:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:P-4:	C[5]-4:C[5]-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]CH)(C[5]C[5]HH)(PO3)	C[5](C[5]C[6a]C[5]P)(C[5]C[5]C)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2P)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(PO3){3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]P)(C[5]C[5]C)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2P){1|C<4>,3|C<3>,5|H<1>}	114.7545	0.996	2	114.7545	0.993	2	114.7545	0.993	2	114.0437	2.012	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:4:	4:3:2:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:C-4:	C[5]-4:C[5]-3:O-2: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[5](C[5]C[6a]C[5]C)(C[5]O[5]O)(OH)(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]HO)(C[5]O[5]HH)(CH3){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]C)(C[5]O[5]O)(OH)(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){2|C<3>,2|O<2>,5|H<1>}	112.8975	1.354	2	112.8975	1.834	2	112.8975	1.834	2	112.8975	1.834	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:4:	4:3:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:C-4:	C[5]-4:C[5]-3:N-3: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[5](C[5]C[6a]C[5]C)(C[5]O[5]O)(NC[6a]H)(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]HN)(C[5]O[5]HH)(CH3){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]C)(C[5]O[5]O)(NC[6a]H)(H){2|C<3>,2|H<1>}	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>}	112.5890	0.000	1	112.5890	0.000	1	112.5890	0.000	1	114.1835	5.085	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:4:	4:3:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-3: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]N[5]CH)(CF3)	C[5](C[5]C[6a]C[5]C)(N[5]C[5]H)(COO)(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]HN)(C[5]N[5]CH)(CF3){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]C)(N[5]C[5]H)(COO)(H){1|N<3>,2|H<1>,3|C<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>}	115.7780	0.000	1	115.7780	0.000	1	115.7780	0.000	1	114.1835	5.085	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:4:	4:3:4:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:P-4:	C[5]-4:C[5]-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]CH)(C[5]C[5]HH)(PO3)	C[5](C[5]C[6a]C[5]P)(C[5]C[5]H)(CH3)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2P)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(PO3){3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]P)(C[5]C[5]H)(CH3)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2P){1|C<4>,3|C<3>,5|H<1>}	115.3005	0.503	2	115.3005	0.253	2	115.3005	0.253	2	115.3005	0.253	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	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[5]-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]CC)(C[5]C[5]HH)(CH3)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HO)(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]CC)(C[5]C[5]HH)(CH3){2|C<3>,2|O<2>,4|H<1>}	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HO)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<3>,4|C<4>,4|H<1>}	114.8230	0.000	1	114.8230	0.000	1	114.0700	1.134	2	114.0700	1.134	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	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[5]-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[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(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[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<3>,3|C<4>,5|H<1>}	113.3170	0.000	1	113.3170	0.000	1	114.0700	1.134	2	114.0700	1.134	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:4:	4:4:1:1:	3:4:3:	C[6a]-3:C[3,5]-4:C[5]-4:C-4:	C[5]-4:C[5]-4: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[5](C[5]C[3,5]C[6a]C)(C[5]C[3,5]HH)(H)2	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[5](C[5]C[3,5]C[6a]C)(C[5]C[3,5]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	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>}	112.7120	0.000	1	112.7120	0.000	1	112.7120	0.000	1	112.7120	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:4:	4:4:3:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:C-4:	C[5]-4:C[5]-4:N-3: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]N[5]CH)(CF3)	C[5](C[5]C[6a]C[5]C)(C[5]C[6a]N[5]H)(NOO)(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]HN)(C[5]N[5]CH)(CF3){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]C)(C[5]C[6a]N[5]H)(NOO)(H){2|H<1>,5|C<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>}	114.6110	0.000	1	114.6110	0.000	1	114.6110	0.000	1	114.6110	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:4:	4:4:4:1:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:C-4:	C[5]-4:C[5]-4:C-4: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[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(CH3)(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]CH)(C[5]C[5]HH)(CCHH){2|C<3>,6|H<1>}	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(CH3)(H){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<3>,3|C<4>,5|H<1>}	107.1690	0.000	1	107.1690	0.000	1	107.1690	0.000	1	107.1690	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	3:4:4:4:	4:4:4:4:	3:3:4:	C[6a]-3:C[5]-4:C[5]-4:C-4:	C[5]-4:C[5]-4:C-4:C-4:	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[5](C[5]C[6a]C[5]C)(C[5]C[5]HO)(CH3)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]CC)(C[5]C[5]HH)(CH3){2|C<3>,2|O<2>,4|H<1>}	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HO)(CH3)2{1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<3>,4|C<4>,4|H<1>}	110.8800	0.000	1	110.8800	0.000	1	110.8800	0.000	1	110.8800	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:2:3:1:	4:2:3:1:	4:3:3:	C[5]-4:O[5]-2:C[6a]-3:H-1:	C[5]-4:O[5]-2:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]O[5]H)(O[5]C[5,5,6])(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]O[5]H)(O[5]C[5,5,6])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5]H)(O[5]C[5,5,6])(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]O[5]H)(O[5]C[5,5,6])(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	114.6580	0.000	1	114.6580	0.000	1	114.6580	0.000	1	114.6580	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	3:4:1:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,6a]-3:C[5]-4: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])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(H)2	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]HH)(C[6a]C[6a]2)(O[5]C[5,6a])(H){1|N<2>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(H)2{1|N<2>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	114.1200	0.000	1	114.1200	0.000	1	114.1345	0.000	2	114.2368	0.014	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	3:4:1:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,6a]-3:C[5]-4: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])(H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]O[5]H)(H)2	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]HH)(C[6a]C[6a]2)(O[5]C[5,6a])(H){2|H<1>,4|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]O[5]H)(H)2{5|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	114.1490	0.000	1	114.1490	0.000	1	114.1345	0.000	2	114.2368	0.014	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	3:4:1:1:	4:3:3:	C[5]-4:C[6a]-3:S[5]-2:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(S[5]C[5,6])(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]S[5]H)(H)2	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(S[5]C[5,6])(H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]S[5]H)(H)2{1|C<4>,1|H<1>,1|S<4>,3|C<3>}	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	114.3390	0.003	2	114.3390	0.000	2	114.3390	0.000	2	114.2368	0.014	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	3:4:3:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-3:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]O[5]H)(COO)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5,6])(H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]O[5]H)(COO)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	118.7720	0.000	1	118.7720	0.000	1	118.7720	0.000	1	116.2361	3.496	18	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	3:4:3:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,6])(H){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	112.1350	0.000	2	112.1350	0.000	2	112.1350	0.000	2	116.2361	3.496	18	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	3:4:3:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	C[5](C[5,6a]C[5,6a]2)(C[5]C[6a]O[5]H)(CNO)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)(O[5]C[5,6a])(H){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]2)(C[5]C[6a]O[5]H)(CNO)(H){5|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	115.1780	0.000	1	115.1780	0.000	1	116.6101	1.813	7	116.2361	3.496	18	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	3:4:3:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(COO)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)(O[5]C[5,6a])(H){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(COO)(H){1|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	116.9647	0.893	3	116.8488	1.696	6	116.6101	1.813	7	116.2361	3.496	18	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	3:4:3:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(COO)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)(O[5]C[5,6a])(H){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(COO)(H){1|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	116.7330	1.845	3	116.8488	1.696	6	116.6101	1.813	7	116.2361	3.496	18	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	3:4:3:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6a]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,6a])(H){2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H){1|H<1>,2|C<4>,6|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	116.8718	0.484	4	117.0424	0.321	5	117.0424	0.321	5	116.2361	3.496	18	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	3:4:3:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6a]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,6a])(H){2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H){3|H<1>,6|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	117.7250	0.000	1	117.0424	0.321	5	117.0424	0.321	5	116.2361	3.496	18	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	3:4:3:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	N[5,5]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]N[5,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5]N[5,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,1|S<2>,4|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	115.5100	1.305	2	115.9080	1.327	3	115.9080	1.327	3	116.2361	3.496	18	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	3:4:3:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	N[5,5]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]N[5,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5]N[5,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	116.7040	0.000	1	115.9080	1.327	3	115.9080	1.327	3	116.2361	3.496	18	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	3:4:3:2:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C-3:C-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6a]CC)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(COO)(CN)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]CC)(C[6a]C[6a]2)(O[5]C[5,6a])(H){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(COO)(CN){1|O<1>,2|C<3>,2|N<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	116.4790	0.000	1	116.4790	0.000	1	116.4790	0.000	1	116.4790	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	3:4:4:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-2:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]N[5,5]CH)(C[6a]C[6a]2)(N[5]C[5,5])(H)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[6a]N[5]H)(CHHO)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]N[5,5]CH)(C[6a]C[6a]2)(N[5]C[5,5])(H){1|S<2>,2|H<1>,3|C<3>}	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[6a]N[5]H)(CHHO)(H){1|S<2>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	111.8060	0.000	1	111.8060	0.000	1	111.8060	0.000	1	114.5274	2.116	7	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	3:4:4:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(CH3)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)(O[5]C[5,6a])(H){2|H<1>,4|C<3>}	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[6a](C[5]C[5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	116.3370	0.000	1	116.3370	0.000	1	116.3370	0.000	1	114.5274	2.116	7	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	3:4:4:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[6a]O[5]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6a])(H){1|C<4>,3|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[6a]O[5]H)(H){1|O<2>,2|H<1>,7|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	114.5157	0.604	4	114.5157	0.365	4	114.5157	0.365	4	114.5274	2.116	7	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	3:4:4:1:	4:3:3:	C[5]-4:C[6a]-3:S[5]-2:H-1:	N[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]N[5,6a]CH)(C[6a]C[6a]2)(S[5]C[5,6a])(H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5]H)(CH3)(H)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2	C[5](C[5]N[5,6a]CH)(C[6a]C[6a]2)(S[5]C[5,6a])(H){1|N<2>,2|H<1>,3|C<3>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5]H)(CH3)(H){1|N<2>,1|O<1>,3|C<3>}	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	115.4860	0.000	1	115.4860	0.000	1	115.4860	0.000	1	114.5274	2.116	7	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	4:3:1:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-2:H-1:	C[5]-4:N[5,6]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]N[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,6])(H)	C[5](C[5]C[6a]N[5]H)(N[5,6]C[5,6]2)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]N[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,6])(H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5,6]C[5,6]2)(H)2{1|Fe<10>,2|C<4>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	114.8340	3.610	3	114.8340	13.033	3	114.8340	13.033	3	114.8340	13.033	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	4:3:2:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-2:H-1:	C[5]-4:C[6a]-3:O[5]-2: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])(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5])(H){2|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,3|H<1>}	114.0817	0.911	7	114.0817	0.830	7	114.0817	0.830	7	114.4695	2.595	61	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	4:3:2:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5]O[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]N[5]O[5])(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]P)	C[5](C[5]C[5]O[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|H<1>,1|N<3>,1|O<2>,1|P<4>,2|C<3>,2|C<4>}	C[5](C[5]C[6a]O[5]H)(C[5]N[5]O[5])(O[5]C[5])(H){1|Pd<4>,2|C<3>,4|C<4>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]P){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	115.4690	0.000	1	115.4690	0.000	1	115.4690	0.000	1	114.4695	2.595	61	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	4:3:2:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5]-3:S-2:Cl-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5]ClS)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]O)(SC[6a])(Cl)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5]ClS)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]O)(SC[6a])(Cl){2|C<3>,2|C<4>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,1|S<2>,2|C<3>}	116.3440	0.000	1	116.3440	0.000	1	116.3440	0.000	1	114.4695	2.595	61	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	4:3:2:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:N[5]-2: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)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){2|H<1>,5|C<3>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5])(H){2|H<1>,5|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	113.7336	2.019	7	113.7336	4.075	7	113.7336	4.075	7	114.4695	2.595	61	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	4:3:2:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:O[5]-2: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]B[5,5])(H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]B[5,5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]B[5,5])(H){1|N<4>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]B[5,5])(H){1|N<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|B<4>,1|O<2>,2|C<3>,3|H<1>}	114.3140	0.064	2	114.3140	0.004	2	114.5805	2.645	45	114.4695	2.595	61	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	4:3:2:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:O[5]-2: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]B[5])(H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]B[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]B[5])(H){1|B<3>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]B[5])(H){1|B<3>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|B<3>,1|O<2>,2|C<3>,3|H<1>}	113.7070	0.255	4	113.9521	2.158	22	114.5805	2.645	45	114.4695	2.595	61	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	4:3:2:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:O[5]-2: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]B[5])(H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]B[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]B[5])(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]B[5])(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|B<3>,1|O<2>,2|C<3>,3|H<1>}	113.6816	1.295	16	113.9521	2.158	22	114.5805	2.645	45	114.4695	2.595	61	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	4:3:2:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:O[5]-2: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]B[5])(H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]B[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]B[5])(H){2|H<1>,5|C<3>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]B[5])(H){2|H<1>,5|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|B<3>,1|O<2>,2|C<3>,3|H<1>}	116.6065	2.108	2	113.9521	2.158	22	114.5805	2.645	45	114.4695	2.595	61	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	4:3:2:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:O[5]-2: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[5,5])(H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5,5])(H){2|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5,5])(H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	115.5832	0.795	4	115.5832	0.632	4	114.5805	2.645	45	114.4695	2.595	61	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	4:3:2:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:O[5]-2: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[5,6])(H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5,6])(H){2|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5,6])(H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	114.5807	1.490	6	114.9920	2.651	8	114.5805	2.645	45	114.4695	2.595	61	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	4:3:2:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:O[5]-2: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[5,6])(H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5,6])(H){2|H<1>,6|C<3>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5,6])(H){2|H<1>,6|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	116.2260	1.843	2	114.9920	2.651	8	114.5805	2.645	45	114.4695	2.595	61	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	4:3:2:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:O[5]-2: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])(H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,3|H<1>}	116.4820	0.000	1	116.4820	0.000	1	114.5805	2.645	45	114.4695	2.595	61	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	4:3:2:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:O[5]-2: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]P[5])(H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]P[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]F)2	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]P[5])(H){1|C<4>,1|W<6>,2|F<1>,4|C<3>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]P[5])(H){1|C<4>,1|W<6>,2|F<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]F)2{1|H<1>,1|O<2>,1|P<4>,2|C<3>,2|F<1>}	114.3825	1.460	2	114.3825	2.132	2	114.5805	2.645	45	114.4695	2.595	61	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	4:3:2:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:O[5]-2: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]P[5])(H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]P[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]P[5])(H){1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]P[5])(H){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|O<2>,1|P<4>,2|C<3>,3|H<1>}	118.1165	1.234	2	118.1165	1.523	2	114.5805	2.645	45	114.4695	2.595	61	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	4:3:2:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:O[5]-2: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]S[5])(H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]S[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]S[5])(H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]S[5])(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|O<2>,1|S<3>,2|C<3>,3|H<1>}	114.6995	0.773	2	114.6995	0.597	2	114.5805	2.645	45	114.4695	2.595	61	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	4:3:2:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:O[5]-2: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]Si[4,5])(H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]Si[4,5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]Si[4,5])(H){2|H<1>,3|N<3>,4|C<3>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]Si[4,5])(H){2|H<1>,3|N<3>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|Si<5>,1|O<2>,2|C<3>,3|H<1>}	113.6995	1.371	2	113.6995	1.880	2	114.5805	2.645	45	114.4695	2.595	61	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	4:3:2:3:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:O[5]-2:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5])(COO)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(O[5]C[5])(H){3|H<1>,5|C<3>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5])(COO){3|H<1>,5|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	115.9765	0.387	2	115.9765	0.150	2	115.9765	0.150	2	115.9765	0.150	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	4:3:2:4:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:O[5]-2:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5])(CH3)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,3|H<1>,4|C<3>}	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[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	117.2910	0.000	1	117.2910	0.000	1	117.2910	0.000	1	117.2910	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	4:3:3:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-2:H-1:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])(H){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	113.2030	0.000	1	113.2030	0.000	1	113.2030	0.000	1	115.6086	4.339	33	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	4:3:3:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-2:H-1:	C[5]-4:C[6a]-3:N[5]-3: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])(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(H){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	113.7450	1.323	4	113.7450	1.750	4	113.1636	1.954	7	115.6086	4.339	33	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	4:3:3:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-2:H-1:	C[5]-4:C[6a]-3:N[5]-3: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])(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(H){3|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	112.7310	0.000	1	112.7310	0.000	1	113.1636	1.954	7	115.6086	4.339	33	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	4:3:3:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-2:H-1:	C[5]-4:C[6a]-3:N[5]-3: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])(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	113.4700	0.000	1	112.2170	3.140	2	113.1636	1.954	7	115.6086	4.339	33	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	4:3:3:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-2:H-1:	C[5]-4:C[6a]-3:N[5]-3: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])(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(H){1|S<4>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]S)(H){2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	110.9640	0.000	1	112.2170	3.140	2	113.1636	1.954	7	115.6086	4.339	33	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	4:3:3:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-2:H-1:	C[5]-4:N[5]-3:C[6a]-3: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])(H)	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(H){2|H<1>,6|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){2|H<1>,7|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	114.5600	0.000	1	114.5600	0.000	1	114.5600	0.000	1	115.6086	4.339	33	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	4:3:3:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]N[5])(H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]N[5]C)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]N[5])(H){2|H<1>,5|C<3>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]N[5]C)(H){2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	112.7490	0.000	1	112.7490	0.000	1	112.7490	0.000	1	115.6086	4.339	33	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	4:3:3:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:N[5]-3: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)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]2)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]2)(H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	118.7340	0.000	1	116.4280	10.635	2	116.6888	2.339	16	115.6086	4.339	33	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	4:3:3:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:N[5]-3: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)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]2)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]2)(H){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	114.1220	0.000	1	116.4280	10.635	2	116.6888	2.339	16	115.6086	4.339	33	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	4:3:3:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:N[5]-3: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)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	114.9600	0.000	1	114.9600	0.000	1	116.6888	2.339	16	115.6086	4.339	33	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	4:3:3:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:N[5]-3: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)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	117.7714	0.308	5	117.7714	0.095	5	116.6888	2.339	16	115.6086	4.339	33	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	4:3:3:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:N[5]-3: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)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]Ir)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|Ir<8>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]Ir)(H){2|H<1>,5|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	117.5175	2.039	2	117.5175	4.156	2	116.6888	2.339	16	115.6086	4.339	33	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	4:3:3:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:N[5]-3: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)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]Pd)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|Pd<4>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]Pd)(H){2|H<1>,5|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	116.6310	0.000	1	116.6310	0.000	1	116.6888	2.339	16	115.6086	4.339	33	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	4:3:3:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:N[5]-3: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)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]Zn)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|Zn<4>,1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]Zn)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	117.5580	0.000	1	117.5580	0.000	1	116.6888	2.339	16	115.6086	4.339	33	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	4:3:3:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:N[5]-3: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)(O[5]P[5])(H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]P[5]C)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]P[5])(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]P[5]C)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<3>,1|P<4>,2|C<3>,3|H<1>}	115.0150	0.109	3	115.0150	0.012	3	116.6888	2.339	16	115.6086	4.339	33	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	4:3:3:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:N[5]-3: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)(O[5]S[5])(H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]S[5]H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]S[5])(H){2|O<1>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]S[5]H)(H){2|H<1>,2|O<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<3>,1|S<4>,2|C<3>,3|H<1>}	116.0790	0.000	1	116.0790	0.000	1	116.6888	2.339	16	115.6086	4.339	33	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	4:3:3:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:N[5]-3:C[6a]-3: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)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(N[5]C[3,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]O[5]H)(N[5]C[3,5]C[5])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	115.3770	0.000	1	115.3770	0.000	1	116.4867	1.843	7	115.6086	4.339	33	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	4:3:3:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:N[5]-3:C[6a]-3: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)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(N[5]C[4]C[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]O[5]H)(N[5]C[4]C[5])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	116.9770	0.000	1	116.9770	0.000	1	116.4867	1.843	7	115.6086	4.339	33	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	4:3:3:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:N[5]-3:C[6a]-3: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)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C[6])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	117.2257	0.258	3	117.2257	0.067	3	116.4867	1.843	7	115.6086	4.339	33	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	4:3:3:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:N[5]-3:C[6a]-3: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)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(N[5]C[5a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]O[5]H)(N[5]C[5a]C[5])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	117.4960	0.000	1	117.4960	0.000	1	116.4867	1.843	7	115.6086	4.339	33	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	4:3:3:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:N[5]-3:C[6a]-3: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)(O[5]Si[5])(H)	C[5](C[5]C[6a]O[5]H)(N[5]C[6a]Si[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]Si[5])(H){2|C<4>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]O[5]H)(N[5]C[6a]Si[5])(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,6|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|Si<4>,1|N<3>,2|C<3>,3|H<1>}	113.8800	0.000	1	113.8800	0.000	1	116.4867	1.843	7	115.6086	4.339	33	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	4:3:3:4:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:N[5]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(CHHO)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	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[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	117.1270	0.000	1	117.1270	0.000	1	117.1270	0.000	1	118.8915	6.227	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	4:3:3:4:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:N[5]-3:P-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]N[5]P)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(PO3)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]P)(C[6a]C[6a]2)(O[5]C[5])(H){1|S<1>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(PO3){1|S<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<3>,1|P<4>,2|H<1>,3|C<3>}	120.6560	0.000	1	120.6560	0.000	1	120.6560	0.000	1	118.8915	6.227	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	4:3:4:2:	4:3:3:	C[5]-4:C[6a]-3:N[5]-2:H-1:	C[5]-4:C[6a]-3:C[5]-4:C-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5])(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(CN)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5])(H){1|C<4>,4|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(CN){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<2>,2|C<3>,2|C<4>,2|H<1>}	121.0470	0.000	1	121.0470	0.000	1	121.0470	0.000	1	118.3320	8.554	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	4:3:4:2:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[5]-4:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(OH)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(OH){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	115.2350	0.000	1	116.9745	6.052	2	116.9745	6.052	2	118.3320	8.554	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	4:3:4:2:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[5]-4:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(OH)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,3|H<1>,5|C<3>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(OH){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	118.7140	0.000	1	116.9745	6.052	2	116.9745	6.052	2	118.3320	8.554	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	4:3:4:3:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[5]-4:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(COO)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(COO){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	116.6260	0.000	1	116.6260	0.000	1	116.5163	0.280	3	116.5163	0.280	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	4:3:4:3:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[5]-4:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(COO)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(O[5]C[5])(H){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(COO){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N){2|Br<1>,2|C<4>,3|C<3>}	116.4615	0.736	2	116.4615	0.542	2	116.5163	0.280	3	116.5163	0.280	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	4:4:1:1:	3:4:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[6a]-3:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[6a]O[5]H)(H)2	C[6a](C[6a]C[5a,6a]H)(C[5]C[5]O[5]H)(C[6a]C[6a]H)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|N<3>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[6a]O[5]H)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[5]C[5]O[5]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	113.9850	0.000	1	113.9850	0.000	1	113.9850	0.000	1	113.9850	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	4:4:1:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[4,5]HH)(C[6a]C[6a]2)(O[5]N[4,5])(H)	C[5](C[4,5]C[4,5]N[4,5]C[6a])(C[5]C[6a]O[5]H)(H)2	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[4,5]HH)(C[6a]C[6a]2)(O[5]N[4,5])(H){2|C<4>,2|H<1>,3|C<3>}	C[5](C[4,5]C[4,5]N[4,5]C[6a])(C[5]C[6a]O[5]H)(H)2{1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	113.1450	0.000	1	113.1450	0.000	1	113.1450	0.000	1	114.2475	4.953	40	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	4:4:1:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]O[5]H)(H)2	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]O[5]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	115.2090	0.000	1	115.2090	0.000	1	114.8502	2.357	21	114.2475	4.953	40	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	4:4:1:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]O[5]H)(H)2	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]O[5]H)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	114.8150	0.000	1	114.8097	0.254	3	114.8502	2.357	21	114.2475	4.953	40	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	4:4:1:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]O[5]H)(H)2	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]O[5]H)(H)2{1|H<1>,2|O<2>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	114.3030	0.000	1	114.8097	0.254	3	114.8502	2.357	21	114.2475	4.953	40	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	4:4:1:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]O[5]H)(H)2	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]O[5]H)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	115.3110	0.000	1	114.8097	0.254	3	114.8502	2.357	21	114.2475	4.953	40	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	4:4:1:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[5](C[5,5]C[5,5]C[5]Si)(C[5]C[6a]O[5]H)(H)2	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|Si<4>,1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]Si)(C[5]C[6a]O[5]H)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	113.7403	1.525	8	113.7403	2.325	8	114.8502	2.357	21	114.2475	4.953	40	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	4:4:1:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[5](C[5,5]C[5,5]N[5]C)(C[5]C[6a]O[5]H)(H)2	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]N[5]C)(C[5]C[6a]O[5]H)(H)2{1|C<4>,1|O<2>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	116.6120	0.000	1	116.6120	0.000	1	114.8502	2.357	21	114.2475	4.953	40	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	4:4:1:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[6a]O[5]H)(H)2	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[6a]O[5]H)(H)2{1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	118.3180	0.000	1	118.3180	0.000	1	114.8502	2.357	21	114.2475	4.953	40	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	4:4:1:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[6a]O[5]H)(H)2	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|N<2>,1|N<3>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[6a]O[5]H)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,2|C<4>,3|H<1>}	114.7000	0.000	1	114.7000	0.000	1	114.8502	2.357	21	114.2475	4.953	40	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	4:4:1:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[6a]O[5]H)(H)2	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|N<3>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[6a]O[5]H)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	115.6340	0.477	3	115.6340	0.228	3	114.8502	2.357	21	114.2475	4.953	40	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	4:4:1:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]O[5]H)(H)2	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]O[5]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	116.0920	0.000	1	115.0495	2.174	2	114.8502	2.357	21	114.2475	4.953	40	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	4:4:1:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]O[5]H)(H)2	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5])(H){3|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]O[5]H)(H)2{1|H<1>,1|N<2>,1|O<2>,5|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	114.0070	0.000	1	115.0495	2.174	2	114.8502	2.357	21	114.2475	4.953	40	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	4:4:1:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]N[5,5])(H)	C[5](C[5,5]N[5,5]C[5]F)(C[5]C[6a]O[5]H)(H)2	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]N[5,5])(H){1|C<4>,1|F<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,5]N[5,5]C[5]F)(C[5]C[6a]O[5]H)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	115.6630	0.000	1	115.6630	0.000	1	114.8502	2.357	21	114.2475	4.953	40	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	4:4:1:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(H)2	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(O[5]C[5,6])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(H)2{1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	115.9405	0.289	2	115.0320	2.518	3	114.2502	1.930	6	114.2475	4.953	40	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	4:4:1:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(H)2	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(O[5]C[5,6])(H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	113.2150	0.000	1	115.0320	2.518	3	114.2502	1.930	6	114.2475	4.953	40	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	4:4:1:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(O[5]N[5,6])(H)	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[6a]O[5]H)(H)2	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(O[5]N[5,6])(H){2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]C)(C[5]C[6a]O[5]H)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<4>,4|H<1>}	113.8160	0.472	2	113.8160	0.223	2	114.2502	1.930	6	114.2475	4.953	40	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	4:4:1:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(O[5]N[5,6])(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[6a]O[5]H)(H)2	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(O[5]N[5,6])(H){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[6a]O[5]H)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	112.7730	0.000	1	112.7730	0.000	1	114.2502	1.930	6	114.2475	4.953	40	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	4:4:1:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5]BrH)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(Br)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5]C[5]BrH)(C[6a]C[6a]2)(O[5]C[5])(H){1|B<4>,1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(Br)(H){1|B<4>,1|H<1>,2|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	121.3230	0.000	1	121.3230	0.000	1	116.2090	14.960	4	114.2475	4.953	40	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	4:4:1:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5]BrH)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(Br)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5]BrH)(C[6a]C[6a]2)(O[5]C[5])(H){1|B<4>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(Br)(H){1|B<4>,1|H<1>,2|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	113.2140	0.139	2	114.5043	5.004	3	116.2090	14.960	4	114.2475	4.953	40	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	4:4:1:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5]BrH)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(Br)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5]BrH)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(Br)(H){1|O<1>,2|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	117.0850	0.000	1	114.5043	5.004	3	116.2090	14.960	4	114.2475	4.953	40	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	4:4:1:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]N[5,5]HH)(C[6a]C[6a]2)(O[5]B[5,5])(H)	C[5](N[5,5]B[5,5]C[5]C)(C[5]C[6a]O[5]H)(H)2	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]N[5,5]HH)(C[6a]C[6a]2)(O[5]B[5,5])(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](N[5,5]B[5,5]C[5]C)(C[5]C[6a]O[5]H)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|B<4>,1|C<3>,1|N<4>,4|H<1>}	111.8206	1.696	8	111.8206	2.877	8	111.8206	2.877	8	114.2475	4.953	40	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	4:4:2:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[4,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[4,5]HO)(C[6a]C[6a]2)(O[5]C[4,5])(H)	C[5](C[4,5]C[4,5]N[4]H)(C[5]C[6a]O[5]H)(OH)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[4,5]HO)(C[6a]C[6a]2)(O[5]C[4,5])(H){1|N<3>,3|C<3>,4|H<1>}	C[5](C[4,5]C[4,5]N[4]H)(C[5]C[6a]O[5]H)(OH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	112.9070	0.000	1	113.2756	0.479	5	113.2756	0.479	5	114.0836	2.542	7	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	4:4:2:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[4,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[4,5]HO)(C[6a]C[6a]2)(O[5]C[4,5])(H)	C[5](C[4,5]C[4,5]N[4]H)(C[5]C[6a]O[5]H)(OH)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[4,5]HO)(C[6a]C[6a]2)(O[5]C[4,5])(H){1|N<3>,3|C<3>,4|H<1>}	C[5](C[4,5]C[4,5]N[4]H)(C[5]C[6a]O[5]H)(OH)(H){1|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	113.3678	0.763	4	113.2756	0.479	5	113.2756	0.479	5	114.0836	2.542	7	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	4:4:2:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(CN)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5,6])(H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(CN)(H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<2>,1|C<3>,2|C<4>,3|H<1>}	117.0810	0.000	1	117.0810	0.000	1	117.0810	0.000	1	114.0836	2.542	7	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	4:4:2:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5]O[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]N[5]H)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5]O[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]N[5]H)(O[5]C[5])(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	115.1260	0.000	1	115.1260	0.000	1	115.1260	0.000	1	114.0836	2.542	7	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	4:4:2:2:	4:3:3:	C[5]-4:C[6a]-3:N[5]-2:H-1:	C[5]-4:C[5,5]-4:C-2:C-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(N[5]C[5])(H)	C[5](C[5]C[6a]N[5]H)(C[5,5]C[5]3)(CN)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(N[5]C[5])(H){2|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5,5]C[5]3)(CN)2{1|N<2>,1|N<3>,1|O<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<2>,2|C<3>,2|H<1>}	113.4450	0.000	1	113.4450	0.000	1	113.4450	0.000	1	114.9840	4.737	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	4:4:2:2:	4:3:3:	C[5]-4:C[6a]-3:S[5]-2:H-1:	C[5]-4:C[5,5]-4:C-2:C-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(S[5]C[5])(H)	C[5](C[5]C[6a]S[5]H)(C[5,5]C[5]3)(CN)2	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(S[5]C[5])(H){1|N<2>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]S[5]H)(C[5,5]C[5]3)(CN)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|N<2>}	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<2>,2|C<3>,2|H<1>}	116.5230	0.000	1	116.5230	0.000	1	116.5230	0.000	1	114.9840	4.737	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	4:4:3:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,5])(H){2|H<1>,8|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,8|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	114.0541	1.779	9	114.0541	3.165	9	114.0541	3.165	9	114.8020	3.141	26	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	4:4:3:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(CHO)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5,6])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(CHO)(H){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	118.2140	0.000	1	118.2140	0.000	1	118.6010	0.300	2	114.8020	3.141	26	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	4:4:3:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]O[5]H)(COO)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]O[5]H)(COO)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|H<1>,2|C<3>,2|C<4>,2|O<2>}	118.9880	0.000	1	118.9880	0.000	1	118.6010	0.300	2	114.8020	3.141	26	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	4:4:3:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-4:N-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6]HN)(C[6a]C[6a]2)(O[5]N[5,6])(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[6a]O[5]H)(NOO)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6]HN)(C[6a]C[6a]2)(O[5]N[5,6])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[6a]O[5]H)(NOO)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|N<3>,3|H<1>}	114.9720	0.000	1	114.9720	0.000	1	114.9720	0.000	1	114.8020	3.141	26	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	4:4:3:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){4|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,7|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	114.6157	1.154	4	114.7280	1.453	14	114.7280	1.453	14	114.8020	3.141	26	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	4:4:3:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){4|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	114.7729	1.283	10	114.7280	1.453	14	114.7280	1.453	14	114.8020	3.141	26	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	4:4:3:3:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C[6a]-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(O[5]C[3,5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[3,5]HH)(C[6a]C[6a]2)(COO)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(O[5]C[3,5])(H){2|C<4>,4|C<3>,4|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[3,5]HH)(C[6a]C[6a]2)(COO){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	112.7040	0.000	1	112.7040	0.000	1	114.6790	7.801	2	114.6790	7.801	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	4:4:3:3:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C[6a]-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(COO)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(COO){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	116.6540	0.000	1	116.6540	0.000	1	114.6790	7.801	2	114.6790	7.801	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	4:4:4:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[6a]O[5]H)(CH3)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|O<2>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[6a]O[5]H)(CH3)(H){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	113.1650	0.000	1	113.1650	0.000	1	113.1650	0.000	1	116.3084	3.283	5	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	4:4:4:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(CHHO)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5,6])(H){2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(CHHO)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	117.2390	0.706	2	117.2390	0.498	2	117.0370	0.371	3	116.3084	3.283	5	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	4:4:4:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[6a]O[5]H)(CH3)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5,6])(H){1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[6a]O[5]H)(CH3)(H){1|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	116.6330	0.000	1	116.6330	0.000	1	117.0370	0.371	3	116.3084	3.283	5	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:1:	4:4:4:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(C[5]O[5]2H)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6])(H){1|C<4>,2|C<3>,3|O<2>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(C[5]O[5]2H)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	117.2660	0.000	1	117.2660	0.000	1	117.2660	0.000	1	116.3084	3.283	5	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:2:	4:3:2:2:	4:3:3:	C[5]-4:C[6a]-3:N[5]-2:N[5]-2:	C[5]-4:C[6a]-3:N[5]-2:N[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]N[5]2)(C[6a]C[6a]2)(N[5]C[5])2	C[5](C[5]C[6a]N[5]2)(C[6a]C[6a]2)(N[5]C[5])2	C[6a](C[5]C[5]N[5]2)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]2)(C[6a]C[6a]2)(N[5]C[5])2{2|H<1>,8|C<3>}	C[5](C[5]C[6a]N[5]2)(C[6a]C[6a]2)(N[5]C[5])2{2|H<1>,8|C<3>}	C[6a](C[5]C[5]N[5]2)(C[6a]C[6a]H)2{2|H<1>,2|N<2>,4|C<3>}	111.3940	0.000	1	111.3940	0.000	1	111.3940	0.000	1	112.0980	0.357	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:2:	4:3:2:2:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:O[5]-2:	C[5]-4:C[6a]-3:O[5]-2:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]O[5]2)(C[6a]C[6a]2)(O[5]C[5,6])2	C[5](C[5]C[6a]O[5]2)(C[6a]C[6a]2)(O[5]C[5,6])2	C[6a](C[5]C[5]O[5]2)(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5]2)(C[6a]C[6a]2)(O[5]C[5,6])2{3|H<1>,4|C<3>,5|C<4>}	C[5](C[5]C[6a]O[5]2)(C[6a]C[6a]2)(O[5]C[5,6])2{3|H<1>,4|C<3>,5|C<4>}	C[6a](C[5]C[5]O[5]2)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>,2|O<2>}	112.0865	0.213	2	112.0865	0.045	2	112.3327	0.204	3	112.0980	0.357	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:2:	4:3:2:2:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:O[5]-2:	C[5]-4:C[6a]-3:O[5]-2:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]O[5]2)(C[6a]C[6a]2)(O[5]C[5])2	C[5](C[5]C[6a]O[5]2)(C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[5]C[5]O[5]2)(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5]2)(C[6a]C[6a]2)(O[5]C[5])2{2|C<4>,4|C<3>,6|H<1>}	C[5](C[5]C[6a]O[5]2)(C[6a]C[6a]2)(O[5]C[5])2{2|C<4>,4|C<3>,6|H<1>}	C[6a](C[5]C[5]O[5]2)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>,2|O<2>}	112.8250	0.000	1	112.8250	0.000	1	112.3327	0.204	3	112.0980	0.357	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:2:	4:4:1:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:O-2:	C[5]-4:C[5]-4:Br-1:Br-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5]Br2)(C[6a]C[6a]2)(O[5]C[5])(OH)	C[5](C[5]C[6a]O[5]O)(C[5]C[5]HH)(Br)2	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)2	C[5](C[5]C[5]Br2)(C[6a]C[6a]2)(O[5]C[5])(OH){2|C<3>,6|H<1>}	C[5](C[5]C[6a]O[5]O)(C[5]C[5]HH)(Br)2{2|C<3>,2|H<1>}	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)2{2|Br<1>,1|C<3>,2|C<4>,2|H<1>}	117.9180	0.328	2	117.9180	0.108	2	117.9180	0.108	2	117.9180	0.108	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:3:	3:4:3:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:C-3:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6a]HN)(C[6a]C[6a]2)(O[5]C[5,6a])(CCC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]C)(NHP)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]HN)(C[6a]C[6a]2)(O[5]C[5,6a])(CCC){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]C)(NHP)(H){1|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	117.5970	0.000	1	117.5970	0.000	1	117.5970	0.000	1	117.5970	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:3:	3:4:4:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:C-3:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)(O[5]C[5,6a])(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]C)(CCHH)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)(O[5]C[5,6a])(COO){2|H<1>,4|C<3>}	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[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	116.4560	0.000	1	116.4560	0.000	1	116.4560	0.000	1	116.4560	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:3:	4:3:2:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:C-3:	C[5]-4:C[6a]-3:O[5]-2: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])(COO)	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(O[5]C[5])(H)	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])(COO){3|H<1>,5|C<3>}	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(O[5]C[5])(H){3|H<1>,5|C<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>}	114.3310	0.315	2	114.3310	0.099	2	114.3310	0.099	2	114.3310	0.099	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:3:	4:3:3:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-2:C-3:	C[5]-4:C[6a]-3:N[5]-3: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])(COO)	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H)	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])(COO){1|S<4>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H){3|H<1>,4|C<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>}	115.8430	0.000	1	115.8430	0.000	1	115.8430	0.000	1	115.8430	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:3:	4:3:4:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:C-3:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(CC[6a]O)	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(CC[6a]O){1|O<1>,4|C<3>,4|H<1>}	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	114.3030	0.000	1	114.3030	0.000	1	114.6360	5.678	4	114.6360	5.678	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:3:	4:3:4:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:C-3:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(COO)	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(COO){4|H<1>,6|C<3>}	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]CH)(H){3|H<1>,5|C<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>}	116.8920	0.000	1	116.8920	0.000	1	114.6360	5.678	4	114.6360	5.678	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:3:	4:3:4:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:C-3:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(COO)	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(COO){5|C<3>,5|H<1>}	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|H<1>,5|C<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>}	115.9090	0.000	1	115.9090	0.000	1	114.6360	5.678	4	114.6360	5.678	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:3:	4:3:4:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:C-3:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(COO)	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(COO){1|N<3>,4|H<1>,5|C<3>}	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|O<2>,2|H<1>,5|C<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>}	111.4400	0.000	1	111.4400	0.000	1	114.6360	5.678	4	114.6360	5.678	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:3:	4:4:1:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-2:C-3:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5])(COO)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]N[5]C)(H)2	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5])(COO){1|N<3>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]N[5]C)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	112.1973	0.699	6	112.1973	0.489	6	112.1973	0.489	6	112.9774	1.925	9	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:3:	4:4:1:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-2:C-3:	C[5]-4:C[5,5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5])(COO)	C[5](C[5]C[6a]N[5]C)(C[5,5]C[5]3)(H)2	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5])(COO){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]C)(C[5,5]C[5]3)(H)2{1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	113.4080	0.000	1	113.4080	0.000	1	113.4080	0.000	1	112.9774	1.925	9	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:3:	4:4:1:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:C-3:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[4,5]HH)(C[6a]C[6a]2)(O[5]C[5])(COO)	C[5](C[4,5]C[4]2C[5])(C[5]C[6a]O[5]C)(H)2	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C[5](C[5]C[4,5]HH)(C[6a]C[6a]2)(O[5]C[5])(COO){1|C<4>,2|H<1>,5|C<3>}	C[5](C[4,5]C[4]2C[5])(C[5]C[6a]O[5]C)(H)2{1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	115.1025	0.293	2	115.1025	0.086	2	115.1025	0.086	2	112.9774	1.925	9	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:3:	4:4:3:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-2:C-3:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(N[5]C[5])(COO)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]N[5]C)(COO)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(N[5]C[5])(COO){3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]N[5]C)(COO)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	111.5930	0.438	2	111.5930	0.192	2	111.5930	0.192	2	111.5930	0.192	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:4:	3:4:1:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:C-4:	C[5,6a]-3:C[5]-4: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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]C)(H)2	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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]C)(H)2{1|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	113.1450	0.000	1	113.1450	0.000	1	112.6500	0.490	2	112.6500	0.490	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:4:	3:4:1:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:C-4:	C[5,6a]-3:C[5]-4: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[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[6a]O[5]C)(H)2	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[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[6a]O[5]C)(H)2{5|C<3>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	112.1550	0.000	1	112.1550	0.000	1	112.6500	0.490	2	112.6500	0.490	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:4:	3:4:2:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-2:C-4:	C[6a]-3:C[5]-4:O[5]-2: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])(CF3)	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]C)(O[5]C[5])(H)	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[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]C)(O[5]C[5])(H){2|H<1>,4|C<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>}	113.0550	0.000	1	113.0550	0.000	1	113.0550	0.000	1	110.5597	4.996	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:4:	3:4:2:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:C-4:	C[5,6a]-3:C[5]-4:O-2: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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]C)(OC)(H)	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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]C)(OC)(H){1|H<1>,4|C<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>}	108.7410	0.000	1	108.7410	0.000	1	109.3120	0.652	2	110.5597	4.996	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:4:	3:4:2:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:C-4:	C[5,6a]-3:C[5]-4:O-2: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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]C)(OH)(H)	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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]C)(OH)(H){1|H<1>,4|C<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>}	109.8830	0.000	1	109.8830	0.000	1	109.3120	0.652	2	110.5597	4.996	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:4:	4:3:2:1:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:C-4:	C[5]-4:C[6a]-3:O[5]-2: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[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(O[5]C[5])(H)	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[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,3|H<1>,4|C<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>}	113.2710	0.000	1	113.2710	0.000	1	113.2710	0.000	1	113.2710	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:4:	4:3:3:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-2:C-4:	C[5]-4:C[6a]-3:N[5]-3: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])(CF3)	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H)	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[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H){3|H<1>,4|C<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>}	114.8140	0.000	1	114.8140	0.000	1	114.8140	0.000	1	112.0015	15.820	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:4:	4:3:3:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-2:C-4:	C[5]-4:N[5]-3:C[6a]-3: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[5](C[5]C[6a]N[5]C)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	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[5](C[5]C[6a]N[5]C)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){2|H<1>,7|C<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>}	109.1890	0.000	1	109.1890	0.000	1	109.1890	0.000	1	112.0015	15.820	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:2:4:	4:3:3:2:	4:3:3:	C[5]-4:C[6a]-3:O[5]-2:C-4:	C[5]-4:N[5]-3:C[6a]-3:O-2:	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[5](C[5]C[6a]O[5]C)(N[5]C[6a]C[5])(C[6a]C[6a]2)(OH)	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[5](C[5]C[6a]O[5]C)(N[5]C[6a]C[5])(C[6a]C[6a]2)(OH){1|O<1>,2|H<1>,6|C<3>}	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>}	112.9670	0.000	1	112.9670	0.000	1	112.9670	0.000	1	112.9670	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	3:3:4:1:	3:4:2:	C[5]-4:C[6a]-3:C[5]-3:H-1:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[5]-4:N[6a]-2:	C[5](C[5]N[5,6]C[6a]H)(C[6a]C[6a]N[6a])(C[5]C[5,6]N)(H)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(C[5]C[6a]C[5]H)(H)	C[6a](C[6a]C[6a]H)(C[5]C[5]2H)(N[6a]C[6a])	C[5](C[5]N[5,6]C[6a]H)(C[6a]C[6a]N[6a])(C[5]C[5,6]N)(H){1|H<1>,1|N<2>,5|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(C[5]C[6a]C[5]H)(H){1|N<2>,1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)(C[5]C[5]2H)(N[6a]C[6a]){2|N<3>,3|C<3>,3|H<1>}	114.4870	0.000	1	114.4870	0.000	1	114.4870	0.000	1	114.4870	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	3:4:1:1:	3:3:4:	C[5]-4:C[5]-3:C[6a]-3:F-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)(F)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]F)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2F)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)(F){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]F)(H)2{1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2F){1|O<1>,3|C<3>,4|H<1>}	115.8450	0.000	1	115.8450	0.000	1	115.8450	0.000	1	113.6197	3.899	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	3:4:1:1:	3:3:4:	C[5]-4:C[5]-3:C[6a]-3:H-1:	C[5,5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){3|C<3>,5|H<1>}	112.9370	0.000	1	112.9370	0.000	1	112.9370	0.000	1	113.6197	3.899	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	3:4:1:1:	3:3:4:	C[5]-4:C[5]-3:C[6a]-3:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]N[5,6]HH)(C[5]C[5,6]C)(C[6a]C[6a]2)(H)	C[5](N[5,6]C[5,6]S[6])(C[5]C[6a]C[5]H)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]N[5,6]HH)(C[5]C[5,6]C)(C[6a]C[6a]2)(H){1|S<4>,2|H<1>,3|C<3>}	C[5](N[5,6]C[5,6]S[6])(C[5]C[6a]C[5]H)(H)2{1|C<4>,1|O<2>,2|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	112.0770	0.000	1	112.0770	0.000	1	112.0770	0.000	1	113.6197	3.899	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	3:4:1:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]N[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]N[5]H)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]N[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]N[5]H)(H)2{1|C<4>,1|S<2>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,5|H<1>}	113.3150	0.000	1	113.3150	0.000	1	113.3150	0.000	1	112.1733	1.342	7	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	3:4:1:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]N[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,6]C)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[6a]N[5]H)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]N[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,6]C)(H){2|H<1>,4|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[6a]N[5]H)(H)2{1|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	113.9610	0.000	1	113.9610	0.000	1	113.9610	0.000	1	112.1733	1.342	7	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	3:4:1:1:	4:3:3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H){1|Cl<1>,1|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(H)2{1|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){4|C<3>,4|H<1>}	111.3190	0.000	1	111.3190	0.000	1	111.5874	0.459	5	112.1733	1.342	7	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	3:4:1:1:	4:3:3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(H)2{1|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,3|H<1>,4|C<3>}	110.7800	0.000	1	110.7800	0.000	1	111.5874	0.459	5	112.1733	1.342	7	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	3:4:1:1:	4:3:3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(H)2{1|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,3|H<1>,4|C<3>}	112.6350	0.000	1	112.1620	0.447	2	111.5874	0.459	5	112.1733	1.342	7	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	3:4:1:1:	4:3:3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(H)2{1|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	111.6890	0.000	1	112.1620	0.447	2	111.5874	0.459	5	112.1733	1.342	7	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	3:4:1:1:	4:3:3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(H)2{1|H<1>,1|S<4>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|S<4>,3|C<3>,4|H<1>}	111.5140	0.000	1	111.5140	0.000	1	111.5874	0.459	5	112.1733	1.342	7	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	3:4:2:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5](C[6a]C[5a,6a]N[6a])(C[5]C[6a]C[5]H)(O[5]C[5])(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[6a]C[5a,6a]N[6a])(C[5]C[6a]C[5]H)(O[5]C[5])(H){1|N<3>,1|O<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|O<2>,3|H<1>,4|C<3>}	113.0190	0.000	1	113.0190	0.000	1	113.0190	0.000	1	113.0190	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	3:4:2:4:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5a]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5a]O[5]C)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5](C[5a]C[5a]S[5a])(C[5]C[6a]N[5]H)(O[5]C[5])(CH3)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5a]O[5]C)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|S<1>,1|S<2>,2|H<1>,3|C<3>}	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[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	115.8890	0.000	1	115.8890	0.000	1	115.8890	0.000	1	115.8890	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	3:4:3:1:	3:3:4:	C[5]-4:C[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|H<1>,1|O<1>,2|C<4>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|O<1>,3|H<1>,4|C<3>}	122.4600	0.000	1	118.4830	31.633	2	118.4830	31.633	2	116.2528	14.122	5	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	3:4:3:1:	3:3:4:	C[5]-4:C[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|O<1>,3|H<1>,4|C<3>}	114.5060	0.000	1	118.4830	31.633	2	118.4830	31.633	2	116.2528	14.122	5	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	3:4:3:1:	3:3:4:	C[5]-4:C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|N<2>,2|H<1>,6|C<3>}	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(H){1|N<2>,1|N<3>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	113.3840	0.000	1	113.3840	0.000	1	113.3840	0.000	1	116.2528	14.122	5	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	3:4:3:1:	3:3:4:	C[5]-4:C[5]-3:C[6a]-3:H-1:	N[5,5]-3:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(C[6a]C[6a]2)(H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(C[6a]C[6a]2)(H){1|C<4>,2|H<1>,5|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|O<1>,2|C<3>,2|N<3>,3|H<1>}	117.1020	0.000	1	117.1020	0.000	1	117.1020	0.000	1	116.2528	14.122	5	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	3:4:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[5](C[5a]C[5a]N[5a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O)(H){1|C<2>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<2>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	113.8120	0.000	1	113.8120	0.000	1	113.8120	0.000	1	116.2528	14.122	5	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	3:4:3:1:	3:4:3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	N[4,5]-3:C[5]-4:C-3:H-1:	C[6a]-3:C[5]-4:C[6a]-3:	C[5](C[5]N[4,5]CH)(C[6a]C[6a]2)(N[5]C[4,5]S)(H)	C[5](N[4,5]C[4,5]C[4])(C[5]C[6a]N[5]H)(COO)(H)	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5]H)(C[6a]C[6a]H)	C[5](C[5]N[4,5]CH)(C[6a]C[6a]2)(N[5]C[4,5]S)(H){1|C<4>,3|C<3>,3|H<1>}	C[5](N[4,5]C[4,5]C[4])(C[5]C[6a]N[5]H)(COO)(H){1|C<4>,1|H<1>,1|O<1>,1|S<4>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|S<4>,2|H<1>,3|C<3>}	114.9670	0.000	1	114.9670	0.000	1	114.9670	0.000	1	114.9670	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	3:4:3:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	N[5,6]-3:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]N[5,6]CH)(C[6a]C[6a]2)(N[5]C[5,6]S)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[6a]N[5]H)(COO)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]N[5,6]CH)(C[6a]C[6a]2)(N[5]C[5,6]S)(H){1|C<4>,3|C<3>,3|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[6a]N[5]H)(COO)(H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|S<4>,2|C<3>,3|H<1>}	114.3160	0.000	1	114.3160	0.000	1	114.3160	0.000	1	112.8374	2.817	10	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	3:4:3:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	N[5,6]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]N[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,6]H)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]N[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,6]H)(H){1|C<4>,2|H<1>,5|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	111.4190	0.000	1	111.4190	0.000	1	111.4190	0.000	1	112.8374	2.817	10	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	3:4:3:1:	4:3:3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CCH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CCH)(H){1|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	112.0290	0.000	1	112.0290	0.000	1	112.9349	3.423	7	112.8374	2.817	10	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	3:4:3:1:	4:3:3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CC[6a]O)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CC[6a]O)(H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	114.4687	1.541	3	113.4333	5.872	4	112.9349	3.423	7	112.8374	2.817	10	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	3:4:3:1:	4:3:3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CC[6a]O)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CC[6a]O)(H){1|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	110.3270	0.000	1	113.4333	5.872	4	112.9349	3.423	7	112.8374	2.817	10	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	3:4:3:1:	4:3:3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(COO)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(COO)(H){1|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	112.3910	0.720	2	112.3910	0.518	2	112.9349	3.423	7	112.8374	2.817	10	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	3:4:3:1:	4:3:3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]2)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]2)(H){1|C<4>,1|O<2>,3|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	112.0950	0.000	1	112.0950	0.000	1	112.0950	0.000	1	112.8374	2.817	10	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	3:4:3:2:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-3:C[5]-4:C[6a]-3:C-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6]C[6a]C)(C[6a]C[6a]2)(N[5]C[5,6]H)(H)	C[5](C[5,6]C[5,6]N[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(CN)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6]C[6a]C)(C[6a]C[6a]2)(N[5]C[5,6]H)(H){1|N<3>,2|H<1>,5|C<3>}	C[5](C[5,6]C[5,6]N[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(CN){4|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<2>,3|H<1>,4|C<3>}	116.5373	0.973	3	116.5373	0.946	3	116.5373	0.946	3	116.2460	1.063	7	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	3:4:3:2:	4:3:3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:C-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(CN)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(CN){4|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<2>,3|H<1>,4|C<3>}	115.3815	0.793	2	115.3815	0.628	2	116.0275	1.346	4	116.2460	1.063	7	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	3:4:3:2:	4:3:3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:C-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(CN)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)(H){1|N<2>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(CN){3|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<2>,3|H<1>,4|C<3>}	116.6735	1.319	2	116.6735	1.739	2	116.0275	1.346	4	116.2460	1.063	7	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	3:4:3:3:	4:3:3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C-3:C-3:	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)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CC[6a]O)2	C[6a](C[5]C[5]N[5]H)(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)(H){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CC[6a]O)2{1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	113.5560	0.000	1	113.5560	0.000	1	115.4917	2.878	3	115.2512	1.346	6	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	3:4:3:3:	4:3:3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]O)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(COO)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]O)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(COO)2{1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,5|C<3>}	116.4595	0.368	2	116.4595	0.136	2	115.4917	2.878	3	115.2512	1.346	6	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	3:4:3:3:	4:3:3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(CC[6a]O){4|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	114.3970	0.000	1	114.3970	0.000	1	115.0107	0.314	3	115.2512	1.346	6	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	3:4:3:3:	4:3:3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(COO)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(COO){4|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	115.3175	0.252	2	115.3175	0.064	2	115.0107	0.314	3	115.2512	1.346	6	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	3:4:4:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5]H)(C[5]C[6a]C[5]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){3|H<1>,6|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5]H)(C[5]C[6a]C[5]H)(H){1|C<2>,1|H<1>,1|N<3>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	113.1585	2.396	2	113.1585	5.743	2	113.1585	5.743	2	113.5393	3.306	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	3:4:4:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[5]-4:C[5]-4: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]H)(H)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)(H){4|H<1>,5|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,3|C<3>,4|H<1>}	114.3010	0.000	1	114.3010	0.000	1	114.3010	0.000	1	113.5393	3.306	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	3:4:4:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[5](C[5a]C[5a]O[5a])(C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|O<2>,4|H<1>,5|C<3>}	C[5](C[5a]C[5a]O[5a])(C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(H){1|H<1>,1|N<2>,1|N<3>,7|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	112.5040	0.000	1	112.5040	0.000	1	112.5040	0.000	1	113.9023	2.113	8	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	3:4:4:1:	4:3:3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[6a]N[5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[6a]N[5]H)(H){1|N<3>,2|H<1>,8|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	112.7680	0.716	2	112.7680	0.512	2	113.8708	2.063	6	113.9023	2.113	8	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	3:4:4:1:	4:3:3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[6a]N[5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[6a]N[5]H)(H){1|N<3>,1|S<4>,2|H<1>,7|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,1|S<4>,2|H<1>,3|C<3>}	114.3225	1.019	2	114.4223	2.051	4	113.8708	2.063	6	113.9023	2.113	8	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	3:4:4:1:	4:3:3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[6a]N[5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[6a]N[5]H)(H){1|N<3>,1|S<4>,2|H<1>,7|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,3|C<3>,3|H<1>}	114.5220	2.253	2	114.4223	2.051	4	113.8708	2.063	6	113.9023	2.113	8	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	3:4:4:1:	4:3:3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(C[5]O[5]HH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|N<2>,4|H<1>,5|C<3>}	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(C[5]O[5]HH)(H){1|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	115.4890	0.000	1	115.4890	0.000	1	115.4890	0.000	1	113.9023	2.113	8	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:3:2:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:N[5]-2: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]C)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])(H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<2>,3|H<1>,4|C<3>}	113.4960	0.000	1	113.4960	0.000	1	113.4960	0.000	1	114.2980	1.286	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:3:2:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]N[5]C)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]N[5])(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]N[5]C)(H){2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]N[5])(H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<2>,1|O<2>,3|C<3>,3|H<1>}	115.1000	0.000	1	115.1000	0.000	1	115.1000	0.000	1	114.2980	1.286	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:3:2:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:N[5]-2: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]C)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){2|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,3|C<3>,3|H<1>}	114.7987	1.097	4	114.7987	1.203	4	114.3033	1.509	7	114.5993	3.373	31	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:3:2:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:N[5]-2: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]H)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){2|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(H){3|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,4|H<1>}	113.1090	0.000	1	113.1090	0.000	1	114.3033	1.509	7	114.5993	3.373	31	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:3:2:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:N[5]-2: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]S)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,1|S<4>,3|C<3>,3|H<1>}	112.7420	0.000	1	113.9095	2.726	2	114.3033	1.509	7	114.5993	3.373	31	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:3:2:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:N[5]-2: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]S)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]S)(H){2|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(H){1|S<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,1|S<4>,3|C<3>,3|H<1>}	115.0770	0.000	1	113.9095	2.726	2	114.3033	1.509	7	114.5993	3.373	31	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:3:2:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:O[5]-2: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]2)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]2)(H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	114.6490	0.000	1	115.8410	2.842	2	115.1829	3.450	16	114.5993	3.373	31	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:3:2:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:O[5]-2: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]2)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]2)(H){1|O<1>,2|H<1>,6|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,3|H<1>,4|C<3>}	117.0330	0.000	1	115.8410	2.842	2	115.1829	3.450	16	114.5993	3.373	31	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:3:2:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:O[5]-2: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)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|O<2>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	115.5210	0.000	1	115.5210	0.000	1	115.1829	3.450	16	114.5993	3.373	31	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:3:2:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:O[5]-2: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)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5]N[5]H)(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)(H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	116.6774	1.384	5	116.6774	1.916	5	115.1829	3.450	16	114.5993	3.373	31	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:3:2:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:O[5]-2: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]Ir)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]Ir)(H){2|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|Ir<8>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Ir<8>,1|O<2>,3|C<3>,3|H<1>}	113.7520	1.232	2	113.7520	1.517	2	115.1829	3.450	16	114.5993	3.373	31	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:3:2:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:O[5]-2: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]Pd)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]Pd)(H){2|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|Pd<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Pd<4>,1|O<2>,3|C<3>,3|H<1>}	117.0210	0.000	1	117.0210	0.000	1	115.1829	3.450	16	114.5993	3.373	31	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:3:2:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:O[5]-2: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]Zn)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]Zn)(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|Zn<4>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Zn<4>,1|O<2>,3|C<3>,3|H<1>}	115.0770	0.000	1	115.0770	0.000	1	115.1829	3.450	16	114.5993	3.373	31	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:3:2:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:O[5]-2: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]P[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]P[5])(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]P[5]C)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]P[5])(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,1|P<4>,2|C<3>,3|H<1>}	112.7260	0.892	3	112.7260	0.795	3	115.1829	3.450	16	114.5993	3.373	31	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:3:2:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:O[5]-2: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]S[5]H)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]S[5])(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]S[5]H)(H){2|H<1>,2|O<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]S[5])(H){2|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,1|S<4>,2|C<3>,4|H<1>}	114.5560	0.000	1	114.5560	0.000	1	115.1829	3.450	16	114.5993	3.373	31	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:3:2:1:	4:3:3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){2|H<1>,7|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(H){2|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,3|H<1>,4|C<3>}	111.3540	0.000	1	111.3540	0.000	1	111.3540	0.000	1	114.5993	3.373	31	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:3:2:1:	4:3:3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]O[5]H)(N[5]C[3,5]C[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5]H)(N[5]C[3,5]C[5])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	114.2210	0.000	1	114.2210	0.000	1	114.0249	3.580	7	114.5993	3.373	31	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:3:2:1:	4:3:3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]O[5]H)(N[5]C[4]C[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5]H)(N[5]C[4]C[5])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	116.2740	0.000	1	116.2740	0.000	1	114.0249	3.580	7	114.5993	3.373	31	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:3:2:1:	4:3:3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C[6])(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	113.9927	1.638	3	113.9927	2.683	3	114.0249	3.580	7	114.5993	3.373	31	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:3:2:1:	4:3:3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]O[5]H)(N[5]C[5a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5]H)(N[5]C[5a]C[5])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,3|H<1>,4|C<3>}	114.8820	0.000	1	114.8820	0.000	1	114.0249	3.580	7	114.5993	3.373	31	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:3:2:1:	4:3:3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]O[5]H)(N[5]C[6a]Si[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]Si[5])(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5]H)(N[5]C[6a]Si[5])(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,6|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]Si[5])(H){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Si<4>,1|O<2>,3|C<3>,3|H<1>}	110.8190	0.000	1	110.8190	0.000	1	114.0249	3.580	7	114.5993	3.373	31	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:3:2:3:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:N[5]-2:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(COO)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H){3|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(COO){1|S<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,1|S<4>,2|H<1>,4|C<3>}	115.9480	0.000	1	115.9480	0.000	1	115.9480	0.000	1	115.9480	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:3:2:4:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:N[5]-2:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(CF3)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H){3|H<1>,4|C<3>}	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[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|S<4>,2|H<1>,3|C<3>}	115.8650	0.000	1	115.8650	0.000	1	115.8650	0.000	1	117.6385	6.291	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:3:2:4:	4:3:3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[5]-2:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]N[5]C)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(CHHO)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]C)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){2|H<1>,7|C<3>}	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[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,4|C<3>}	119.4120	0.000	1	119.4120	0.000	1	119.4120	0.000	1	117.6385	6.291	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:3:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-3: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]N[5]O)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O)(H){1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O)(H){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	114.2717	0.131	3	114.4445	0.131	4	114.4445	0.131	4	114.4445	0.131	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:3:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-3: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]N[5]O)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O)(H){1|O<1>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O)(H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	114.9630	0.000	1	114.4445	0.131	4	114.4445	0.131	4	114.4445	0.131	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:3:3:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:N[5]-3: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[5,5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5,5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5,5]C)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5,5]C)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	111.7565	0.265	2	111.7565	0.070	2	113.6579	2.067	53	113.8917	2.991	95	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:3:3:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:N[5]-3: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]C)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	113.8650	1.341	6	114.4605	1.681	16	113.6579	2.067	53	113.8917	2.991	95	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:3:3:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:N[5]-3: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]C)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	113.3350	0.529	2	114.4605	1.681	16	113.6579	2.067	53	113.8917	2.991	95	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:3:3:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:N[5]-3: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]C)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	114.8230	0.008	2	114.4605	1.681	16	113.6579	2.067	53	113.8917	2.991	95	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:3:3:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:N[5]-3: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]C)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,3|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	114.2340	0.396	2	114.4605	1.681	16	113.6579	2.067	53	113.8917	2.991	95	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:3:3:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:N[5]-3: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]C)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){2|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	115.8485	1.009	4	114.4605	1.681	16	113.6579	2.067	53	113.8917	2.991	95	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:3:3:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:N[5]-3: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]C)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]Ru)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|Ru<9>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]Ru)(H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	113.8900	0.000	1	113.8900	0.000	1	113.6579	2.067	53	113.8917	2.991	95	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:3:3:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:N[5]-3: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]H)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	113.2498	1.494	4	113.6927	2.001	12	113.6579	2.067	53	113.8917	2.991	95	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:3:3:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:N[5]-3: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]H)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|O<1>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	114.8035	1.254	4	113.6927	2.001	12	113.6579	2.067	53	113.8917	2.991	95	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:3:3:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:N[5]-3: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]H)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){3|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){3|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	113.0247	1.015	4	113.6927	2.001	12	113.6579	2.067	53	113.8917	2.991	95	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:3:3:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:N[5]-3: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]H)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]Ir)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|Ir<8>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]Ir)(H){3|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	112.9830	0.000	2	112.9830	0.000	2	113.6579	2.067	53	113.8917	2.991	95	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:3:3:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:N[5]-3: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]H)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]Ru)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|Ru<9>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]Ru)(H){3|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	113.7280	0.000	1	113.7280	0.000	1	113.6579	2.067	53	113.8917	2.991	95	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:3:3:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:N[5]-3: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]Ir)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]Ir)(H){3|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|Ir<8>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Ir<8>,1|N<3>,3|C<3>,3|H<1>}	112.7500	0.000	2	112.7500	0.000	2	113.6579	2.067	53	113.8917	2.991	95	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:3:3:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:N[5]-3: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]Pd)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]Pd)(H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|Pd<4>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Pd<4>,1|N<3>,3|C<3>,3|H<1>}	112.4414	0.934	5	112.8087	1.235	7	113.6579	2.067	53	113.8917	2.991	95	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:3:3:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:N[5]-3: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]Pd)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]Pd)(H){1|S<4>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|Pd<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Pd<4>,1|N<3>,3|C<3>,3|H<1>}	113.7270	1.247	2	112.8087	1.235	7	113.6579	2.067	53	113.8917	2.991	95	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:3:3:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:N[5]-3: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]Ru)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]Ru)(H){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|Ru<9>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Ru<9>,1|N<3>,3|C<3>,3|H<1>}	113.1090	0.000	1	113.1090	0.000	1	113.6579	2.067	53	113.8917	2.991	95	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:3:3:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:N[5]-3: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]Ru)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]Ru)(H){3|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|Ru<9>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Ru<9>,1|N<3>,3|C<3>,3|H<1>}	111.9650	0.000	1	111.9650	0.000	1	113.6579	2.067	53	113.8917	2.991	95	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:3:3:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:N[5]-3: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]S)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]Pd)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|Pd<4>,1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]Pd)(H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,1|S<4>,3|C<3>,3|H<1>}	113.6998	1.930	6	113.8569	3.439	8	113.6579	2.067	53	113.8917	2.991	95	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:3:3:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:N[5]-3: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]S)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]Pd)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|Pd<4>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]Pd)(H){1|S<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,1|S<4>,3|C<3>,3|H<1>}	114.3280	2.203	2	113.8569	3.439	8	113.6579	2.067	53	113.8917	2.991	95	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:3:3:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:C[6a]-3: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]Pd)(H)	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]Pd)(H){2|H<1>,6|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|Pd<4>,2|H<1>,7|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Pd<4>,1|N<3>,3|C<3>,3|H<1>}	114.0473	1.805	4	114.0473	3.257	4	112.8590	4.944	8	113.8917	2.991	95	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:3:3:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:C[6a]-3: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]Pt)(H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C[6])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]Pt)(H){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C[6])(C[6a]C[6a]2)(H){1|Pt<4>,2|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Pt<4>,1|N<3>,3|C<3>,3|H<1>}	111.6707	2.125	4	111.6707	4.514	4	112.8590	4.944	8	113.8917	2.991	95	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:3:3:1:	4:3:3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C[6])(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]Pt)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C[6])(C[6a]C[6a]2)(H){1|Pt<4>,2|C<4>,3|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]Pt)(H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	113.7452	0.858	4	113.7452	0.736	4	113.4850	2.293	8	113.8917	2.991	95	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:3:3:1:	4:3:3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]Pd)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|Pd<4>,2|H<1>,7|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]Pd)(H){2|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	113.2248	2.106	4	113.2248	4.434	4	113.4850	2.293	8	113.8917	2.991	95	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:3:3:1:	4:3:3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C[6])(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C[6])(C[6a]C[6a]2)(H){1|Rh<6>,2|C<4>,3|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|Rh<6>,1|C<4>,2|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	115.2470	0.000	1	115.2470	0.000	1	114.8111	3.533	26	113.8917	2.991	95	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:3:3:1:	4:3:3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]N[5]H)(N[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(N[5]C[5]N[5])(C[6a]C[6a]2)(H){1|Rh<6>,1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[5]N[5])(C[6a]C[6a]2)(H){1|Rh<6>,1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|N<3>,3|C<3>,3|H<1>}	113.9295	1.498	2	113.9295	2.245	2	114.8111	3.533	26	113.8917	2.991	95	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:3:3:1:	4:3:3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]B[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]B[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]B[5])(C[6a]C[6a]2)(H){1|Si<4>,1|N<2>,2|H<1>,6|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]B[5])(C[6a]C[6a]2)(H){1|Si<4>,2|H<1>,7|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|B<3>,1|N<3>,3|C<3>,3|H<1>}	111.6320	0.000	1	114.0305	11.506	2	114.8111	3.533	26	113.8917	2.991	95	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:3:3:1:	4:3:3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]B[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]B[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]B[5])(C[6a]C[6a]2)(H){1|Si<4>,2|H<1>,7|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]B[5])(C[6a]C[6a]2)(H){1|Si<4>,1|N<2>,2|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|B<3>,1|N<3>,3|C<3>,3|H<1>}	116.4290	0.000	1	114.0305	11.506	2	114.8111	3.533	26	113.8917	2.991	95	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:3:3:1:	4:3:3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C[6])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|Rh<6>,1|C<4>,2|H<1>,6|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C[6])(C[6a]C[6a]2)(H){1|Rh<6>,2|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	116.2540	0.000	1	116.2540	0.000	1	114.8111	3.533	26	113.8917	2.991	95	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:3:3:1:	4:3:3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|Pd<4>,2|H<1>,7|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|Pd<4>,2|H<1>,7|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	115.3752	1.602	4	114.8834	3.653	20	114.8111	3.533	26	113.8917	2.991	95	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:3:3:1:	4:3:3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|Pd<5>,2|H<1>,7|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|Pd<5>,2|H<1>,7|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	114.8833	2.415	4	114.8834	3.653	20	114.8111	3.533	26	113.8917	2.991	95	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:3:3:1:	4:3:3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|Rh<6>,2|H<1>,7|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|Rh<6>,2|H<1>,7|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	113.7773	1.964	6	114.8834	3.653	20	114.8111	3.533	26	113.8917	2.991	95	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:3:3:1:	4:3:3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	115.6617	1.612	6	114.8834	3.653	20	114.8111	3.533	26	113.8917	2.991	95	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:3:3:2:	3:3:4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]C[5]O)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C[6])(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]C[5]O)(H){1|Si<4>,1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C[6])(C[6a]C[6a]2)(OC){1|Cr<9>,1|Si<4>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	118.0950	0.000	1	118.0950	0.000	1	118.0950	0.000	1	118.0950	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:3:3:2:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)(N[5]C[5]Ni)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)2(O[5]C[5])	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)(N[5]C[5]Ni)(H){1|C<4>,2|H<1>,6|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)2(O[5]C[5]){1|Ni<4>,1|C<4>,4|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Ni<4>,1|O<2>,2|H<1>,4|C<3>}	115.5700	1.171	2	115.5700	1.371	2	115.5700	1.371	2	115.3432	0.526	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:3:3:2:	4:3:3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:S[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]2S[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)2(S[5]C[5])	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]2S[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){10|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)2(S[5]C[5]){4|H<1>,9|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|S<2>,2|H<1>,4|C<3>}	115.1165	0.019	2	115.1165	0.000	2	115.1165	0.000	2	115.3432	0.526	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:3:3:3:	3:3:4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:N[5]-3:C-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(COO)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(C[5]C[5]2)(H){1|N<2>,4|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(COO){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,2|H<1>,5|C<3>}	113.1140	0.000	1	113.1140	0.000	1	113.1140	0.000	1	113.1140	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:3:3:3:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(CCH)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]C)(H){2|H<1>,6|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(CCH){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	115.8510	0.000	1	115.8510	0.000	1	115.8510	0.000	1	116.3340	0.441	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:3:3:3:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:N[5]-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(COO)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(N[5]C[5]C)(H){3|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(COO){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	116.5755	0.729	2	116.5755	0.531	2	116.5755	0.531	2	116.3340	0.441	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:3:4:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]N[5])(C[5]C[6a]C[5]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)(H){1|N<2>,2|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]N[5])(C[5]C[6a]C[5]H)(H){1|H<1>,1|N<3>,1|O<1>,1|S<4>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,3|C<3>,4|H<1>}	114.2440	0.000	1	114.2440	0.000	1	114.2440	0.000	1	113.5642	2.893	9	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:3:4:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a,6a]C[6a])(C[5]C[6a]C[5]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(C[5]C[5]H)(H){2|H<1>,7|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a,6a]C[6a])(C[5]C[6a]C[5]H)(H){1|C<2>,1|H<1>,1|N<3>,1|O<1>,8|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,3|C<3>,4|H<1>}	112.7590	2.182	2	112.7590	4.762	2	112.7590	4.762	2	113.5642	2.893	9	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:3:4:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-4: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]C)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,3|H<1>,4|C<3>}	111.4040	0.000	2	111.4040	0.000	2	113.7193	3.295	6	113.5642	2.893	9	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:3:4:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-4: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]C)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){4|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,3|H<1>,4|C<3>}	114.5250	0.000	1	114.5250	0.000	1	113.7193	3.295	6	113.5642	2.893	9	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:3:4:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-4: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]H)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)(H){1|O<2>,3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){1|C<4>,3|C<3>,4|H<1>}	114.8030	0.000	1	114.8030	0.000	1	113.7193	3.295	6	113.5642	2.893	9	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:3:4:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-4: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]H)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)(H){4|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,3|C<3>,4|H<1>}	114.7960	0.000	1	114.7960	0.000	1	113.7193	3.295	6	113.5642	2.893	9	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:3:4:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-4: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]O[5]O)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]O)(H){4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	115.3840	0.000	1	115.3840	0.000	1	113.7193	3.295	6	113.5642	2.893	9	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:3:4:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|O<1>,4|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	113.9080	0.000	1	113.9080	0.000	1	113.9080	0.000	1	114.6912	1.497	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:3:4:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:N[5]-4: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]H)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]HH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){5|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]HH)(H){4|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<4>,2|C<3>,4|H<1>}	113.3920	0.000	1	113.3920	0.000	1	113.3920	0.000	1	114.6912	1.497	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:3:4:1:	4:3:3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|C<4>,1|F<1>,2|H<1>,6|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]O[5]CH)(H){2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	115.8360	0.000	1	115.8360	0.000	1	115.7325	0.021	2	114.6912	1.497	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:3:4:1:	4:3:3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,6|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]O[5]CH)(H){2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	115.6290	0.000	1	115.6290	0.000	1	115.7325	0.021	2	114.6912	1.497	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:3:4:2:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:C-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(CN)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,4|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(CN){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<2>,2|C<3>,2|C<4>,3|H<1>}	115.8780	0.000	1	115.8780	0.000	1	115.6636	0.211	9	115.3379	0.725	11	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:3:4:2:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:C-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]N)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(CN)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]N)(H){1|C<4>,4|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(CN){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<2>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	115.6368	0.483	8	115.6368	0.234	8	115.6636	0.211	9	115.3379	0.725	11	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:3:4:2:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(OH)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|O<1>,4|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(OH){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	113.4780	0.000	1	113.4780	0.000	1	113.8725	0.311	2	115.3379	0.725	11	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:3:4:2:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(OH)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|O<1>,4|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(OH){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	114.2670	0.000	1	114.2670	0.000	1	113.8725	0.311	2	115.3379	0.725	11	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:3:4:3:	3:3:4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:C-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]O[5]O)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]CH)(COO)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]O[5]O)(H){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]CH)(COO){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	120.8220	0.000	1	120.8220	0.000	1	120.8220	0.000	1	120.8220	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:3:4:3:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(CNO)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|O<1>,4|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(CNO){1|C<4>,1|F<1>,1|H<1>,1|O<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	113.6900	1.776	2	113.6900	3.155	2	114.6918	6.063	5	114.6918	6.063	5	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:3:4:3:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(COO)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|O<1>,4|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(COO){1|C<4>,1|F<1>,1|H<1>,1|O<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	114.8970	0.000	1	114.8970	0.000	1	114.6918	6.063	5	114.6918	6.063	5	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:3:4:3:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(COO)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]H)(H){4|H<1>,6|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(COO){1|N<3>,2|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	118.5430	0.000	1	115.5910	17.429	2	114.6918	6.063	5	114.6918	6.063	5	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:3:4:3:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(COO)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]H)(H){4|H<1>,6|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(COO){3|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	112.6390	0.000	1	115.5910	17.429	2	114.6918	6.063	5	114.6918	6.063	5	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:3:4:4:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(CH3)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]H)(H){5|C<3>,5|H<1>}	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[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	116.0777	0.445	3	116.0777	0.198	3	116.0777	0.198	3	116.0777	0.198	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:4:1:1:	3:3:4:	C[5]-4:C[5]-3:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[6a]C[5]H)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(C[6a]C[6a]2)(H){1|N<3>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[6a]C[5]H)(H)2{1|H<1>,1|S<4>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,2|C<3>,5|H<1>}	112.9820	0.000	1	112.9820	0.000	1	112.9820	0.000	1	112.9820	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:4:1:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5]C)(H)	C[5](C[5,5]C[5,5]2C[6a])(C[5]C[6a]N[5]H)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]2C[6a])(C[5]C[6a]N[5]H)(H)2{1|H<1>,1|O<2>,3|C<4>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,4|H<1>}	114.4186	1.420	5	114.4186	2.016	5	114.8663	1.349	10	113.9508	3.001	20	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:4:1:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5]H)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5]H)(H)2{1|C<4>,1|S<2>,3|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|C<4>,5|H<1>}	115.6490	0.000	1	115.6490	0.000	1	114.8663	1.349	10	113.9508	3.001	20	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:4:1:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[6a]N[5]H)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|O<2>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[6a]N[5]H)(H)2{1|C<4>,1|S<4>,6|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,4|H<1>}	115.4800	1.298	2	115.4800	1.685	2	114.8663	1.349	10	113.9508	3.001	20	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:4:1:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[5](C[5,5]C[5]2N[5])(C[5]C[6a]N[5]H)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5]2N[5])(C[5]C[6a]N[5]H)(H)2{2|C<4>,2|H<1>,2|S<4>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<3>,1|S<4>,2|C<4>,3|H<1>}	114.9760	0.000	1	114.9805	0.000	2	114.8663	1.349	10	113.9508	3.001	20	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:4:1:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[5](C[5,5]C[5]2N[5])(C[5]C[6a]N[5]H)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5]2N[5])(C[5]C[6a]N[5]H)(H)2{2|C<4>,2|H<1>,2|S<4>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,4|H<1>}	114.9850	0.000	1	114.9805	0.000	2	114.8663	1.349	10	113.9508	3.001	20	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:4:1:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:I-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5]HI)(C[6a]C[6a]2)(N[5]C[5,5]C)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5]H)(H)(I)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]HI)(C[6a]C[6a]2)(N[5]C[5,5]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5]H)(H)(I){2|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|I<1>,2|C<3>,2|C<4>,3|H<1>}	112.5040	0.000	1	112.5040	0.000	1	112.5040	0.000	1	113.9508	3.001	20	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:4:1:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,6]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5]H)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,6]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5]H)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,4|H<1>}	114.8700	0.158	2	114.0177	1.096	4	113.7953	2.866	6	113.9508	3.001	20	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:4:1:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,6]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5]H)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,6]C)(H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5]H)(H)2{1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	113.1655	0.598	2	114.0177	1.096	4	113.7953	2.866	6	113.9508	3.001	20	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:4:1:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,6]S)(H)	C[5](C[5,6]C[5,6]2H)(C[5]C[6a]N[5]H)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,6]S)(H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]2H)(C[5]C[6a]N[5]H)(H)2{1|C<4>,1|N<3>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,4|H<1>}	111.0650	0.000	1	111.0650	0.000	1	113.7953	2.866	6	113.9508	3.001	20	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:4:1:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,6]S)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5]H)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,6]S)(H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5]H)(H)2{1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,4|H<1>}	115.6360	0.000	1	115.6360	0.000	1	113.7953	2.866	6	113.9508	3.001	20	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:4:1:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:H-1:O-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6]HO)(C[6a]C[6a]2)(N[5]C[5,6]C)(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[6a]N[5]H)(H)(O)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6]HO)(C[6a]C[6a]2)(N[5]C[5,6]C)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[6a]N[5]H)(H)(O){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<1>,3|C<4>,3|H<1>}	113.4270	0.000	1	113.4270	0.000	1	113.4270	0.000	1	113.9508	3.001	20	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:4:1:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5]BrH)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(Br)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5]BrH)(C[6a]C[6a]2)(N[5]C[5]S)(H){2|C<3>,6|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(Br)(H){1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<3>,1|S<4>,2|C<4>,3|H<1>}	110.5930	0.000	1	110.5930	0.000	1	110.8250	0.108	2	113.9508	3.001	20	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:4:1:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5]BrH)(C[6a]C[6a]2)(N[5]O[5]S)(H)	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HH)(Br)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5]BrH)(C[6a]C[6a]2)(N[5]O[5]S)(H){2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HH)(Br)(H){1|S<4>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<3>,1|C<4>,1|O<2>,1|S<4>,3|H<1>}	111.0570	0.000	1	111.0570	0.000	1	110.8250	0.108	2	113.9508	3.001	20	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:4:2:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[4,5]-4:C[5]-4:C-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[4,5]CH)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5](C[4,5]C[4]2C[5])(C[5]C[6a]N[5]H)(CN)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[4,5]CH)(C[6a]C[6a]2)(N[5]C[5]H)(H){2|C<4>,3|C<3>,3|H<1>}	C[5](C[4,5]C[4]2C[5])(C[5]C[6a]N[5]H)(CN)(H){1|N<3>,3|C<3>,6|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<2>,1|C<3>,2|C<4>,4|H<1>}	115.3690	1.713	2	115.3690	2.933	2	115.3690	2.933	2	115.7700	5.319	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:4:2:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C-2:Cl-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5]ClC)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CN)(Cl)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5]ClC)(C[6a]C[6a]2)(N[5]C[5]C)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CN)(Cl){1|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<2>,2|C<3>,2|C<4>,2|H<1>}	113.6830	0.000	1	113.6830	0.000	1	113.6830	0.000	1	115.7700	5.319	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:4:2:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5]O[5]H)(C[6a]C[6a]2)(N[5]S[5]H)(H)	C[5](C[5]C[5,6a]C[5]C)(C[5]C[6a]N[5]H)(O[5]S[5])(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5]O[5]H)(C[6a]C[6a]2)(N[5]S[5]H)(H){2|H<1>,2|O<1>,5|C<3>}	C[5](C[5]C[5,6a]C[5]C)(C[5]C[6a]N[5]H)(O[5]S[5])(H){1|H<1>,1|N<3>,3|O<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,1|S<4>,4|H<1>}	118.6590	0.000	1	118.6590	0.000	1	118.6590	0.000	1	115.7700	5.319	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:4:2:2:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C-2:C-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]N[5]H)(CN)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(N[5]C[5]C)(H){4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]N[5]H)(CN)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<2>,2|H<1>,3|C<4>}	114.4485	1.518	4	114.4485	2.305	4	114.4485	2.305	4	114.4485	2.305	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:4:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[3,5]-4:C[5]-4:N-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[3,5]HN)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[5](C[3,5]C[3]2C[5])(C[5]C[6a]C[5]H)(NCN)(H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5]C[3,5]HN)(C[6a]C[6a]2)(C[5]C[5]H)(H){2|C<3>,2|H<1>,3|C<4>}	C[5](C[3,5]C[3]2C[5])(C[5]C[6a]C[5]H)(NCN)(H){2|C<3>,6|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]2H){1|Br<1>,1|N<3>,2|C<3>,3|C<4>,4|H<1>}	111.1660	0.000	1	111.1660	0.000	1	111.1660	0.000	1	114.3423	12.763	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:4:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(COO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]C[5]C)(H){3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(COO)(H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,3|H<1>,4|C<3>}	113.6510	0.000	1	113.6510	0.000	1	113.6510	0.000	1	114.3423	12.763	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:4:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-4:C[6a]-3: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]O[5]O)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]O)(H){3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	118.2100	0.000	1	118.2100	0.000	1	118.2100	0.000	1	114.3423	12.763	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:4:3:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[3x5]H)(H)	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[3x5]H)(H){2|C<4>,2|H<1>,6|C<3>}	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,5|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	113.8822	0.631	4	113.3272	1.839	5	113.3272	1.839	5	112.9954	4.115	25	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:4:3:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[3x5]H)(H)	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[3x5]H)(H){2|C<4>,2|H<1>,6|C<3>}	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,4|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	111.1070	0.000	1	113.3272	1.839	5	113.3272	1.839	5	112.9954	4.115	25	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:4:3:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]N[5]H)(CCO)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){2|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]N[5]H)(CCO)(H){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	112.7350	0.000	1	112.7350	0.000	1	112.7350	0.000	1	112.9954	4.115	25	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:4:3:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	C[5](C[5,5]C[5,5]C[5]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){1|C<4>,2|H<1>,7|C<3>}	C[5](C[5,5]C[5,5]C[5]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|O<1>,5|H<1>,8|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	112.8730	0.000	1	112.8730	0.000	1	112.8730	0.000	1	112.9954	4.115	25	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:4:3:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(N[5]N[5,6]C)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[6a]N[5]H)(CC[5a]O)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(N[5]N[5,6]C)(H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[6a]N[5]H)(CC[5a]O)(H){1|C<4>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	115.9160	0.000	1	115.9160	0.000	1	115.9160	0.000	1	112.9954	4.115	25	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:4:3:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	C[5](C[5,6]C[5,5]C[6]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){1|C<4>,2|H<1>,7|C<3>}	C[5](C[5,6]C[5,5]C[6]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,5|H<1>,7|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	113.5077	0.847	3	113.5077	0.718	3	112.1368	7.996	4	112.9954	4.115	25	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:4:3:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,6]H)(H){4|H<1>,6|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|O<1>,2|N<3>,3|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	108.0240	0.000	1	108.0240	0.000	1	112.1368	7.996	4	112.9954	4.115	25	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:4:3:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){3|H<1>,7|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){3|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	113.8815	3.085	2	113.8815	9.518	2	113.8815	9.518	2	112.9954	4.115	25	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:4:3:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]N[5]H)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]N[5]H)(N[5]C[5]C)(H){1|N<3>,2|C<4>,2|O<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	113.6390	0.000	1	113.6390	0.000	1	113.3770	0.137	2	112.9954	4.115	25	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:4:3:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]2Fe)(N[5]C[5]C)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|Fe<10>,2|C<3>,3|H<1>,4|C<4>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]2Fe)(N[5]C[5]C)(H){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<4>,4|H<1>}	113.1150	0.000	1	113.1150	0.000	1	113.3770	0.137	2	112.9954	4.115	25	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:4:3:1:	4:3:3:	C[5]-4:N[5,5]-3:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,5]C[5]2)(C[5]N[5,5]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,7|C<3>}	C[5](C[5,5]C[5,5]C[5]2)(C[5]N[5,5]C[6a]H)(C[6a]C[6a]2)(H){1|C<4>,2|O<1>,3|H<1>,7|C<3>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	113.6905	2.244	2	113.6905	5.034	2	114.3515	3.149	4	112.9954	4.115	25	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:4:3:1:	4:3:3:	C[5]-4:N[5,5]-3:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5,5]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,7|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5,5]C[6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	115.0125	1.633	2	115.0125	2.666	2	114.3515	3.149	4	112.9954	4.115	25	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:4:3:1:	4:3:3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5]C[6])(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5]C[6])(C[6a]C[6a]2)(H){3|C<4>,4|H<1>,6|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	109.5540	0.380	2	110.1720	1.218	3	110.9840	3.449	4	112.9954	4.115	25	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:4:3:1:	4:3:3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5]C[6])(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5]C[6])(C[6a]C[6a]2)(H){3|C<4>,4|H<1>,6|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,5|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	111.4080	0.000	1	110.1720	1.218	3	110.9840	3.449	4	112.9954	4.115	25	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:4:3:1:	4:3:3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6]C[6a]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	C[5](C[5,6]C[6]O[5]S[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6]C[6a]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|S<2>,2|H<1>,7|C<3>}	C[5](C[5,6]C[6]O[5]S[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	113.4200	0.000	1	113.4200	0.000	1	110.9840	3.449	4	112.9954	4.115	25	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:4:3:1:	4:3:3:	C[5]-4:P[5]-3:C[6a]-3:H-1:	C[5]-4:P[5]-4:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5]P[5]H)(P[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]P[5]H)(P[5]C[6a]C[5]2)(C[5]C[5]H)(H)	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5]P[5]H)(P[5]C[6a]C[5])(C[6a]C[6a]2)(H){3|H<1>,8|C<3>}	C[5](C[5]C[6a]P[5]H)(P[5]C[6a]C[5]2)(C[5]C[5]H)(H){10|C<3>}	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2{1|P<4>,3|H<1>,4|C<3>}	112.3180	0.000	1	112.3180	0.000	1	112.3180	0.000	1	112.9954	4.115	25	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:4:3:2:	3:3:4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C-3:C-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(CCO)(CN)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]C[5]H)(H){1|C<2>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(CCO)(CN){1|C<2>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	114.6180	0.000	1	114.6180	0.000	1	114.6180	0.000	1	114.6180	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:4:3:3:	3:3:4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-4:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]O[5]O)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]O[5]O)(H){3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(COO){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	119.3690	0.000	1	119.3690	0.000	1	119.3690	0.000	1	119.3690	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:4:3:4:	3:3:4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:N[6]-4:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5]N[6]C)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(N[6]C[6]2H)(C[5]C[5]O)(CH3)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5]N[6]C)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(N[6]C[6]2H)(C[5]C[5]O)(CH3){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<4>,2|C<4>,2|H<1>,3|C<3>}	114.6660	0.000	1	114.6660	0.000	1	114.6660	0.000	1	114.6660	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:4:4:1:	3:3:4:	C[5]-4:C[5]-3:C[6a]-3:H-1:	C[4,5]-4:C[5]-4:S-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[4,5]HS)(C[5]C[4,5]C)(C[6a]C[6a]2)(H)	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[6a]C[5]H)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[4,5]HS)(C[5]C[4,5]C)(C[6a]C[6a]2)(H){2|C<3>,2|C<4>,3|H<1>}	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[6a]C[5]H)(SC[6a]OO)(H){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	114.2930	0.000	1	114.2930	0.000	1	114.2930	0.000	1	114.6415	0.243	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:4:4:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]N[5]H)(C[5]C[6a]C[5]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)(H){1|N<3>,3|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]N[5]H)(C[5]C[6a]C[5]H)(H){1|N<3>,1|O<1>,1|S<4>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<3>,2|C<4>,4|H<1>}	114.9900	0.000	1	114.9900	0.000	1	114.9900	0.000	1	114.6415	0.243	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:4:4:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:Si-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5]SiH)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(SiC[6a]CC)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5]SiH)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(SiC[6a]CC)(H){1|C<4>,1|O<1>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Si<4>,2|C<3>,2|C<4>,3|H<1>}	112.7900	0.000	2	112.7900	0.000	2	112.7900	0.000	2	112.7900	0.000	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:4:4:3:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C-4:N-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6]CN)(C[6a]C[6a]2)(N[5]N[5,6]S)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[6a]N[5]H)(CH3)(NOO)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6]CN)(C[6a]C[6a]2)(N[5]N[5,6]S)(H){3|H<1>,4|C<3>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[6a]N[5]H)(CH3)(NOO){1|S<4>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,2|H<1>,2|N<3>}	115.7570	1.680	2	115.7570	2.823	2	115.7570	2.823	2	115.7570	2.823	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:1:	4:4:4:4:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C-4:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(N[5]O[5]C)(H)	C[5](C[5,5]N[5]O[5]2)(C[5]C[6a]N[5]H)(CH3)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(N[5]O[5]C)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,5]N[5]O[5]2)(C[5]C[6a]N[5]H)(CH3)2{1|H<1>,2|C<3>,3|C<4>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	114.6110	0.000	1	114.6110	0.000	1	114.6110	0.000	1	114.6110	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:2:	3:4:1:1:	3:3:4:	C[5]-4:C[5]-3:C[6a]-3:O-2:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5a]HH)(C[5]C[5,5a]N)(C[6a]C[6a]2)(OH)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]O)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[5]C[5,5a]HH)(C[5]C[5,5a]N)(C[6a]C[6a]2)(OH){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]O)(H)2{1|C<4>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|N<2>,3|C<3>,4|H<1>}	114.2800	0.000	1	114.2800	0.000	1	114.2800	0.000	1	114.2800	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:2:	3:4:1:1:	4:3:3:	C[5]-4:N[5]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:F-1:F-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6a]FF)(N[5]C[5,6a]C)(C[6a]C[6a]2)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]O)(F)2	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]FF)(N[5]C[5,6a]C)(C[6a]C[6a]2)(OH){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]O)(F)2{1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2{1|C<4>,2|F<1>,2|H<1>,3|C<3>}	110.9420	0.000	1	110.9420	0.000	1	110.9420	0.000	1	110.9420	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:2:	3:4:3:1:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6a]HN)(C[6a]C[6a]2)2(O[5]C[5,6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2O[5])(NCH)(H)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]HN)(C[6a]C[6a]2)2(O[5]C[5,6a]){4|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2O[5])(NCH)(H){1|Cl<1>,6|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|N<3>,3|H<1>,5|C<3>}	112.0320	4.052	4	112.0320	16.415	4	112.0320	16.415	4	112.0320	16.415	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:2:	3:4:4:1:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)2(O[5]C[5,6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2O[5])(CCHH)(H)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)2(O[5]C[5,6a]){2|C<4>,2|H<1>,6|C<3>}	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[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	112.9005	2.476	2	113.0110	4.211	4	113.0110	4.211	4	113.0110	4.211	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:2:	3:4:4:1:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)2(O[5]C[5,6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2O[5])(CCHH)(H)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)2(O[5]C[5,6a]){2|H<1>,8|C<3>}	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[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	113.1215	2.541	2	113.0110	4.211	4	113.0110	4.211	4	113.0110	4.211	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:2:	3:4:4:4:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6a]CC)(C[6a]C[6a]2)2(O[5]C[5,6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2O[5])(CCHH)(CH3)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]CC)(C[6a]C[6a]2)2(O[5]C[5,6a]){4|H<1>,6|C<3>}	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[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,5|C<3>}	114.9280	4.381	2	114.9280	19.195	2	114.9280	19.195	2	114.9280	19.195	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:2:	4:3:2:4:	4:3:3:	C[5]-4:N[5]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:O[5]-2:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]O[5]C)(N[5]C[6a]C[5])(C[6a]C[6a]2)(OH)	C[5](C[5]C[6a]N[5]O)(C[6a]C[6a]2)(O[5]C[5])(CCCH)	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5]C)(N[5]C[6a]C[5])(C[6a]C[6a]2)(OH){1|O<1>,2|H<1>,6|C<3>}	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[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	114.3030	0.000	1	114.3030	0.000	1	114.3030	0.000	1	114.3030	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:2:	4:3:3:1:	3:3:4:	C[5]-4:C[5]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C[6])(C[6a]C[6a]2)(OC)	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]C[5]O)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C[6])(C[6a]C[6a]2)(OC){1|Cr<9>,1|Si<4>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]C[5]O)(H){1|Si<4>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|C<4>,3|H<1>,4|C<3>}	111.5010	0.000	1	111.5010	0.000	1	111.5010	0.000	1	111.5010	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:2:	4:3:3:1:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:N[5]-3: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)2(O[5]C[5])	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)(N[5]C[5]Ni)(H)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)2(O[5]C[5]){1|Ni<4>,1|C<4>,4|H<1>,6|C<3>}	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)(N[5]C[5]Ni)(H){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|N<3>,3|H<1>,5|C<3>}	114.2477	2.969	4	114.2477	8.815	4	114.2477	8.815	4	113.5597	4.394	8	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:2:	4:3:3:1:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:S[5]-2:	C[5]-4:N[5]-3:C[6a]-3: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)2(S[5]C[5])	C[5](C[5]C[6a]2S[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[6a]C[5]S[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)2(S[5]C[5]){4|H<1>,9|C<3>}	C[5](C[5]C[6a]2S[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){10|C<3>,2|H<1>}	C[6a](C[5]C[6a]C[5]S[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	112.8717	0.419	4	112.8717	0.175	4	112.8717	0.175	4	113.5597	4.394	8	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:2:	4:3:3:2:	3:3:4:	C[5]-4:C[5]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[5]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)(OH)	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]C[5]O)(OH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)(OH){1|O<1>,2|H<1>,7|C<3>}	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]C[5]O)(OH){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|O<2>,2|H<1>,5|C<3>}	110.3000	0.000	1	110.3000	0.000	1	110.3000	0.000	1	111.8855	5.028	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:2:	4:3:3:2:	3:3:4:	C[5]-4:C[6a]-3:C[5]-3:O-2:	C[5]-4:C[5]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]C[5]O)(OH)	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]C[5]O)(OH){2|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)(OH){1|O<1>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	113.4710	0.000	1	113.4710	0.000	1	113.4710	0.000	1	111.8855	5.028	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:2:	4:3:3:2:	4:3:3:	C[5]-4:C[6a]-3:C[5]-3:N[5]-2:	C[5]-4:C[6a]-3:C[5]-3:N[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]C[5]N[5])(C[6a]C[6a]2)(C[5]O[5]O)(N[5]C[5])	C[5](C[5]C[6a]C[5]N[5])(C[6a]C[6a]2)(C[5]O[5]O)(N[5]C[5])	C[6a](C[5]C[5]2N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]N[5])(C[6a]C[6a]2)(C[5]O[5]O)(N[5]C[5]){1|O<1>,1|O<2>,2|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5]N[5])(C[6a]C[6a]2)(C[5]O[5]O)(N[5]C[5]){1|O<1>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[5]C[5]2N[5])(C[6a]C[6a]H)2{1|N<2>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	110.5245	0.006	2	110.5245	0.000	2	110.5245	0.000	2	114.0053	8.220	21	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:2:	4:3:3:2:	4:3:3:	C[5]-4:C[6a]-3:C[5]-3:S[5]-2:	C[5]-4:C[6a]-3:C[5]-3:S[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]C[5]S[5])(C[6a]C[6a]2)(C[5]C[5]H)(S[5]C[5])	C[5](C[5]C[6a]C[5]S[5])(C[6a]C[6a]2)(C[5]C[5]H)(S[5]C[5])	C[6a](C[5]C[5]2S[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]S[5])(C[6a]C[6a]2)(C[5]C[5]H)(S[5]C[5]){1|O<1>,3|H<1>,7|C<3>}	C[5](C[5]C[6a]C[5]S[5])(C[6a]C[6a]2)(C[5]C[5]H)(S[5]C[5]){1|O<1>,3|H<1>,7|C<3>}	C[6a](C[5]C[5]2S[5])(C[6a]C[6a]H)2{1|S<2>,3|H<1>,5|C<3>}	113.1760	0.561	2	113.1760	0.315	2	113.1760	0.315	2	114.0053	8.220	21	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:2:	4:3:3:2:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)2(O[5]B[5])	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)2(O[5]B[5])	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)2(O[5]B[5]){1|C<4>,4|H<1>,8|C<3>}	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)2(O[5]B[5]){1|C<4>,4|H<1>,8|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|B<3>,1|O<2>,2|H<1>,5|C<3>}	115.0203	2.776	4	115.0203	7.705	4	114.6281	8.698	16	114.0053	8.220	21	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:2:	4:3:3:2:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)2(O[5]P[5])	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)2(O[5]P[5])	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)2(O[5]P[5]){1|Cl<1>,4|H<1>,8|C<3>}	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)2(O[5]P[5]){1|Cl<1>,4|H<1>,8|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|O<2>,1|P<3>,2|H<1>,5|C<3>}	114.6360	4.378	4	114.4973	9.685	12	114.6281	8.698	16	114.0053	8.220	21	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:2:	4:3:3:2:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)2(O[5]P[5])	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)2(O[5]P[5])	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)2(O[5]P[5]){1|Rh<5>,1|O<2>,4|H<1>,8|C<3>}	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)2(O[5]P[5]){1|Rh<5>,1|O<2>,4|H<1>,8|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|O<2>,1|P<4>,2|H<1>,5|C<3>}	114.4280	2.644	8	114.4973	9.685	12	114.6281	8.698	16	114.0053	8.220	21	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:2:	4:3:3:2:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:O[5]-2:	C[5]-4:C[6a]-3:N[5]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]N[5]O[5])(C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])	C[5](C[5]C[6a]N[5]O[5])(C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])	C[6a](C[5]C[5]N[5]O[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]O[5])(C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5]){3|C<4>,4|C<3>,6|H<1>}	C[5](C[5]C[6a]N[5]O[5])(C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5]){3|C<4>,4|C<3>,6|H<1>}	C[6a](C[5]C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	112.6620	0.000	1	112.6620	0.000	1	112.6620	0.000	1	114.0053	8.220	21	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:2:	4:3:4:1:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)2(O[5]C[5])	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)2(O[5]C[5]){1|C<4>,1|O<1>,3|H<1>,8|C<3>}	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	113.6050	2.769	4	113.6050	7.665	4	114.1122	5.383	14	113.8928	5.721	15	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:2:	4:3:4:1:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)2(O[5]C[5])	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)2(O[5]C[5]){1|C<4>,1|O<1>,5|H<1>,6|C<3>}	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,5|C<3>}	115.3828	1.650	4	115.3828	2.723	4	114.1122	5.383	14	113.8928	5.721	15	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:2:	4:3:4:1:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)2(O[5]C[5])	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)2(O[5]C[5]){1|O<1>,2|C<4>,4|H<1>,6|C<3>}	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	112.8290	3.848	2	112.8290	14.808	2	114.1122	5.383	14	113.8928	5.721	15	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:2:	4:3:4:1:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)2(O[5]C[5])	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)2(O[5]C[5]){1|O<1>,6|C<3>,6|H<1>}	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,5|C<3>}	113.9905	2.096	4	113.9905	4.392	4	114.1122	5.383	14	113.8928	5.721	15	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:2:	4:3:4:1:	4:3:3:	C[5]-4:N[5]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(OH)	C[5](C[5]C[6a]N[5]O)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(OH){1|O<1>,3|H<1>,7|C<3>}	C[5](C[5]C[6a]N[5]O)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	110.8210	0.000	1	110.8210	0.000	1	110.8210	0.000	1	113.8928	5.721	15	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:2:	4:3:4:4:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[5]-4:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)2(O[5]C[5])	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CH3)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)2(O[5]C[5]){1|O<1>,6|C<3>,6|H<1>}	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[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,5|C<3>}	114.3240	1.411	2	114.3240	1.992	2	114.3240	1.992	2	114.3240	1.992	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:2:	4:4:1:1:	3:3:4:	C[5]-4:C[5]-3:C[6a]-3:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(C[6a]C[6a]2)(OH)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]O)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2O)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(C[6a]C[6a]2)(OH){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]O)(H)2{1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2O){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	115.1715	0.948	2	115.1715	0.899	2	115.1715	0.899	2	115.1715	0.899	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:2:	4:4:1:1:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)2(O[5]C[5,6])	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[6a]2O[5])(H)2	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)2(O[5]C[5,6]){3|C<4>,4|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[6a]2O[5])(H)2{1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	112.2602	0.409	4	112.2602	0.167	4	112.2602	0.167	4	110.3300	4.150	11	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:2:	4:4:1:1:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	N[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]N[5,5]HH)(C[6a]C[6a]2)2(O[5]Ge[5,5])	C[5](N[5,5]Ge[5,5]C[5]C)(C[5]C[6a]2O[5])(H)2	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5]N[5,5]HH)(C[6a]C[6a]2)2(O[5]Ge[5,5]){1|Pd<4>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[5](N[5,5]Ge[5,5]C[5]C)(C[5]C[6a]2O[5])(H)2{1|Pd<4>,1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|Ge<4>,1|N<4>,3|C<3>,4|H<1>}	108.8492	1.522	6	108.8492	2.316	6	108.8492	2.316	6	110.3300	4.150	11	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:2:	4:4:1:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:O-2:	C[5,5]-4:C[5]-4:F-1:F-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5]FF)(C[6a]C[6a]2)(N[5]C[5]C)(OH)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]N[5]O)(F)2	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]FF)(C[6a]C[6a]2)(N[5]C[5]C)(OH){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]N[5]O)(F)2{1|C<4>,1|H<1>,1|O<1>,1|S<4>,4|C<3>}	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|F<1>,2|H<1>}	111.4940	0.000	1	111.4940	0.000	1	111.4940	0.000	1	110.3300	4.150	11	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:3:	3:4:1:1:	3:3:4:	C[5]-4:C[5]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)(CNO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)(CNO){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(H)2{1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|O<1>,3|C<3>,4|H<1>}	110.8240	0.000	1	110.8240	0.000	1	110.8240	0.000	1	110.8240	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:3:	3:4:2:1:	3:3:4:	C[5]-4:C[5]-3:C[6a]-3:N-3:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(C[6a]C[6a]2)(NCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N)(OH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2N)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(C[6a]C[6a]2)(NCH){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N)(OH)(H){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2N){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	111.6630	0.000	1	111.6630	0.000	1	111.6630	0.000	1	111.6630	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:3:	3:4:3:1:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:C[5]-3:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)2(C[5]C[5]O)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]2C[5])(C[5]C[5]H)(H)	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)2(C[5]C[5]O){6|C<3>,6|H<1>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]2C[5])(C[5]C[5]H)(H){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|O<1>,3|H<1>,6|C<3>}	113.2090	0.077	3	113.2090	0.006	3	113.2090	0.006	3	113.2090	0.006	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:3:	3:4:3:2:	4:3:3:	C[5]-4:N[5]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-4:C-3:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(C[6a]C[6a]2)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(CCH)(OH)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(C[6a]C[6a]2)(COO){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(CCH)(OH){2|H<1>,4|C<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>}	113.8360	0.000	1	113.8360	0.000	1	113.8360	0.000	1	113.8360	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:3:	3:4:3:4:	4:3:3:	C[5]-4:N[5]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(C[6a]C[6a]2)(CHN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(C[6a]C[6a]2)(CH3)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(C[6a]C[6a]2)(CHN){2|H<1>,6|C<3>}	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[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	113.4580	0.000	1	113.4580	0.000	1	113.4580	0.000	1	113.4580	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:3:	3:4:4:1:	4:3:3:	C[5]-4:N[5]-3:C[6a]-3:B[5]-3:	C[5,6a]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6a]C[6]H)(N[5]C[5,6a]C)(C[6a]C[6a]2)(B[5]O[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5]N[5])(C[6]C[6]2H)(H)	C[6a](C[5]B[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[6]H)(N[5]C[5,6a]C)(C[6a]C[6a]2)(B[5]O[5]2){3|C<4>,3|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5]N[5])(C[6]C[6]2H)(H){2|C<4>,2|O<2>,4|H<1>,5|C<3>}	C[6a](C[5]B[5]C[5]N[5])(C[6a]C[6a]H)2{2|C<4>,2|O<2>,3|C<3>,3|H<1>}	109.7530	0.000	1	109.7530	0.000	1	109.7530	0.000	1	112.2320	12.291	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:3:	3:4:4:1:	4:3:3:	C[5]-4:N[5]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]H)(C[6a]C[6a]2)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(CCHH)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]H)(C[6a]C[6a]2)(COO){2|H<1>,4|C<3>}	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[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	114.7110	0.000	1	114.7110	0.000	1	114.7110	0.000	1	112.2320	12.291	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:3:	3:4:4:2:	4:3:3:	C[5]-4:N[5]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-4:C-4:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(C[6a]C[6a]2)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(CH3)(OH)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(C[6a]C[6a]2)(COO){2|H<1>,4|C<3>}	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[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	113.8640	0.000	1	113.8640	0.000	1	113.8640	0.000	1	113.8640	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:3:	3:4:4:4:	4:3:3:	C[5]-4:N[5]-3:C[6a]-3:B[5]-3:	C[5,6a]-3:C[5]-4:C-4:C-4:	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)(B[5]O[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5]N[5])(CCHH)(CH3)	C[6a](C[5]B[5]C[5]N[5])(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)(B[5]O[5]2){2|C<4>,2|H<1>,4|C<3>}	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[6a](C[5]B[5]C[5]N[5])(C[6a]C[6a]H)2{2|H<1>,2|O<2>,3|C<3>,3|C<4>}	110.7210	0.000	1	110.7210	0.000	1	110.7210	0.000	1	110.7210	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:3:	4:3:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-3:C-3:	C[5]-4:C[6a]-3:N[5]-3: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]C)(CCH)	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]C)(H)	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]C)(CCH){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]C)(H){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|N<3>,3|H<1>,4|C<3>}	108.6700	0.000	1	108.6700	0.000	1	108.6700	0.000	1	108.6700	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:3:	4:3:3:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:C-3:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(COO)	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(COO){3|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(C[5]C[5]2)(H){1|N<2>,4|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	116.2620	0.000	1	116.2620	0.000	1	116.2620	0.000	1	113.6477	5.356	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:3:	4:3:3:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:C-3:	C[5]-4:C[6a]-3:N[5]-3: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]H)(COO)	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(N[5]C[5]C)(H)	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]H)(COO){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(N[5]C[5]C)(H){3|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	112.3405	0.678	2	112.3405	0.460	2	112.3405	0.460	2	113.6477	5.356	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:3:	4:3:3:3:	3:3:4:	C[5]-4:C[5]-3:C[5]-3:C[6a]-3:	C[5]-4:C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]C[5]2)(C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5]2)(C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]3)	C[5](C[5]C[6a]C[5]2)(C[5]C[5,6a]O)2(C[6a]C[6a]2){2|H<1>,2|O<1>,8|C<3>}	C[5](C[5]C[6a]C[5]2)(C[5]C[5,6a]O)2(C[6a]C[6a]2){2|H<1>,2|O<1>,8|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]3){1|N<2>,2|H<1>,2|O<1>,5|C<3>}	114.7530	0.112	5	114.7530	0.012	5	114.7530	0.012	5	114.7530	0.012	5	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:3:	4:3:3:3:	4:3:3:	C[5]-4:C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)	C[5](C[5]C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)	C[6a](C[5]C[5,6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,8|C<3>}	C[5](C[5]C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,8|C<3>}	C[6a](C[5]C[5,6a]C[5]2)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,6|C<3>}	114.5750	2.629	2	114.5120	6.308	4	114.2323	6.290	6	114.5456	5.928	7	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:3:	4:3:3:3:	4:3:3:	C[5]-4:C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)	C[5](C[5]C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)	C[6a](C[5]C[5,6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O){1|N<3>,1|O<1>,3|H<1>,9|C<3>}	C[5](C[5]C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O){1|N<3>,1|O<1>,3|H<1>,9|C<3>}	C[6a](C[5]C[5,6a]C[5]2)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,6|C<3>}	114.4490	3.463	2	114.5120	6.308	4	114.2323	6.290	6	114.5456	5.928	7	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:3:	4:3:3:3:	4:3:3:	C[5]-4:C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)	C[5](C[5]C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[5]C[5,6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O){1|O<1>,1|O<2>,3|H<1>,8|C<3>}	C[5](C[5]C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O){1|O<1>,1|O<2>,3|H<1>,8|C<3>}	C[6a](C[5]C[5,6a]C[5]2)(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|H<1>,6|C<3>}	113.6730	3.404	2	113.6730	11.587	2	114.2323	6.290	6	114.5456	5.928	7	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:3:	4:3:3:3:	4:3:3:	C[5]-4:N[5]-3:N[5]-3:C[6a]-3:	C[5]-4:N[5]-3:N[5]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]N[5]2)(N[5]C[5,6a]C)2(C[6a]C[6a]2)	C[5](C[5]C[6a]N[5]2)(N[5]C[5,6a]C)2(C[6a]C[6a]2)	C[6a](C[5]C[5]N[5]2)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]2)(N[5]C[5,6a]C)2(C[6a]C[6a]2){2|C<4>,2|H<1>,8|C<3>}	C[5](C[5]C[6a]N[5]2)(N[5]C[5,6a]C)2(C[6a]C[6a]2){2|C<4>,2|H<1>,8|C<3>}	C[6a](C[5]C[5]N[5]2)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,2|N<3>,4|C<3>}	116.4250	0.000	1	116.4250	0.000	1	116.4250	0.000	1	114.5456	5.928	7	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:3:	4:3:4:1:	3:3:4:	C[5]-4:C[5]-3:C[6a]-3:N-3:	C[5]-4:C[6]-3:N[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6]N[5]H)(C[5]C[6a]N[5])(C[6a]C[6a]2)(NHN)	C[5](C[5]C[6a]C[5]N)(C[6]C[6]N[6])(N[5]N[5]NiH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2N)	C[5](C[5]C[6]N[5]H)(C[5]C[6a]N[5])(C[6a]C[6a]2)(NHN){1|Ni<6>,1|N<3>,3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]N)(C[6]C[6]N[6])(N[5]N[5]NiH)(H){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2N){1|N<2>,1|N<4>,3|C<3>,3|H<1>}	107.9275	0.650	2	107.9275	0.422	2	107.9275	0.422	2	107.9275	0.422	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:3:	4:3:4:1:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:C[6]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6]N[5]H)(C[6a]C[6a]2)2(N[5]P[5,5]H)	C[5](C[5]C[6a]2N[5])(N[5]P[5,5]C)(C[6]C[6]2H)(H)	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6]N[5]H)(C[6a]C[6a]2)2(N[5]P[5,5]H){2|N<3>,3|C<4>,4|C<3>,5|H<1>}	C[5](C[5]C[6a]2N[5])(N[5]P[5,5]C)(C[6]C[6]2H)(H){2|C<4>,2|N<3>,4|C<3>,5|H<1>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|P<4>,3|C<3>,4|H<1>}	113.1260	0.841	4	113.1260	0.708	4	113.1260	0.708	4	111.8716	4.562	7	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:3:	4:3:4:1:	4:3:3:	C[5]-4:N[5]-3:C[6a]-3:C-3:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(CNO)	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(CNO){1|O<1>,3|H<1>,7|C<3>}	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,3|C<3>,3|H<1>}	109.1450	0.000	1	109.1450	0.000	1	110.1990	5.281	3	111.8716	4.562	7	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:3:	4:3:4:1:	4:3:3:	C[5]-4:N[5]-3:C[6a]-3:C-3:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(COO)	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(COO){1|O<2>,4|H<1>,7|C<3>}	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,2|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	110.7260	2.983	2	110.7260	8.896	2	110.1990	5.281	3	111.8716	4.562	7	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:3:	4:4:1:1:	3:3:4:	C[5]-4:C[5]-3:C[6a]-3:C-3:	C[5,5]-4:C[5]-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)(COO)	C[5](C[5,5]N[5,5]O[5]H)(C[5]C[6a]C[5]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2C)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(C[6a]C[6a]2)(COO){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,5]N[5,5]O[5]H)(C[5]C[6a]C[5]C)(H)2{1|O<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	113.6220	0.000	1	113.6220	0.000	1	113.6220	0.000	1	115.2540	5.327	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:3:	4:4:1:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-3:C-3:	C[3,5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[3,5]HH)(C[6a]C[6a]2)(C[5]N[5]O)(COO)	C[5](C[3,5]C[3]2N[5])(C[5]C[6a]C[5]C)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[5]C[3,5]HH)(C[6a]C[6a]2)(C[5]N[5]O)(COO){2|C<3>,2|H<1>,3|C<4>}	C[5](C[3,5]C[3]2N[5])(C[5]C[6a]C[5]C)(H)2{1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	116.8860	0.000	1	116.8860	0.000	1	116.8860	0.000	1	115.2540	5.327	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:3:	4:4:1:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:C-3:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5]H)(COO)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]C[6a]N[5]C)(H)2	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5]H)(COO){2|H<1>,2|N<3>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]C[6a]N[5]C)(H)2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|F<1>,2|C<4>,4|H<1>}	110.8670	0.000	2	110.9895	0.020	4	110.9895	0.020	4	110.9895	0.020	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:3:	4:4:1:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:C-3:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5]H)(COO)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]C[6a]N[5]C)(H)2	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5]H)(COO){2|H<1>,2|N<3>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]C[6a]N[5]C)(H)2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,3|C<4>,4|H<1>}	111.1120	0.000	2	110.9895	0.020	4	110.9895	0.020	4	110.9895	0.020	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:3:	4:4:3:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:C-3:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(N[5]C[5]H)(COO)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]N[5]C)(COO)(H)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(N[5]C[5]H)(COO){4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]N[5]C)(COO)(H){1|N<3>,1|O<1>,3|H<1>,4|C<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>}	115.4080	0.000	1	115.4080	0.000	1	115.4080	0.000	1	115.4080	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:4:	3:4:2:1:	4:3:3:	C[5]-4:N[5]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-4:O-2: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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(OC)(H)	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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(OC)(H){1|H<1>,5|C<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>}	110.4890	0.000	1	110.4890	0.000	1	109.7040	1.232	2	109.7040	1.232	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:4:	3:4:2:1:	4:3:3:	C[5]-4:N[5]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-4:O-2: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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(OH)(H)	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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(OH)(H){1|H<1>,5|C<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>}	108.9190	0.000	1	108.9190	0.000	1	109.7040	1.232	2	109.7040	1.232	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:4:	3:4:3:3:	3:3:4:	C[5]-4:C[5]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-4:C-3:C-3:	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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(CC[5]C)(COO)	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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(CC[5]C)(COO){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|O<1>,2|H<1>,5|C<3>}	108.9100	0.000	1	108.9100	0.000	1	108.9100	0.000	1	108.9100	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:4:	3:4:4:4:	4:3:3:	C[5]-4:N[5]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-4:C-4:C-4:	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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(CCHH)(CH3)	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[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[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{2|H<1>,3|C<3>,3|C<4>}	112.4080	0.000	1	112.4080	0.000	1	112.4080	0.000	1	112.4080	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:4:	4:2:1:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]B[5,5]C[5]C)(C[6a]C[6a]2)2(C[5]O[5]HH)	C[5](C[5]C[5,5]C[6a]2)(O[5]B[5,5])(H)2	C[6a](C[5]C[5,5]C[6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]B[5,5]C[5]C)(C[6a]C[6a]2)2(C[5]O[5]HH){2|C<4>,4|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]2)(O[5]B[5,5])(H)2{2|C<4>,5|C<3>}	C[6a](C[5]C[5,5]C[6a]C[5])(C[6a]C[6a]H)2{1|B<3>,1|C<4>,1|O<2>,4|C<3>,4|H<1>}	109.4215	0.069	2	109.4215	0.005	2	109.4215	0.005	2	111.1444	5.138	8	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:4:	4:2:1:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)2(C[5]O[5]HH)	C[5](C[5]C[5,6]C[6a]2)(O[5]C[5,6])(H)2	C[6a](C[5]C[5,6]C[6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)2(C[5]O[5]HH){2|C<4>,4|C<3>,7|H<1>}	C[5](C[5]C[5,6]C[6a]2)(O[5]C[5,6])(H)2{2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,6]C[6a]C[5])(C[6a]C[6a]H)2{1|O<2>,2|C<4>,3|C<3>,5|H<1>}	111.7888	2.872	4	111.7888	8.247	4	111.7888	8.247	4	111.1444	5.138	8	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:4:	4:2:1:1:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)2(C[5]O[5]HH)	C[5](C[5]C[6a]2C[5])(O[5]C[5,5])(H)2	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)2(C[5]O[5]HH){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[5](C[5]C[6a]2C[5])(O[5]C[5,5])(H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,6|H<1>}	111.5785	1.802	2	111.5785	3.249	2	111.5785	3.249	2	111.1444	5.138	8	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:4:	4:3:2:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:C-4:	C[5]-4:C[6a]-3:O[5]-2: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[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(O[5]C[5])(H)	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[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	109.9770	0.000	1	109.9770	0.000	1	109.9770	0.000	1	114.2085	35.811	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:4:	4:3:2:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-3:P-4:	C[5]-4:C[6a]-3:O[5]-2: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]H)(PO3)	C[5](C[5]C[6a]N[5]P)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5]N[5]P)(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(PO3){1|S<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5]P)(C[6a]C[6a]2)(O[5]C[5])(H){1|S<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]P)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,4|H<1>}	118.4400	0.000	1	118.4400	0.000	1	118.4400	0.000	1	114.2085	35.811	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:4:	4:3:4:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:C[5]-4: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[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	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[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,6|C<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>}	113.1775	0.019	2	113.1775	0.000	2	113.1775	0.000	2	113.1775	0.000	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	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[5,5]-4:C[5]-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[5](C[5,5]N[5,5]C[5]C)(C[5]C[6a]C[5]C)(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[5](C[5,5]N[5,5]C[5]C)(C[5]C[6a]C[5]C)(H)2{1|O<1>,2|H<1>,4|C<3>}	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>}	108.9920	0.000	1	108.9920	0.000	1	108.9920	0.000	1	108.9920	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:4:	4:4:1:1:	4:3:3:	C[5]-4:C[6a]-3:C[6a]-3:C[5]-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)2(C[5]O[5]HH)	C[5](C[5,5]C[5]O[5]2)(C[5]C[6a]2C[5])(H)2	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)2(C[5]O[5]HH){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5]O[5]2)(C[5]C[6a]2C[5])(H)2{1|C<4>,4|H<1>,5|C<3>}	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,6|H<1>}	112.3910	4.897	2	112.3910	23.985	2	112.3910	23.985	2	111.8760	8.846	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:3:4:	4:4:1:1:	4:3:3:	Si[5]-4:C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](Si[5]C[5]N[6]O)(C[6a]C[6a]2)2(C[5]C[5]HH)	C[5](C[5]C[6a]2Si[5])(C[5]C[5]HH)(H)2	C[6a](C[5]C[6a]Si[5]C[5])(C[6a]C[6a]H)2	C[5](Si[5]C[5]N[6]O)(C[6a]C[6a]2)2(C[5]C[5]HH){6|H<1>,8|C<3>}	C[5](C[5]C[6a]2Si[5])(C[5]C[5]HH)(H)2{1|N<3>,1|O<1>,6|C<3>}	C[6a](C[5]C[6a]Si[5]C[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>,4|C<4>}	111.3610	1.222	2	111.3610	1.493	2	111.3610	1.493	2	111.8760	8.846	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	3:4:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5a]C[5a]N[5a])(C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(H){1|O<1>,2|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	111.8460	0.000	1	111.8460	0.000	1	111.8460	0.000	1	112.4440	0.715	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	3:4:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[5]-4:C[5]-3: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]O[5]HH)(H)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]O[5]O)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]O[5]O)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|O<2>,3|C<3>,5|H<1>}	113.0420	0.000	1	113.0420	0.000	1	113.0420	0.000	1	112.4440	0.715	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	3:4:4:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5](C[5a]C[5a]O[5a])(C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|O<2>,3|H<1>,5|C<3>}	C[5](C[5a]C[5a]O[5a])(C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(H){1|H<1>,1|N<2>,1|N<3>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	116.6550	0.000	1	116.6550	0.000	1	116.6550	0.000	1	117.7793	0.948	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	3:4:4:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[5](C[6]C[6,6a]N[6])(C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|N<2>,4|C<3>,5|H<1>}	C[5](C[6]C[6,6a]N[6])(C[5]C[6a]C[5]H)(C[5]C[5]CH)(H){1|S<4>,2|C<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<2>,2|C<3>,2|C<4>,3|H<1>}	118.3415	0.026	2	118.3415	0.001	2	118.3415	0.001	2	117.7793	0.948	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:2:1:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5,5])(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<2>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(O[5]C[5,5])(H)2{1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	113.2910	0.000	1	113.2910	0.000	1	114.0376	2.152	5	114.0376	2.152	5	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:2:1:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5,6])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[5]C[6a]C[5]H)(O[5]C[5,6])(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	113.0600	0.839	2	113.0600	0.703	2	114.0376	2.152	5	114.0376	2.152	5	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:2:1:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2: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]O[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|O<2>,3|C<3>,5|H<1>}	115.3885	1.337	2	115.3885	1.788	2	114.0376	2.152	5	114.0376	2.152	5	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:2:2:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:O-2: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]O[5]HO)(H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(OH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]HO)(H){3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(OH)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	117.2020	0.000	1	117.2020	0.000	1	117.2020	0.000	1	117.2020	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:2:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5,5])(CC[6a]N)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(C[5]O[5]CH)(H){2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(O[5]C[5,5])(CC[6a]N)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	111.6750	0.000	1	111.6750	0.000	1	114.4385	15.274	2	114.4385	15.274	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:2:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:C-3: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]O[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CNO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]CH)(H){1|O<2>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CNO)(H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	117.2020	0.000	1	117.2020	0.000	1	114.4385	15.274	2	114.4385	15.274	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:2:3:1:	4:3:3:	C[3,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[5](C[5]C[3,5]C[6a]H)(O[5]C[3,5])(COO)(H)	C[6a](C[5]C[3,5]C[5]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(C[5]O[5]CH)(H){3|C<3>,4|H<1>}	C[5](C[5]C[3,5]C[6a]H)(O[5]C[3,5])(COO)(H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[3,5]C[5]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	115.1870	0.000	1	115.1870	0.000	1	115.1870	0.000	1	115.0970	0.016	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:2:3:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[5](C[5]C[5,5]C[6a]H)(O[5]C[5,5])(COO)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]O[5]CH)(H){1|O<2>,3|C<3>,5|H<1>}	C[5](C[5]C[5,5]C[6a]H)(O[5]C[5,5])(COO)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	115.0070	0.000	1	115.0070	0.000	1	115.0070	0.000	1	115.0970	0.016	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:2:3:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:C-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]F)(C[6a]C[6a]2)(C[5]O[5]CC)(H)	C[5](C[5]C[5,5]C[6a]H)(O[5]N[5,5])(COO)2	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]F)(C[6a]C[6a]2)(C[5]O[5]CC)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[5,5]C[6a]H)(O[5]N[5,5])(COO)2{1|C<4>,1|F<1>,1|O<2>,2|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|F<1>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	114.9930	0.041	2	114.9930	0.002	2	114.9930	0.002	2	116.1167	3.789	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:2:3:3:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:C-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]O[5]CC)(H)	C[5](C[5]C[5,6]C[6a]H)(O[5]C[5])(COO)2	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]O[5]CC)(H){1|O<1>,4|H<1>,5|C<3>}	C[5](C[5]C[5,6]C[6a]H)(O[5]C[5])(COO)2{1|H<1>,5|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,5|C<3>}	118.3640	0.000	1	118.3640	0.000	1	118.3640	0.000	1	116.1167	3.789	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:2:4:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:C-4: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]O[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(CH3)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]O[5]CH)(H){2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(CH3)(H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	116.8535	0.203	2	116.8535	0.041	2	116.8535	0.041	2	116.8535	0.041	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:2:4:1:	3:4:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-2:C-4:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a,6a]C[6a])(C[5]N[5]CH)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5])(CF3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a,6a]C[6a])(C[5]N[5]CH)(H){1|H<1>,1|O<1>,7|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5])(CF3)(H){1|O<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H){1|N<2>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	119.3550	0.000	1	119.3550	0.000	1	119.3550	0.000	1	119.3550	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:2:4:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5])(CF3)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|N<2>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5])(CF3)(H){6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<2>,2|C<4>,3|C<3>,3|H<1>}	116.7450	1.557	3	116.7450	2.423	3	116.8937	1.704	4	116.2113	2.205	6	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:2:4:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5])(CF3)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|N<2>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5])(CF3)(H){1|S<2>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<2>,1|S<2>,2|C<3>,2|C<4>,3|H<1>}	117.3400	0.000	1	117.3400	0.000	1	116.8937	1.704	4	116.2113	2.205	6	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:2:4:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]O)(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[5](C[5]C[5,5]C[6a]H)(O[5]C[5,5])(CBrHH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]O)(C[6a]C[6a]2)(C[5]O[5]CH)(H){1|O<2>,4|C<3>,4|H<1>}	C[5](C[5]C[5,5]C[6a]H)(O[5]C[5,5])(CBrHH)(H){1|C<4>,2|O<2>,3|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|O<2>,3|C<4>,3|H<1>}	114.8465	0.571	2	114.8465	0.326	2	114.8465	0.326	2	116.2113	2.205	6	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5,5]O)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5,5]O)(H)2{1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,3|C<3>,5|H<1>}	115.7920	0.335	2	115.7920	0.112	2	115.1908	3.033	20	115.1247	2.848	59	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5,6]O)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5,6]O)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,2|C<3>,6|H<1>}	116.2243	0.645	3	116.2243	0.416	3	115.1908	3.033	20	115.1247	2.848	59	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5]ClN)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5]C[5]ClN)(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(H)2{1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H){1|Cl<1>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	114.3850	0.000	1	114.3850	0.000	1	115.1908	3.033	20	115.1247	2.848	59	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5]N[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5]N[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<2>,1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(H)2{1|C<2>,1|C<4>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,1|C<4>,1|N<2>,2|C<3>,4|H<1>}	114.3295	1.675	2	114.3295	2.806	2	115.1908	3.033	20	115.1247	2.848	59	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5]SiO)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5]C[5]SiO)(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(H)2{1|Si<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H){1|Si<4>,1|O<2>,3|H<1>,4|C<3>}	117.7590	0.000	1	117.7590	0.000	1	115.1908	3.033	20	115.1247	2.848	59	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3: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)(H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)2{4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){1|O<2>,4|C<3>,4|H<1>}	114.3410	0.882	2	114.3410	0.779	2	115.1908	3.033	20	115.1247	2.848	59	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3: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)(H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)2{4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|O<2>,4|C<3>,4|H<1>}	111.6850	0.000	1	111.6850	0.000	1	115.1908	3.033	20	115.1247	2.848	59	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3: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]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(H)2{1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){4|C<3>,5|H<1>}	114.3830	0.000	1	114.3830	0.000	1	115.1908	3.033	20	115.1247	2.848	59	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3: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]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2{1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){4|C<3>,5|H<1>}	114.9950	0.000	2	114.9337	0.011	3	115.1908	3.033	20	115.1247	2.848	59	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3: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]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,3|C<3>,5|H<1>}	114.8110	0.000	1	114.9337	0.011	3	115.1908	3.033	20	115.1247	2.848	59	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3: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]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){4|C<3>,5|H<1>}	112.4400	0.000	1	112.4400	0.000	1	115.1908	3.033	20	115.1247	2.848	59	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3: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]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){4|C<3>,5|H<1>}	119.3070	0.000	1	119.3070	0.000	1	115.1908	3.033	20	115.1247	2.848	59	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3: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)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2{2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,3|C<3>,5|H<1>}	115.1220	0.000	1	115.1220	0.000	1	115.1908	3.033	20	115.1247	2.848	59	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(H)2{4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|O<2>,4|C<3>,4|H<1>}	116.3360	0.000	1	116.3360	0.000	1	115.1908	3.033	20	115.1247	2.848	59	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[4,5]HH)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[4,5]S)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[4,5]HH)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[4,5]S)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	115.9465	1.593	2	115.9465	2.538	2	115.0908	2.827	39	115.1247	2.848	59	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5]BrN)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]BrN)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2{1|Br<1>,1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|Br<1>,1|C<3>,1|C<4>,2|N<3>,4|H<1>}	115.0220	0.868	2	115.0220	0.754	2	115.0908	2.827	39	115.1247	2.848	59	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2{1|C<2>,5|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(C[5]C[5]2H){1|C<2>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	116.6280	0.000	1	116.6280	0.000	1	115.0908	2.827	39	115.1247	2.848	59	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|Cl<1>,1|C<4>,1|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]C[5]2H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	113.1000	0.665	3	113.1000	0.442	3	115.0908	2.827	39	115.1247	2.848	59	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2{1|C<2>,5|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]C[5]2H){1|C<2>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	114.7080	0.000	1	114.7080	0.000	1	115.0908	2.827	39	115.1247	2.848	59	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2{1|C<2>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,1|C<4>,1|N<3>,2|C<3>,4|H<1>}	116.9060	0.000	1	113.7425	4.950	8	115.0908	2.827	39	115.1247	2.848	59	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|Br<1>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	113.0070	0.000	1	113.7425	4.950	8	115.0908	2.827	39	115.1247	2.848	59	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	113.3378	2.150	6	113.7425	4.950	8	115.0908	2.827	39	115.1247	2.848	59	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2{1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	115.2600	2.674	2	115.2600	7.152	2	115.0908	2.827	39	115.1247	2.848	59	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2{1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	115.8736	1.129	9	115.8736	1.274	9	115.0908	2.827	39	115.1247	2.848	59	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5]CN)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5]C[5,5]CN)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|H<1>,2|C<4>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2{1|C<4>,1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	115.6565	0.105	2	115.6565	0.011	2	115.0908	2.827	39	115.1247	2.848	59	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5]CN)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]CN)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2{1|C<4>,1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	116.0415	0.093	2	115.8273	0.142	3	115.0908	2.827	39	115.1247	2.848	59	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5]CN)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]CN)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2{1|N<3>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	115.3990	0.000	1	115.8273	0.142	3	115.0908	2.827	39	115.1247	2.848	59	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]S)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]S)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	115.6360	0.000	1	115.6360	0.000	1	115.0908	2.827	39	115.1247	2.848	59	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5]HN)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]HN)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|C<4>,2|N<3>,5|H<1>}	116.0440	0.305	2	116.0440	0.093	2	115.0908	2.827	39	115.1247	2.848	59	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5]SiH)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5]SiH)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|S<4>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2{1|Si<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|Si<4>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	112.8550	0.000	1	112.8550	0.000	1	115.0908	2.827	39	115.1247	2.848	59	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|S<4>,4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	116.6370	0.856	2	116.6370	0.732	2	115.0908	2.827	39	115.1247	2.848	59	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	3:4:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]H)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(H){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]H)(H)2{5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H){4|H<1>,7|C<3>}	116.6490	0.000	1	116.6490	0.000	1	116.6490	0.000	1	116.5010	0.044	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	3:4:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a,6a]C[6a])(C[5]N[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a,6a]C[6a])(C[5]N[5]HH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{1|S<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|S<2>,4|C<3>,4|H<1>}	116.3530	0.000	1	116.3530	0.000	1	116.3530	0.000	1	116.5010	0.044	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5,5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,5,6]C[6a]H)(N[5]C[3x5]C)(H)2	C[6a](C[5]C[5,5,6]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|Br<1>,1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5,5,6]C[6a]H)(N[5]C[3x5]C)(H)2{2|C<4>,4|C<3>}	C[6a](C[5]C[5,5,6]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	114.8310	0.000	1	114.8310	0.000	1	115.2552	1.551	6	116.3271	3.255	163	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5,5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,5,6]C[6a]H)(N[5]C[3x5]C)(H)2	C[6a](C[5]C[5,5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|Cl<1>,1|O<1>,3|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5,5,6]C[6a]H)(N[5]C[3x5]C)(H)2{2|C<4>,4|C<3>}	C[6a](C[5]C[5,5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	114.2540	0.000	1	114.2540	0.000	1	115.2552	1.551	6	116.3271	3.255	163	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5,5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,5,6]C[6a]H)(N[5]C[3x5]C)(H)2	C[6a](C[5]C[5,5,6]C[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|F<1>,1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5,5,6]C[6a]H)(N[5]C[3x5]C)(H)2{2|C<4>,4|C<3>}	C[6a](C[5]C[5,5,6]C[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	113.5750	0.000	1	113.5750	0.000	1	115.2552	1.551	6	116.3271	3.255	163	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5,5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,5,6]C[6a]H)(N[5]C[3x5]C)(H)2	C[6a](C[5]C[5,5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5](C[5]C[5,5,6]C[6a]H)(N[5]C[3x5]C)(H)2{2|C<4>,4|C<3>}	C[6a](C[5]C[5,5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	116.0690	0.000	1	116.2903	0.267	3	115.2552	1.551	6	116.3271	3.255	163	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5,5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,5,6]C[6a]H)(N[5]C[3x5]C)(H)2	C[6a](C[5]C[5,5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5](C[5]C[5,5,6]C[6a]H)(N[5]C[3x5]C)(H)2{2|C<4>,4|C<3>}	C[6a](C[5]C[5,5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	116.4010	0.679	2	116.2903	0.267	3	115.2552	1.551	6	116.3271	3.255	163	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)(H)2	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	117.1940	0.000	1	117.1940	0.000	1	117.6133	2.776	38	116.3271	3.255	163	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)(H)2	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,5|H<1>}	115.5780	0.000	1	115.5780	0.000	1	117.6133	2.776	38	116.3271	3.255	163	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]O[5]O)(H)2	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>,3|O<2>}	C[5](C[5]C[5,5]C[6a]H)(C[5]O[5]O)(H)2{1|C<4>,3|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,4|H<1>}	117.0520	0.000	1	117.0520	0.000	1	117.6133	2.776	38	116.3271	3.255	163	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)(H)2	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)(H)2{1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	116.9620	0.000	1	116.9620	0.000	1	117.6133	2.776	38	116.3271	3.255	163	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3: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]C[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)(H)2	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	116.1450	0.000	1	116.1450	0.000	1	117.6133	2.776	38	116.3271	3.255	163	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]H)(H)2	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|Br<1>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]H)(H)2{5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){4|H<1>,5|C<3>}	116.6670	0.000	1	116.6670	0.000	1	117.6133	2.776	38	116.3271	3.255	163	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5]O)(H)2	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5]O)(H)2{1|C<4>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,4|C<3>,4|H<1>}	119.1335	0.258	2	118.5807	0.950	3	117.6133	2.776	38	116.3271	3.255	163	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5]O)(H)2	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<3>,2|H<1>,2|O<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5]O)(H)2{5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,4|C<3>,4|H<1>}	117.4750	0.000	1	118.5807	0.950	3	117.6133	2.776	38	116.3271	3.255	163	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3: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)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]O[5]O)(H)2	C[6a](C[5]C[5,5]C[5]H)(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)(H){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]O[5]O)(H)2{4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|O<2>,4|C<3>,4|H<1>}	118.8211	0.668	9	118.4209	1.098	12	117.6133	2.776	38	116.3271	3.255	163	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3: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)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]O[5]O)(H)2	C[6a](C[5]C[5,5]C[5]H)(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)(H){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]O[5]O)(H)2{4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|Br<1>,1|O<2>,2|H<1>,4|C<3>}	116.5830	0.556	2	118.4209	1.098	12	117.6133	2.776	38	116.3271	3.255	163	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3: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)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]O[5]O)(H)2	C[6a](C[5]C[5,5]C[5]H)(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)(H){1|O<2>,2|H<1>,2|O<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]O[5]O)(H)2{4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|O<2>,4|C<3>,4|H<1>}	118.4950	0.000	1	118.4209	1.098	12	117.6133	2.776	38	116.3271	3.255	163	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]N[5,5]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(H)2	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]N[5,5]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,1|S<4>,2|H<1>,6|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(H)2{1|S<4>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,4|C<3>,4|H<1>}	115.4870	1.817	2	115.4870	3.302	2	117.6133	2.776	38	116.3271	3.255	163	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]H)(H)2	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]H)(H)2{1|N<2>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<2>,4|C<3>,4|H<1>}	119.4010	0.000	1	119.4010	0.000	1	117.6133	2.776	38	116.3271	3.255	163	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]O)(H)2	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,4|C<4>,6|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]O)(H)2{1|C<4>,1|N<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<4>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	116.7090	0.000	1	114.5920	8.963	2	117.6133	2.776	38	116.3271	3.255	163	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]O)(H)2	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,3|C<3>,3|C<4>,5|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]O)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	112.4750	0.000	1	114.5920	8.963	2	117.6133	2.776	38	116.3271	3.255	163	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]N[5])(H)2	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|H<1>,2|O<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]N[5])(H)2{6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<2>,4|C<3>,4|H<1>}	119.3380	0.000	1	119.3380	0.000	1	117.6133	2.776	38	116.3271	3.255	163	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]H)(H)2	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]H)(H)2{1|O<2>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|O<2>,4|C<3>,4|H<1>}	118.6635	1.088	2	118.6635	1.184	2	117.6133	2.776	38	116.3271	3.255	163	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]O)(H)2	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<3>,2|H<1>,2|N<2>,2|O<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]O)(H)2{1|N<2>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	117.1845	0.250	2	117.1845	0.062	2	117.6133	2.776	38	116.3271	3.255	163	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]O[5]2)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]O[5]O)(H)2	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]O[5]2)(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|H<1>,2|O<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]O[5]O)(H)2{1|O<2>,3|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|O<2>,3|C<3>,4|H<1>}	118.7710	0.000	1	118.7710	0.000	1	117.6133	2.776	38	116.3271	3.255	163	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(H)2	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(H)2{2|C<4>,3|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	118.4120	0.000	1	118.0275	0.952	4	117.6133	2.776	38	116.3271	3.255	163	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(H)2	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,1|S<4>,2|C<3>,4|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(H)2{2|C<4>,3|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	116.5880	0.000	1	118.0275	0.952	4	117.6133	2.776	38	116.3271	3.255	163	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(H)2	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(H)2{2|C<4>,3|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	118.5550	0.284	2	118.0275	0.952	4	117.6133	2.776	38	116.3271	3.255	163	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(H)2	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]C)	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]C){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	117.7680	0.000	1	117.7680	0.000	1	117.6133	2.776	38	116.3271	3.255	163	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(H)2	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	113.6720	0.000	1	113.6720	0.000	1	117.6133	2.776	38	116.3271	3.255	163	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|F<1>,1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	114.0440	0.000	1	114.0440	0.000	1	115.8016	2.859	58	116.3271	3.255	163	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|N<2>,1|O<1>,4|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	116.2160	0.000	1	116.2160	0.000	1	115.8016	2.859	58	116.3271	3.255	163	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	115.5660	0.000	1	116.1345	2.497	17	115.8016	2.859	58	116.3271	3.255	163	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|O<1>,4|H<1>,6|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|Br<1>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	115.8780	0.000	1	116.1345	2.497	17	115.8016	2.859	58	116.3271	3.255	163	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|O<1>,4|H<1>,6|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	116.2332	1.336	8	116.1345	2.497	17	115.8016	2.859	58	116.3271	3.255	163	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,2|O<1>,6|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,2|O<2>,3|C<3>}	117.9760	0.000	1	116.1345	2.497	17	115.8016	2.859	58	116.3271	3.255	163	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,2|O<1>,6|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	116.1710	2.348	2	116.1345	2.497	17	115.8016	2.859	58	116.3271	3.255	163	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,2|O<1>,6|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|N<3>,3|C<3>,3|H<1>}	117.6780	0.000	1	116.1345	2.497	17	115.8016	2.859	58	116.3271	3.255	163	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,2|O<1>,6|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	117.5740	0.000	1	116.1345	2.497	17	115.8016	2.859	58	116.3271	3.255	163	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|O<1>,2|C<4>,4|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	114.6550	0.000	1	116.1345	2.497	17	115.8016	2.859	58	116.3271	3.255	163	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|O<1>,3|C<4>,4|C<3>,4|H<1>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	112.7510	0.000	1	116.1345	2.497	17	115.8016	2.859	58	116.3271	3.255	163	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{1|N<2>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|N<2>,1|N<3>,2|C<3>,4|H<1>}	114.7340	0.000	1	114.7340	0.000	1	115.8016	2.859	58	116.3271	3.255	163	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{1|S<2>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,1|S<2>,2|C<3>,3|H<1>}	115.6990	0.000	1	115.6990	0.000	1	115.8016	2.859	58	116.3271	3.255	163	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{1|S<2>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|S<2>,2|C<3>,4|H<1>}	115.4210	1.147	2	115.4210	1.315	2	115.8016	2.859	58	116.3271	3.255	163	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|F<1>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{1|S<2>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|S<2>,2|C<3>,4|H<1>}	115.5455	1.039	2	115.5455	1.079	2	115.8016	2.859	58	116.3271	3.255	163	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{1|S<2>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|S<2>,2|C<3>,4|H<1>}	115.6153	1.550	15	115.6153	2.403	15	115.8016	2.859	58	116.3271	3.255	163	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]S)(H)2	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|S<4>,2|C<4>,4|C<3>,5|H<1>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]S)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	115.2090	0.000	1	115.2090	0.000	1	115.8016	2.859	58	116.3271	3.255	163	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]N[5]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]N[5]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H){3|H<1>,6|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|N<3>,4|H<1>}	115.1320	0.000	1	115.1320	0.000	1	115.8016	2.859	58	116.3271	3.255	163	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]2C[5,5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]2C[5,5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,8|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	117.6460	0.612	2	117.6460	0.375	2	115.8016	2.859	58	116.3271	3.255	163	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3: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)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]S)(H)2	C[6a](C[5]C[5,5]C[5]H)(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)(H){1|N<3>,1|S<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]S)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	115.8770	2.095	5	115.8770	4.388	5	115.8016	2.859	58	116.3271	3.255	163	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3: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[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a,6a]H)(C[6a]N[6a]O)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a,6a]H)(C[6a]N[6a]O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	116.0045	0.132	4	116.0045	0.017	4	115.8016	2.859	58	116.3271	3.255	163	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,5]O)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]S)(H)2	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5,5]O)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|N<3>,1|S<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]S)(H)2{1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	117.4450	0.000	1	117.4450	0.000	1	115.8016	2.859	58	116.3271	3.255	163	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]S)(H)2	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|N<3>,1|S<4>,2|H<1>,2|O<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]S)(H)2{1|O<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,4|C<3>,4|H<1>}	115.2970	0.000	1	115.2970	0.000	1	115.8016	2.859	58	116.3271	3.255	163	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]C)(H)2	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,4|H<1>}	119.9810	0.000	1	119.9810	0.000	1	115.8016	2.859	58	116.3271	3.255	163	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(H)2	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|N<3>,4|H<1>}	111.7975	1.224	2	111.7975	1.498	2	115.8016	2.859	58	116.3271	3.255	163	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5,6,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6,6]C[6,6a]C[6,6]N[5,6])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6,6]C[6a]H)(C[5]N[5,6]O)(H)2	C[6a](C[5]C[5,6,6]C[5]H)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[5](C[5,6,6]C[6,6a]C[6,6]N[5,6])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,3|C<4>,5|C<3>}	C[5](C[5]C[5,6,6]C[6a]H)(C[5]N[5,6]O)(H)2{2|C<4>,3|C<3>}	C[6a](C[5]C[5,6,6]C[5]H)(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<4>,4|C<3>,5|H<1>}	117.9670	0.000	1	117.9670	0.000	1	117.9670	0.000	1	116.3271	3.255	163	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(H)2	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,5|H<1>}	116.2335	0.313	2	116.2335	0.098	2	116.1288	8.037	6	116.3271	3.255	163	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5]O)(H)2	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|H<1>,2|N<3>,3|C<3>,3|O<1>}	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5]O)(H)2{5|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{4|H<1>,5|C<3>}	117.4720	0.000	1	117.4720	0.000	1	116.1288	8.037	6	116.3271	3.255	163	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[6,6a]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5]O)(H)2	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[5](C[5,6]C[6,6a]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,2|C<4>,6|C<3>}	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5]O)(H)2{1|C<4>,4|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,5|H<1>,6|C<3>}	119.8950	0.000	1	119.8950	0.000	1	116.1288	8.037	6	116.3271	3.255	163	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[6,6a]N[5,6]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]O)(H)2	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[6,6a]N[5,6]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,1|S<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]O)(H)2{1|C<4>,1|S<4>,3|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	111.2410	0.000	1	111.2410	0.000	1	116.1288	8.037	6	116.3271	3.255	163	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[6]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6]C[6a]H)(C[5]O[5]O)(H)2	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[6]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,2|O<1>,4|H<1>}	C[5](C[5]C[5,6]C[6a]H)(C[5]O[5]O)(H)2{1|C<4>,3|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,4|H<1>}	115.6980	0.000	1	115.6980	0.000	1	116.1288	8.037	6	116.3271	3.255	163	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|Cl<1>,1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	115.0100	0.000	1	114.3074	3.432	5	116.0971	2.305	54	116.3271	3.255	163	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|Cl<1>,1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	111.1980	0.000	1	114.3074	3.432	5	116.0971	2.305	54	116.3271	3.255	163	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|Cl<1>,1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	115.1097	0.904	3	114.3074	3.432	5	116.0971	2.305	54	116.3271	3.255	163	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	116.4089	1.190	14	116.1961	2.002	35	116.0971	2.305	54	116.3271	3.255	163	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	116.0185	1.613	8	116.1961	2.002	35	116.0971	2.305	54	116.3271	3.255	163	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	116.2910	0.329	5	116.1961	2.002	35	116.0971	2.305	54	116.3271	3.255	163	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|O<1>,2|C<4>,4|H<1>,5|C<3>}	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	115.9421	2.056	8	116.1961	2.002	35	116.0971	2.305	54	116.3271	3.255	163	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C[6a])(H)2	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|O<1>,4|H<1>,6|C<3>}	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C[6a])(H)2{1|C<4>,7|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	116.0040	0.000	1	116.0040	0.000	1	116.0971	2.305	54	116.3271	3.255	163	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3: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]N[5]HH)(H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C)(H)2	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|S<2>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	117.0830	0.000	1	117.0830	0.000	1	116.0971	2.305	54	116.3271	3.255	163	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3: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]N[5]HH)(H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C)(H)2	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C)(H)2{1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|N<3>,2|C<4>,4|H<1>}	116.8570	0.000	1	117.1059	0.724	8	116.0971	2.305	54	116.3271	3.255	163	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3: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]N[5]HH)(H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C)(H)2	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	117.1414	0.913	7	117.1059	0.724	8	116.0971	2.305	54	116.3271	3.255	163	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]O)(H)2	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]O)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	114.3080	0.000	1	114.3080	0.000	1	116.0971	2.305	54	116.3271	3.255	163	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]N)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C)(H)2	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6]C[6]N)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	116.0665	1.988	2	116.0665	3.951	2	116.0971	2.305	54	116.3271	3.255	163	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]S[6]H)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C[6a])(H)2	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]S[6]H)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|N<3>,2|O<1>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C[6a])(H)2{1|S<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|S<4>,5|H<1>}	114.4650	0.000	1	114.4650	0.000	1	116.0971	2.305	54	116.3271	3.255	163	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:2:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HO)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]O)(OC)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]C)	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HO)(H){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]O)(OC)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]C){1|C<4>,1|N<3>,2|H<1>,2|O<2>,3|C<3>}	116.3295	2.091	2	116.3295	4.372	2	116.3513	2.187	3	115.6815	3.253	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:2:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HO)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(OH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HO)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(OH)(H){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	116.3950	0.000	1	116.3950	0.000	1	116.3513	2.187	3	115.6815	3.253	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:2:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:O-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]HO)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]C)(OH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]HO)(H){1|Br<1>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]C)(OH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|N<3>,2|O<2>}	113.6720	0.000	1	113.6720	0.000	1	113.6720	0.000	1	115.6815	3.253	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:2:3:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:O[5]-2:C-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(COO)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]CH)(H){3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(COO){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	113.3970	0.000	1	113.3970	0.000	1	117.3118	9.122	4	117.3118	9.122	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:2:3:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:O[5]-2:C-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(CC[6a]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(CC[6a]O){1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|O<2>,4|C<3>,4|H<1>}	117.2600	0.000	1	117.2600	0.000	1	117.3118	9.122	4	117.3118	9.122	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:2:3:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:O[5]-2:C-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(COO)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(COO){5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	117.8510	0.000	1	117.8510	0.000	1	117.3118	9.122	4	117.3118	9.122	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:2:3:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:O[5]-2:C-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(COO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|O<2>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(COO){1|N<3>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	120.7390	0.000	1	120.7390	0.000	1	117.3118	9.122	4	117.3118	9.122	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-3: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]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(COO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<1>,4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(COO)(H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,4|C<3>,4|H<1>}	115.8650	0.000	1	115.8650	0.000	1	115.9213	1.046	3	115.3759	2.186	14	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(COO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(COO)(H){5|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	114.9280	0.000	1	114.9280	0.000	1	115.9213	1.046	3	115.3759	2.186	14	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]N[5]O)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CCO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]O)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CCO)(H){1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	116.9710	0.000	1	116.9710	0.000	1	115.9213	1.046	3	115.3759	2.186	14	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-3: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]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){4|C<3>,5|H<1>}	114.4080	0.000	2	114.2317	0.093	3	114.2167	0.096	6	115.3759	2.186	14	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-3: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]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H){4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){4|C<3>,5|H<1>}	113.8790	0.000	1	114.2317	0.093	3	114.2167	0.096	6	115.3759	2.186	14	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-3: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]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)(H){1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){4|C<3>,5|H<1>}	114.5210	0.000	1	114.5210	0.000	1	114.2167	0.096	6	115.3759	2.186	14	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-3: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]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)(H){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){4|C<3>,5|H<1>}	114.3070	0.000	1	114.3070	0.000	1	114.2167	0.096	6	115.3759	2.186	14	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-3: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]O[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]O)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]O)(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|O<2>,3|C<3>,5|H<1>}	113.7770	0.000	1	113.7770	0.000	1	114.2167	0.096	6	115.3759	2.186	14	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:N[5]-3: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)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,3|C<3>,5|H<1>}	114.3110	0.000	1	114.3110	0.000	1	114.3110	0.000	1	115.3759	2.186	14	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]H)(COO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]CH)(H){3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]H)(COO)(H){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	117.7740	0.000	1	117.7740	0.000	1	116.3555	4.024	2	115.3759	2.186	14	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(COO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|O<2>,3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(COO)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	114.9370	0.000	1	114.9370	0.000	1	116.3555	4.024	2	115.3759	2.186	14	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C[6a]-3: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]O[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]O[5]CH)(H){2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|C<4>,1|F<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	117.4850	0.000	1	117.5880	0.021	2	117.5880	0.021	2	115.3759	2.186	14	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C[6a]-3: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]O[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]O[5]CH)(H){2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	117.6910	0.000	1	117.5880	0.021	2	117.5880	0.021	2	115.3759	2.186	14	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:3:1:	3:4:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a,6a]C[6a])(C[5]C[6a]C[5]H)(H)	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5]H)(C[6a]C[6a]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a,6a]C[6a])(C[5]C[6a]C[5]H)(H){1|C<2>,1|H<1>,1|N<3>,1|O<1>,8|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(C[5]C[5]H)(H){2|H<1>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5]H)(C[6a]C[6a]C){1|O<1>,1|O<2>,2|H<1>,7|C<3>}	117.7745	1.059	2	117.7745	1.121	2	117.7745	1.121	2	117.7745	1.121	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:3:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5]S)(CC[6a]O)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|N<3>,1|O<1>,1|S<1>,3|H<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5]S)(CC[6a]O)(H){1|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,5|C<3>}	119.7230	0.000	1	119.7230	0.000	1	117.1813	3.574	4	116.6756	4.490	22	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:3:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]O)(CCC)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]O)(CCC)(H){5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{3|H<1>,6|C<3>}	116.8130	0.000	1	116.8130	0.000	1	117.1813	3.574	4	116.6756	4.490	22	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:3:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(COO)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(COO)(H){2|C<4>,3|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	116.0945	1.329	2	116.0945	1.765	2	117.1813	3.574	4	116.6756	4.490	22	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:3:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5]O)(NCH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|N<3>,2|H<1>,2|O<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5]O)(NCH)(H){5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|N<3>,3|H<1>,4|C<3>}	119.0460	0.000	1	119.0460	0.000	1	119.0460	0.000	1	116.6756	4.490	22	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:3:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(COO)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(COO)(H){1|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	113.0537	1.034	3	113.0537	1.070	3	115.7691	7.650	9	116.6756	4.490	22	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:3:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(COO)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|N<3>,2|O<1>,4|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(COO)(H){1|H<1>,1|S<4>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|S<4>,3|C<3>,3|H<1>}	115.6580	0.000	1	115.6580	0.000	1	115.7691	7.650	9	116.6756	4.490	22	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:3:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(COO)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|O<1>,4|C<3>,5|H<1>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(COO)(H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	119.0820	0.000	1	119.0820	0.000	1	115.7691	7.650	9	116.6756	4.490	22	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:3:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(COO)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|C<4>,2|O<1>,3|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(COO)(H){1|C<4>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|F<1>,1|N<3>,2|H<1>,4|C<3>}	118.4225	2.310	2	117.0053	6.615	4	115.7691	7.650	9	116.6756	4.490	22	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:3:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(COO)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|C<4>,2|O<1>,3|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(COO)(H){1|C<4>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	117.3870	0.000	1	117.0053	6.615	4	115.7691	7.650	9	116.6756	4.490	22	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:3:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(COO)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|O<1>,2|C<4>,3|C<3>,6|H<1>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(COO)(H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	113.7890	0.000	1	117.0053	6.615	4	115.7691	7.650	9	116.6756	4.490	22	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:3:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-3: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]C[5]CH)(H)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(COO)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]O)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(COO)(H){2|C<4>,3|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]O)2{2|C<4>,3|H<1>,4|C<3>}	118.4230	0.000	1	117.3175	2.444	2	117.0790	1.393	3	116.6756	4.490	22	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:3:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-3: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]C[5]CH)(H)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(COO)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]O)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,3|O<2>}	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(COO)(H){1|O<2>,2|C<3>,3|C<4>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]O)2{3|C<3>,3|C<4>,3|H<1>}	116.2120	0.000	1	117.3175	2.444	2	117.0790	1.393	3	116.6756	4.490	22	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:3:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CN[5]O)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CN[5]O)(H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	116.6020	0.000	1	116.6020	0.000	1	117.0790	1.393	3	116.6756	4.490	22	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:3:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5]H)(COO)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|O<1>,1|O<2>,4|C<3>,6|H<1>}	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5]H)(COO)(H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	117.0757	1.278	3	117.0757	1.634	3	117.0757	1.634	3	116.6756	4.490	22	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:3:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-4:H-1:	C[5]-4:C[6a]-3:N[5]-3: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]HH)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]HH)(H){4|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){5|C<3>,5|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	117.7940	0.000	1	117.7940	0.000	1	117.7940	0.000	1	116.6756	4.490	22	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:3:1:	4:3:3:	N[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5]C[5]MoC)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]H)(CNO)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](N[5]C[5]MoC)(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|O<2>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(N[5]C[5]H)(CNO)(H){1|Mo<6>,1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Mo<6>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	116.9130	0.000	1	116.9130	0.000	1	116.9130	0.000	1	116.6756	4.490	22	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:3:2:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	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]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)2(O[5]C[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)2(O[5]C[5]){1|C<4>,1|O<1>,3|H<1>,8|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	118.4005	0.555	2	118.3928	0.332	4	116.9173	4.215	7	116.6135	4.351	8	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:3:2:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	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]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)2(O[5]C[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)2(O[5]C[5]){1|C<4>,1|O<1>,5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	118.3850	0.830	2	118.3928	0.332	4	116.9173	4.215	7	116.6135	4.351	8	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:3:2:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	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)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)2(O[5]C[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)2(O[5]C[5]){1|O<1>,6|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){1|O<2>,4|C<3>,4|H<1>}	114.2525	1.027	2	114.2525	1.056	2	116.9173	4.215	7	116.6135	4.351	8	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:3:2:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	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)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)2(O[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)2(O[5]C[5]){1|O<1>,2|C<4>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|O<2>,4|C<3>,4|H<1>}	116.3450	0.000	1	116.3450	0.000	1	116.9173	4.215	7	116.6135	4.351	8	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:3:2:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]N[5]O)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]O)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(OH){1|O<1>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	114.4870	0.000	1	114.4870	0.000	1	114.4870	0.000	1	116.6135	4.351	8	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:3:3:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(CNO){1|O<1>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	116.0610	0.000	1	116.0610	0.000	1	116.9490	0.592	3	116.9490	0.592	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:3:3:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,2|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(COO){1|O<2>,4|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	117.3930	0.027	2	117.3930	0.001	2	116.9490	0.592	3	116.9490	0.592	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:3:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5]S)(COO)2	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|N<3>,1|O<1>,1|S<1>,3|H<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5]S)(COO)2{1|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|Br<1>,1|H<1>,1|N<3>,6|C<3>}	119.1210	0.000	1	119.1210	0.000	1	119.1210	0.000	1	118.8190	3.961	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:3:3:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]CC)(H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]H)(COO)2	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]CC)(H){1|Cl<1>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]H)(COO)2{2|H<1>,4|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	116.0070	0.000	1	116.0070	0.000	1	118.7183	5.881	3	118.8190	3.961	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:3:3:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]CC)(H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]H)(COO)2	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]CC)(H){1|O<1>,2|O<2>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]H)(COO)2{2|H<1>,4|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	119.4680	0.000	1	119.4680	0.000	1	118.7183	5.881	3	118.8190	3.961	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:3:3:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]N)(C[6a]C[6a]2)(C[5]N[5]CC)(H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]H)(COO)2	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6]C[6]N)(C[6a]C[6a]2)(C[5]N[5]CC)(H){1|Br<1>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]H)(COO)2{1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,2|H<1>,2|N<3>,4|C<3>}	120.6800	0.000	1	120.6800	0.000	1	118.7183	5.881	3	118.8190	3.961	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:3:4:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]O)(CH3)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,6|C<3>}	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[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<4>,3|C<3>,4|H<1>}	115.0535	0.023	2	115.0535	0.001	2	115.0535	0.001	2	115.0535	0.001	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:4:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CC[6a]HH)(H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	117.3090	0.000	1	117.3090	0.000	1	114.2389	2.242	10	115.2072	2.941	40	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:4:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-4: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]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CH3)(H){4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	113.0683	0.988	4	113.0683	0.976	4	114.2389	2.242	10	115.2072	2.941	40	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:4:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-4: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]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<4>,3|C<3>,4|H<1>}	114.8980	0.634	3	114.5614	0.456	5	114.2389	2.242	10	115.2072	2.941	40	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:4:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-4: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]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<4>,3|C<3>,4|H<1>}	114.0565	0.415	2	114.5614	0.456	5	114.2389	2.242	10	115.2072	2.941	40	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:4:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-4: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)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){3|C<3>,3|C<4>,3|H<1>}	116.7370	0.239	2	116.7370	0.057	2	115.5126	3.147	27	115.2072	2.941	40	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:4:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-4: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)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){3|C<3>,3|C<4>,3|H<1>}	116.0640	1.293	2	116.0640	1.671	2	115.5126	3.147	27	115.2072	2.941	40	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:4:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-4: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)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CO)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){3|C<3>,3|C<4>,3|H<1>}	116.8700	0.000	1	116.8700	0.000	1	115.5126	3.147	27	115.2072	2.941	40	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:4:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-4: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]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<4>,3|C<3>,4|H<1>}	114.6160	0.482	2	114.6160	0.233	2	115.5126	3.147	27	115.2072	2.941	40	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:4:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-4: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]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<1>,4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,4|C<3>,4|H<1>}	114.0880	0.000	1	116.2692	3.001	4	115.5126	3.147	27	115.2072	2.941	40	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:4:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-4: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]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<2>,4|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<4>,3|C<3>,4|H<1>}	116.5850	1.283	2	116.2692	3.001	4	115.5126	3.147	27	115.2072	2.941	40	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:4:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-4: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]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){4|C<3>,6|H<1>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<4>,3|C<3>,4|H<1>}	117.8190	0.000	1	116.2692	3.001	4	115.5126	3.147	27	115.2072	2.941	40	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:4:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-4: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]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|N<3>,4|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HN)(H){5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<4>,3|C<3>,4|H<1>}	112.9820	0.000	1	112.9820	0.000	1	115.5126	3.147	27	115.2072	2.941	40	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:4:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-4: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]CN)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CN)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CO)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	117.3110	0.000	1	117.3110	0.000	1	115.5126	3.147	27	115.2072	2.941	40	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:4:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-4: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]CO)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CO)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	118.3080	0.000	1	118.3080	0.000	1	115.5126	3.147	27	115.2072	2.941	40	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:4:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-4: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]CO)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CN)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CO)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CN)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	114.2620	0.000	1	114.2620	0.000	1	115.5126	3.147	27	115.2072	2.941	40	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:4:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-4: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]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,3|C<3>,5|H<1>}	114.8040	0.000	1	114.7827	5.034	4	115.5126	3.147	27	115.2072	2.941	40	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:4:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-4: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]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,3|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<3>,2|C<4>,5|H<1>}	116.1165	2.077	2	114.7827	5.034	4	115.5126	3.147	27	115.2072	2.941	40	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:4:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-4: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]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){4|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<3>,2|C<4>,5|H<1>}	112.0940	0.000	1	114.7827	5.034	4	115.5126	3.147	27	115.2072	2.941	40	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:4:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-4: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]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,4|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){2|C<3>,2|C<4>,5|H<1>}	116.2655	0.733	4	116.2655	0.537	4	115.5126	3.147	27	115.2072	2.941	40	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:4:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-4: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]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|S<2>,4|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|S<2>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[5]C[5]2H){2|C<3>,2|C<4>,5|H<1>}	111.9630	0.000	1	111.9630	0.000	1	115.5126	3.147	27	115.2072	2.941	40	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:4:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-4: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]HN)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HN)(H){5|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|N<3>,4|C<3>,5|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	113.5760	0.000	1	113.5760	0.000	1	115.5126	3.147	27	115.2072	2.941	40	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:4:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-4: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]O[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]HO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]CH)(H){1|O<2>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]HO)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	113.3500	0.000	1	113.3500	0.000	1	115.5126	3.147	27	115.2072	2.941	40	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:4:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-4: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]O[5]HO)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]HO)(H){3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]CH)(H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	116.1130	0.000	1	116.1130	0.000	1	115.5126	3.147	27	115.2072	2.941	40	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:4:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]H)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]CH)(H){3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]H)(CC[6a]HH)(H){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	115.6070	0.000	1	115.6070	0.000	1	115.6863	0.054	3	115.2072	2.941	40	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:4:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]H)(CF3)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]CH)(H){3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]H)(CF3)(H){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	115.5040	0.000	1	115.5040	0.000	1	115.6863	0.054	3	115.2072	2.941	40	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:4:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]H)(CHHO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]CH)(H){3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]H)(CHHO)(H){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	115.9480	0.000	1	115.9480	0.000	1	115.6863	0.054	3	115.2072	2.941	40	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:4:1:	4:3:3:	B[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](B[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[6a]B[5]H)(C[5]C[3]C[5])(CH3)(H)	C[6a](C[5]B[5]C[5]H)(C[6a]C[6a]F)2	C[5](B[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,2|F<1>,5|C<3>}	C[5](C[5]C[6a]B[5]H)(C[5]C[3]C[5])(CH3)(H){1|C<2>,1|H<1>,2|C<4>,4|C<3>}	C[6a](C[5]B[5]C[5]H)(C[6a]C[6a]F)2{1|C<2>,1|C<4>,1|H<1>,2|F<1>,4|C<3>}	118.4940	0.000	1	118.4940	0.000	1	118.4940	0.000	1	116.2742	11.456	10	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:4:1:	4:3:3:	C[3,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[3,5]C[3]C[5]N[3])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5](C[5]C[3,5]C[6a]H)(N[5]C[5]C)(CHHO)(H)	C[6a](C[5]C[3,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[3,5]C[3]C[5]N[3])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|C<4>,1|S<4>,2|C<3>,6|H<1>}	C[5](C[5]C[3,5]C[6a]H)(N[5]C[5]C)(CHHO)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5]C[3,5]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|N<3>,3|C<4>,3|H<1>}	111.2870	0.000	1	111.2870	0.000	1	111.2870	0.000	1	116.2742	11.456	10	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:4:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]H)(CF3)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|N<3>,1|O<1>,5|C<3>,5|H<1>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]H)(CF3)(H){1|C<4>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	113.1730	0.000	1	113.1730	0.000	1	117.8722	7.461	5	116.2742	11.456	10	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:4:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C-4: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]CH)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]S)(CHHN)(H)	C[6a](C[5]C[5,5]C[5]H)(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]CH)(H){1|N<3>,1|S<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]S)(CHHN)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	119.3210	0.000	1	119.3210	0.000	1	117.8722	7.461	5	116.2742	11.456	10	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:4:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]S)(CHHN)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|N<3>,1|S<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]S)(CHHN)(H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	118.6200	0.000	1	118.6200	0.000	1	117.8722	7.461	5	116.2742	11.456	10	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:4:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(CF3)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|N<2>,1|O<1>,3|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(CF3)(H){1|S<2>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,1|S<2>,2|C<3>,2|C<4>,3|H<1>}	119.1235	1.404	2	119.1235	1.970	2	117.8722	7.461	5	116.2742	11.456	10	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:4:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CH3)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|Br<1>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CH3)(H){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,4|H<1>}	111.2890	0.000	1	111.2890	0.000	1	114.5745	21.589	2	116.2742	11.456	10	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:4:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5]O)(CF3)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5]O)(CF3)(H){1|C<4>,4|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	117.8600	0.000	1	117.8600	0.000	1	114.5745	21.589	2	116.2742	11.456	10	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:4:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5](C[5]C[5,6]C[6a]H)(N[5]N[5,6]C)(CCHH)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[6,6a]N[5,6]H)(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5]C[5,6]C[6a]H)(N[5]N[5,6]C)(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|N<3>,4|H<1>}	114.4510	0.000	1	114.4510	0.000	1	114.4510	0.000	1	116.2742	11.456	10	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:4:2:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:O-2:	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]CO)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(OH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CO)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(OH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	117.1540	0.000	1	115.7675	3.845	2	115.7675	3.845	2	116.4094	1.815	5	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:4:2:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:O-2:	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]CO)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(OH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CO)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(OH){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	114.3810	0.000	1	115.7675	3.845	2	115.7675	3.845	2	116.4094	1.815	5	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:4:2:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:Si-4:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5]SiO)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(SiC3)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5]C[5]SiO)(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(SiC3)(OH){2|C<3>,3|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H){1|Si<4>,1|O<2>,3|H<1>,4|C<3>}	117.9900	0.000	1	117.9900	0.000	1	117.9900	0.000	1	116.4094	1.815	5	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:4:2:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-4:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]HH)(OH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|S<4>,4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]HH)(OH){1|S<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	116.2610	0.223	2	116.2610	0.050	2	116.2610	0.050	2	116.4094	1.815	5	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:4:2:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CO)(H)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CH3)(OH)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CO)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CH3)(OH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	117.5325	0.729	2	117.5325	0.531	2	117.5325	0.531	2	117.5325	0.531	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:4:3:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:N-3:	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]CN)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(NCH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CN)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(NCH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	114.1480	0.000	1	114.1480	0.000	1	114.1480	0.000	1	114.1480	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:4:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]N[5]CC)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(CF3)(COO)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]N[5]CC)(H){2|O<1>,4|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(CF3)(COO){1|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,2|H<1>,4|C<3>}	116.9070	0.000	1	116.9070	0.000	1	116.9070	0.000	1	116.5670	0.231	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:4:3:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[6,6a]N[5,6]C)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]O)(CHHS)(COO)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[6,6a]N[5,6]C)(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]O)(CHHS)(COO){1|C<2>,4|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<2>,1|C<4>,1|N<3>,2|H<1>,4|C<3>}	116.2270	0.000	1	116.2270	0.000	1	116.2270	0.000	1	116.5670	0.231	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:4:4:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:C-4:	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)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)(CH3)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)(CH3){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){3|C<3>,3|C<4>,3|H<1>}	115.6520	2.025	2	115.5943	1.753	4	115.2874	1.786	5	115.3419	1.470	8	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:4:4:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:C-4:	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)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)(CH3)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)(CH3){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){3|C<3>,3|C<4>,3|H<1>}	115.5365	1.070	2	115.5943	1.753	4	115.2874	1.786	5	115.3419	1.470	8	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:4:4:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:C-4:	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)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){3|C<3>,3|C<4>,3|H<1>}	114.0600	0.000	1	114.0600	0.000	1	115.2874	1.786	5	115.3419	1.470	8	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:4:4:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-4:C-4:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)(CCHH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,2|C<2>,3|H<1>,4|C<3>}	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[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<3>,3|C<4>,4|H<1>}	115.7220	1.615	2	115.7220	2.608	2	115.4327	1.555	3	115.3419	1.470	8	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:3:4:4:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-4:C-4:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)(CH3)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,2|C<2>,3|H<1>,4|C<3>}	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[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<3>,3|C<4>,4|H<1>}	114.8540	0.000	1	114.8540	0.000	1	115.4327	1.555	3	115.3419	1.470	8	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:1:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[4,5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[4,5]HH)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[4,5]C[4]2N[5])(C[5]C[6a]C[5]H)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[4,5]HH)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[4,5]C[4]2N[5])(C[5]C[6a]C[5]H)(H)2{1|C<4>,1|S<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	116.4600	1.932	2	116.4600	3.732	2	116.4600	3.732	2	115.3318	2.794	27	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:1:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(H)2{1|S<4>,2|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	116.8360	0.000	1	116.8360	0.000	1	117.0570	0.098	2	115.3318	2.794	27	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:1:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[6a]C[5]H)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(C[5]O[5]CH)(H){2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[6a]C[5]H)(H)2{1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	117.2780	0.000	1	117.2780	0.000	1	117.0570	0.098	2	115.3318	2.794	27	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:1:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5]H)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5]H)(H)2{1|C<4>,1|O<1>,3|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,2|C<3>,6|H<1>}	114.1413	2.107	3	114.1413	4.438	3	114.7574	2.970	5	115.3318	2.794	27	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:1:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]C[5]H)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]C[5]H)(H)2{1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	115.6815	0.395	2	115.6815	0.156	2	114.7574	2.970	5	115.3318	2.794	27	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:1:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5]NiH)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]NiH)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5]C[5]NiH)(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]NiH)(H)2{2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[5]C[5]2H){1|Ni<8>,2|C<4>,3|C<3>,5|H<1>}	114.9840	0.000	1	114.9840	0.000	1	115.1743	2.726	18	115.3318	2.794	27	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:1:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5]SiO)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5]SiO)(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<3>,6|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{1|Si<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|Si<4>,1|C<3>,1|O<2>,2|C<4>,4|H<1>}	113.8590	0.000	1	113.8590	0.000	1	115.1743	2.726	18	115.3318	2.794	27	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:1:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)2{1|C<4>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<4>,3|C<3>,4|H<1>}	116.3915	0.042	2	116.3915	0.002	2	115.1743	2.726	18	115.3318	2.794	27	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:1:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,2|C<2>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(H)2{1|C<4>,2|C<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<3>,3|C<4>,4|H<1>}	114.0993	2.221	3	114.0993	4.935	3	115.1743	2.726	18	115.3318	2.794	27	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:1:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-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]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,4|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){2|C<3>,2|C<4>,5|H<1>}	113.8148	0.287	4	113.8148	0.082	4	115.1743	2.726	18	115.3318	2.794	27	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:1:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-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]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|S<2>,4|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[5]C[5]2H){2|C<3>,2|C<4>,5|H<1>}	118.4470	0.000	1	118.4470	0.000	1	115.1743	2.726	18	115.3318	2.794	27	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:1:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-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]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<3>,2|C<4>,5|H<1>}	115.3900	0.000	1	115.3900	0.000	1	115.1743	2.726	18	115.3318	2.794	27	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:1:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-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]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,3|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(H)2{2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<3>,2|C<4>,5|H<1>}	116.0870	0.321	2	116.0870	0.103	2	115.1743	2.726	18	115.3318	2.794	27	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:1:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CO)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,2|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]CO)(H)2{5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	116.9435	0.773	2	116.9435	0.597	2	115.1743	2.726	18	115.3318	2.794	27	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:1:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(H)2{6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	114.0560	0.000	1	114.0560	0.000	1	115.1743	2.726	18	115.3318	2.794	27	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:1:1:	3:4:3:	C[5,6,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6,6]N[5,3x6]C[6,6]H)(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(H)	C[5](C[5]C[5,6,6]C[6a]H)(C[5]N[5,3x6]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6,6]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6,6]N[5,3x6]C[6,6]H)(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(H){3|C<3>,3|C<4>,5|H<1>}	C[5](C[5]C[5,6,6]C[6a]H)(C[5]N[5,3x6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6,6]C[5]H)(C[6a]C[6a]H){1|N<2>,1|N<4>,2|C<3>,2|C<4>,5|H<1>}	116.3960	0.000	1	116.3960	0.000	1	116.3960	0.000	1	116.3960	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:1:1:	4:3:3:	C[3,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-4: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]N[5]HH)(H)	C[5](C[5]C[3,5]C[6a]H)(N[5]C[3,5]CH)(H)2	C[6a](C[5]C[3,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[3,5]C[3,5]C[3]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H){2|C<3>,3|C<4>,4|H<1>}	C[5](C[5]C[3,5]C[6a]H)(N[5]C[3,5]CH)(H)2{2|C<3>,3|C<4>}	C[6a](C[5]C[3,5]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<4>,3|C<4>,4|H<1>}	111.6720	0.000	1	111.6720	0.000	1	111.6720	0.000	1	115.3113	4.988	77	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:1:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(H)2	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,7|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,5|H<1>}	114.7340	3.254	2	114.7340	10.589	2	116.5523	3.354	12	115.3113	4.988	77	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:1:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]O)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(H)2	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]O)(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,7|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	118.4670	0.000	1	118.4670	0.000	1	116.5523	3.354	12	115.3113	4.988	77	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:1:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]O[5]HO)(H)2	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>,4|O<2>}	C[5](C[5]C[5,5]C[6a]H)(C[5]O[5]HO)(H)2{1|C<4>,3|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	115.2580	0.000	1	115.2580	0.000	1	116.5523	3.354	12	115.3113	4.988	77	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:1:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HN)(H)2	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<3>,1|O<2>,3|H<1>,6|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HN)(H)2{2|O<2>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	115.8480	0.000	1	115.8480	0.000	1	116.5523	3.354	12	115.3113	4.988	77	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:1:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]S[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CO)(H)2	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]S[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,2|O<1>,3|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CO)(H)2{1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,5|H<1>}	115.7830	0.000	1	115.7830	0.000	1	116.5523	3.354	12	115.3113	4.988	77	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:1:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4: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]C[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CC)(H)2	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<3>,3|H<1>,6|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CC)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,4|H<1>}	115.6180	0.567	2	115.6180	0.322	2	116.5523	3.354	12	115.3113	4.988	77	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:1:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5]HH)(H)2	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<2>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5]HH)(H)2{5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	118.7760	0.000	1	118.7760	0.000	1	116.5523	3.354	12	115.3113	4.988	77	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:1:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CC)(H)2	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,7|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CC)(H)2{1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	117.3320	0.000	1	117.3320	0.000	1	116.5523	3.354	12	115.3113	4.988	77	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:1:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]O[5]2)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]O[5]HH)(H)2	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]O[5]2)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]O[5]HH)(H)2{1|O<2>,3|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|O<2>,4|H<1>}	118.2990	0.000	1	118.2990	0.000	1	116.5523	3.354	12	115.3113	4.988	77	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:1:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]C[6a]H)(H)2	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<4>,4|C<3>,5|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]C[6a]H)(H)2{1|H<1>,2|C<4>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<4>,2|C<4>,5|H<1>}	118.1610	0.000	1	118.1610	0.000	1	116.5523	3.354	12	115.3113	4.988	77	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:1:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]CC)(H)2	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]CC)(H)2{1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<4>,1|S<2>,2|C<3>,4|H<1>}	117.9760	0.000	1	117.9760	0.000	1	117.9760	0.000	1	115.3113	4.988	77	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:1:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-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]C[5]HH)(H)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,3|C<3>,7|H<1>}	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){2|C<3>,3|H<1>,4|C<4>}	115.6440	0.000	1	115.6440	0.000	1	114.6615	1.422	13	115.3113	4.988	77	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:1:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-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]C[5]HH)(H)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<3>,1|N<2>,2|C<4>,7|H<1>}	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,3|H<1>,4|C<4>}	116.3150	0.000	1	116.3150	0.000	1	114.6615	1.422	13	115.3113	4.988	77	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:1:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-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]C[5]HH)(H)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)(C[6a]O[6a]H)	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2{1|O<2>,2|C<4>,3|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)(C[6a]O[6a]H){2|C<3>,3|C<4>,3|H<1>}	115.0460	0.393	2	114.3260	1.013	4	114.6615	1.422	13	115.3113	4.988	77	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:1:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-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]C[5]HH)(H)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)(C[6a]O[6a]H)	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)(C[6a]O[6a]H){1|C<3>,3|H<1>,4|C<4>}	113.6060	0.901	2	114.3260	1.013	4	114.6615	1.422	13	115.3113	4.988	77	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:1:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]CO)(H)2	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]CO)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,5|H<1>}	114.6897	0.594	3	114.6897	0.353	3	114.6615	1.422	13	115.3113	4.988	77	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:1:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5]HH)(H)2	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|S<4>,2|C<3>,2|C<4>,8|H<1>}	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5]HH)(H)2{1|S<4>,2|C<3>,2|C<4>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	112.3840	0.000	1	112.3840	0.000	1	114.6615	1.422	13	115.3113	4.988	77	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:1:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[6]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6]C[6a]H)(C[5]O[5]HH)(H)2	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[6]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[5](C[5]C[5,6]C[6a]H)(C[5]O[5]HH)(H)2{2|C<3>,2|C<4>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	113.5670	0.000	1	113.5670	0.000	1	114.6615	1.422	13	115.3113	4.988	77	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:1:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]CH)(H)2	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<4>,2|C<4>,5|H<1>}	115.6580	0.890	2	115.6580	0.791	2	114.6615	1.422	13	115.3113	4.988	77	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:1:1:	4:3:3:	N[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]C[6a]H)(H)2	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](N[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<4>,3|C<3>,6|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]C[6a]H)(H)2{1|H<1>,2|C<4>,5|C<3>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,4|H<1>}	117.4800	0.000	1	117.4800	0.000	1	117.4800	0.000	1	115.3113	4.988	77	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:1:1:	4:3:3:	N[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5]C[5]IrH)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[5]IrH)(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|Ir<8>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Ir<8>,1|C<3>,2|C<4>,5|H<1>}	114.3420	2.234	2	114.3420	4.993	2	114.3995	1.027	8	115.3113	4.988	77	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:1:1:	4:3:3:	N[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5]C[5]IrH)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[5](N[5]C[5]IrH)(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|Ir<8>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Ir)(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	114.3935	0.586	2	114.3935	0.344	2	114.3995	1.027	8	115.3113	4.988	77	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:1:1:	4:3:3:	N[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5]C[5]RhH)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[5]RhH)(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|Rh<8>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Rh<8>,1|C<3>,2|C<4>,5|H<1>}	114.4695	1.354	2	114.4695	1.834	2	114.3995	1.027	8	115.3113	4.988	77	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:1:1:	4:3:3:	N[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5]C[5]RhH)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Rh)(C[6a]C[6a]H)	C[5](N[5]C[5]RhH)(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)2{1|Rh<8>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]Rh)(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	114.3930	0.068	2	114.3930	0.005	2	114.3995	1.027	8	115.3113	4.988	77	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:1:1:	4:3:3:	P[5]-4:C[6a]-3:C[5]-4:H-1:	B[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](P[5]C[6a]2N[5])(C[6a]C[6a]2)(C[5]B[5]HH)(H)	C[5](B[5]C[6a]2N[5])(C[5]C[6a]P[5]H)(H)2	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2	C[5](P[5]C[6a]2N[5])(C[6a]C[6a]2)(C[5]B[5]HH)(H){1|O<1>,2|H<1>,8|C<3>}	C[5](B[5]C[6a]2N[5])(C[5]C[6a]P[5]H)(H)2{1|O<1>,8|C<3>}	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2{1|B<4>,1|N<3>,3|C<3>,4|H<1>}	114.1210	0.000	1	114.6840	0.634	2	114.7773	0.343	3	115.3113	4.988	77	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:1:1:	4:3:3:	P[5]-4:C[6a]-3:C[5]-4:H-1:	B[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](P[5]C[6a]2N[5])(C[6a]C[6a]2)(C[5]B[5]HH)(H)	C[5](B[5]C[6a]2N[5])(C[5]C[6a]P[5]H)(H)2	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2	C[5](P[5]C[6a]2N[5])(C[6a]C[6a]2)(C[5]B[5]HH)(H){1|O<2>,2|H<1>,8|C<3>}	C[5](B[5]C[6a]2N[5])(C[5]C[6a]P[5]H)(H)2{1|O<2>,8|C<3>}	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2{1|B<4>,1|N<3>,3|C<3>,4|H<1>}	115.2470	0.000	1	114.6840	0.634	2	114.7773	0.343	3	115.3113	4.988	77	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:1:1:	4:3:3:	P[5]-4:C[6a]-3:C[5]-4:H-1:	B[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](P[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]B[5]HH)(H)	C[5](B[5]C[6a]2O[5])(C[5]C[6a]P[5]H)(H)2	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2	C[5](P[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]B[5]HH)(H){2|H<1>,8|C<3>}	C[5](B[5]C[6a]2O[5])(C[5]C[6a]P[5]H)(H)2{8|C<3>}	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2{1|B<4>,1|O<2>,3|C<3>,4|H<1>}	114.9640	0.000	1	114.9640	0.000	1	114.7773	0.343	3	115.3113	4.988	77	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:1:1:	4:3:3:	P[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](P[5]C[5]NiC)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2	C[5](P[5]C[5]NiC)(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2{1|Ni<4>,1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2{1|Ni<4>,1|C<3>,3|C<4>,4|H<1>}	115.8088	0.976	4	115.8088	0.953	4	115.3443	7.045	38	115.3113	4.988	77	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:1:1:	4:3:3:	P[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](P[5]C[5]PtC)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2	C[5](P[5]C[5]PtC)(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2{1|Pt<4>,1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2{1|Pt<4>,1|C<3>,3|C<4>,4|H<1>}	115.4890	1.053	4	115.4890	1.109	4	115.3443	7.045	38	115.3113	4.988	77	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:1:1:	4:3:3:	P[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](P[5]C[5]RhC)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2	C[5](P[5]C[5]RhC)(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2{1|Rh<4>,1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2{1|Rh<4>,1|C<3>,3|C<4>,4|H<1>}	115.4778	2.831	16	115.6632	6.837	20	115.3443	7.045	38	115.3113	4.988	77	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:1:1:	4:3:3:	P[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](P[5]C[5]RhC)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2	C[5](P[5]C[5]RhC)(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2{1|Rh<6>,1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2{1|Rh<6>,1|C<3>,3|C<4>,4|H<1>}	116.4048	1.516	4	115.6632	6.837	20	115.3443	7.045	38	115.3113	4.988	77	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:1:1:	4:3:3:	P[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](P[5]C[5]RuC)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2	C[5](P[5]C[5]RuC)(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2{1|Ru<7>,1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2{1|Ru<7>,1|C<3>,3|C<4>,4|H<1>}	113.4030	3.409	4	113.4030	11.623	4	115.3443	7.045	38	115.3113	4.988	77	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:1:1:	4:3:3:	P[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](P[5]C[5]RuC)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]Ru)(C[6a]C[6a]H)	C[5](P[5]C[5]RuC)(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2{1|Ru<7>,1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]Ru)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	116.7440	0.000	1	116.7440	0.000	1	115.3443	7.045	38	115.3113	4.988	77	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:1:1:	4:3:3:	P[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](P[5]C[5]RuC)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]Si)(C[6a]C[6a]H)	C[5](P[5]C[5]RuC)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|Si<4>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2{1|Ru<7>,1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]Si)(C[6a]C[6a]H){1|Ru<7>,1|C<3>,3|C<4>,4|H<1>}	109.1410	0.000	1	109.1410	0.000	1	115.3443	7.045	38	115.3113	4.988	77	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:1:1:	4:3:3:	P[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](P[5]C[6a]C[5]Rh)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2	C[5](P[5]C[6a]C[5]Rh)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<2>,4|C<3>,5|H<1>}	C[5](C[5]C[6a]P[5]H)(C[5]C[5]HH)(H)2{1|Rh<4>,1|H<1>,4|C<3>}	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2{1|Rh<4>,2|C<3>,2|C<4>,4|H<1>}	116.2832	3.038	4	116.2832	9.229	4	115.3443	7.045	38	115.3113	4.988	77	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:2:1:	4:3:3:	C[3,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[3,5]C[3,5]C[3]O)(C[6a]C[6a]2)(C[5]C[5]HO)(H)	C[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]HH)(OC)(H)	C[6a](C[5]C[3,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[3,5]C[3,5]C[3]O)(C[6a]C[6a]2)(C[5]C[5]HO)(H){3|C<3>,6|H<1>}	C[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]HH)(OC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5]C[3,5]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|O<2>,3|C<4>,3|H<1>}	113.5470	0.000	1	113.5470	0.000	1	113.5470	0.000	1	114.1560	2.637	6	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:2:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HO)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]HO)(OH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]C)	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HO)(H){1|O<2>,3|C<3>,3|C<4>,6|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]C){1|C<3>,1|N<3>,2|H<1>,2|O<2>,3|C<4>}	115.5780	0.000	1	115.5780	0.000	1	115.5780	0.000	1	114.1560	2.637	6	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:2:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-2: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]CH)(H)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(CN)(H)	C[6a](C[5]C[5,6]C[5]H)(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]CH)(H){1|C<4>,4|H<1>,5|C<3>}	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(CN)(H){1|C<4>,1|O<2>,4|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<2>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	111.7280	0.000	1	111.7280	0.000	1	111.7280	0.000	1	114.1560	2.637	6	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:2:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:O-2: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]C[5]HO)(H)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(OC)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)(C[6a]O[6a]H)	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HO)(H){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(OC)(H){1|O<2>,2|C<3>,3|C<4>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)(C[6a]O[6a]H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	114.8090	0.000	1	114.8090	0.000	1	114.6943	2.015	3	114.1560	2.637	6	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:2:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:O-2: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]C[5]HO)(H)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(OH)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)(C[6a]O[6a]H)	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HO)(H){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(OH)(H){1|O<2>,2|C<3>,3|C<4>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)(C[6a]O[6a]H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	114.6370	2.003	2	114.6370	4.010	2	114.6943	2.015	3	114.1560	2.637	6	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:2:2:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-2:C-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CN)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|N<2>,4|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CN)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<2>,2|C<3>,2|C<4>,3|H<1>}	114.2580	0.378	2	114.2580	0.143	2	114.2580	0.143	2	113.7405	0.649	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:2:2:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:N[5]-2:C-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5]N[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]N[5]C)(N[5]C[5])(CN)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5]N[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<2>,1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]N[5]C)(N[5]C[5])(CN){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,1|C<4>,1|N<2>,2|C<3>,4|H<1>}	113.2230	0.857	2	113.2230	0.734	2	113.2230	0.734	2	113.7405	0.649	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:2:2:	4:3:3:	C[3x5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-2:C-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[3x5]C[5,5,6]2C[5])(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[5](C[5]C[3x5]C[6a]H)(C[5]C[5]HH)(CN)2	C[6a](C[5]C[3x5]C[5]H)(C[6a]C[6a]H)2	C[5](C[3x5]C[5,5,6]2C[5])(C[6a]C[6a]2)(C[5]C[5]CC)(H){2|C<4>,5|C<3>,7|H<1>}	C[5](C[5]C[3x5]C[6a]H)(C[5]C[5]HH)(CN)2{1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5]C[3x5]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<2>,2|H<1>,4|C<4>}	111.5010	0.000	1	111.5010	0.000	1	111.5010	0.000	1	111.5010	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CCO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]CH)(H){3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CCO)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	113.0290	0.000	1	113.0290	0.000	1	114.0111	4.415	15	114.5515	4.677	33	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]CH)(H){3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[6a]O)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	114.9940	0.000	1	114.5070	0.474	2	114.0111	4.415	15	114.5515	4.677	33	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]CH)(H){3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[6a]O)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	114.0200	0.000	1	114.5070	0.474	2	114.0111	4.415	15	114.5515	4.677	33	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CHO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]CH)(H){3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CHO)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	115.2740	0.000	1	115.2740	0.000	1	114.0111	4.415	15	114.5515	4.677	33	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[6a]C[5]H)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[6a]C[5]H)(CC[5]O)(H){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	111.9990	0.849	2	111.9990	0.720	2	114.0111	4.415	15	114.5515	4.677	33	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[6a]O)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	119.5140	0.000	1	117.5205	7.948	2	114.0111	4.415	15	114.5515	4.677	33	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[6a]O)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	115.5270	0.000	1	117.5205	7.948	2	114.0111	4.415	15	114.5515	4.677	33	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[6a]O)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	113.2860	1.895	4	113.4016	2.381	7	114.0111	4.415	15	114.5515	4.677	33	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[6a]O)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	113.5557	1.301	3	113.4016	2.381	7	114.0111	4.415	15	114.5515	4.677	33	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,2|O<1>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,3|C<3>,5|H<1>}	112.1670	0.014	2	112.1670	0.000	2	113.9847	9.912	3	114.5515	4.677	33	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<2>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5]O[5]2)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	117.6200	0.000	1	117.6200	0.000	1	113.9847	9.912	3	114.5515	4.677	33	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:N-3:Br-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5]BrN)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(NOO)(Br)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]BrN)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(NOO)(Br){1|C<4>,1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|Br<1>,1|C<3>,1|C<4>,2|N<3>,4|H<1>}	119.1825	0.695	2	119.1825	0.483	2	119.1825	0.483	2	114.5515	4.677	33	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:N-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5]HN)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(NOO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]HN)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(NOO)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|C<4>,2|N<3>,5|H<1>}	114.7185	2.037	2	114.7185	4.150	2	114.7185	4.150	2	114.5515	4.677	33	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3: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]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|N<3>,4|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO)(H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<4>,3|C<3>,4|H<1>}	114.6850	0.000	1	115.7410	2.230	2	115.4240	0.848	5	114.5515	4.677	33	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3: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]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){4|C<3>,6|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO)(H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<4>,3|C<3>,4|H<1>}	116.7970	0.000	1	115.7410	2.230	2	115.4240	0.848	5	114.5515	4.677	33	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3: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]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<2>,4|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(CC[6a]O)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<4>,3|C<3>,4|H<1>}	115.0090	0.000	1	115.0090	0.000	1	115.4240	0.848	5	114.5515	4.677	33	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3: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]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(COO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<2>,4|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(COO)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<4>,3|C<3>,4|H<1>}	115.9330	0.000	1	115.9330	0.000	1	115.4240	0.848	5	114.5515	4.677	33	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(CCO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]CH)(H){3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(CCO)(H){6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	114.6960	0.000	1	114.6960	0.000	1	115.4240	0.848	5	114.5515	4.677	33	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[6a]-3: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]CH)(H)	C[5](C[5]C[5a]C[5]C)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[5a]C[5]C)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<4>,3|C<3>,4|H<1>}	114.0120	1.129	2	113.8117	0.757	3	113.8117	0.757	3	114.5515	4.677	33	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[6a]-3: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]CH)(H)	C[5](C[5]C[5a]C[5]C)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[5a]C[5]C)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<4>,3|C<3>,4|H<1>}	113.4110	0.000	1	113.8117	0.757	3	113.8117	0.757	3	114.5515	4.677	33	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:N-3:Cl-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5]ClN)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(NOO)(Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5]C[5]ClN)(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(NOO)(Cl){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H){1|Cl<1>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	112.4540	0.000	1	112.4540	0.000	1	112.4540	0.000	1	114.5515	4.677	33	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:N-3: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]HN)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(NOO)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HN)(H){5|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(NOO)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[5]C[5]2H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	115.0470	0.000	1	115.0470	0.000	1	114.6340	0.341	2	114.5515	4.677	33	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]CH)(NOO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|O<2>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]O[5]CH)(NOO)(H){4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	114.2210	0.000	1	114.2210	0.000	1	114.6340	0.341	2	114.5515	4.677	33	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(COO)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>,4|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(COO)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	115.7870	0.000	1	115.7870	0.000	1	116.4533	1.457	13	116.6688	2.646	33	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HO)(COO)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|S<2>,2|O<2>,3|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HO)(COO)(H){2|O<2>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	116.3910	2.369	2	117.1273	4.432	3	116.4533	1.457	13	116.6688	2.646	33	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HO)(COO)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){3|H<1>,3|O<2>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HO)(COO)(H){2|O<2>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	118.6000	0.000	1	117.1273	4.432	3	116.4533	1.457	13	116.6688	2.646	33	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HO)(COO)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){2|O<2>,3|H<1>,6|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HO)(COO)(H){2|O<2>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	117.0120	0.000	1	117.0120	0.000	1	116.4533	1.457	13	116.6688	2.646	33	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]O[5]CO)(COO)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,6|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]O[5]CO)(COO)(H){4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	117.2390	0.000	1	117.2390	0.000	1	116.4533	1.457	13	116.6688	2.646	33	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(CHO)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|Cl<1>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(CHO)(H){2|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	115.8160	0.000	1	115.8160	0.000	1	116.4533	1.457	13	116.6688	2.646	33	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(CHO)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|N<3>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(CHO)(H){2|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<4>,3|H<1>,4|C<3>}	116.3330	0.000	1	116.3330	0.000	1	116.4533	1.457	13	116.6688	2.646	33	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(COO)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|F<1>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(COO)(H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|Cl<1>,2|C<4>,2|H<1>,4|C<3>}	115.7835	0.767	2	115.7835	0.589	2	116.4533	1.457	13	116.6688	2.646	33	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(CHO)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<1>,1|O<2>,4|C<3>,5|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(CHO)(H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<2>,2|C<4>,3|C<3>,3|H<1>}	116.9575	0.933	2	116.9575	0.870	2	116.4533	1.457	13	116.6688	2.646	33	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]C[6a]H)(COO)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]C[6a]H)(COO)(H){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	114.8420	0.000	1	114.8420	0.000	1	116.4533	1.457	13	116.6688	2.646	33	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]N[5]H)(C[5]C[5]N[5])(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]2H)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]N[5]H)(C[5]C[5]N[5])(H){1|H<1>,2|C<4>,8|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	118.1560	1.861	2	118.1560	3.464	2	118.1560	3.464	2	116.6688	2.646	33	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]2N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5]CH)(NOO)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]2N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|C<4>,1|N<2>,4|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5]CH)(NOO)(H){1|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|N<3>,3|C<3>,3|H<1>}	114.6560	0.000	1	114.6560	0.000	1	117.0633	1.248	14	116.6688	2.646	33	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(NOO)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(NOO)(H){2|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	117.0587	0.612	3	117.3113	0.505	4	117.0633	1.248	14	116.6688	2.646	33	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(NOO)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|N<3>,1|O<1>,5|C<3>,5|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(NOO)(H){2|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	118.0690	0.000	1	117.3113	0.505	4	117.0633	1.248	14	116.6688	2.646	33	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CO)(NOO)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CO)(NOO)(H){2|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	118.5930	0.000	1	118.5930	0.000	1	117.0633	1.248	14	116.6688	2.646	33	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]N[5]H)(NOO)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]N[5]H)(NOO)(H){6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|N<3>,3|C<3>,3|H<1>}	117.5320	0.000	1	117.7085	0.062	2	117.0633	1.248	14	116.6688	2.646	33	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]N[5]H)(NOO)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]N[5]H)(NOO)(H){1|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|N<3>,3|C<3>,3|H<1>}	117.8850	0.000	1	117.7085	0.062	2	117.0633	1.248	14	116.6688	2.646	33	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]N[5]H)(NOO)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]N[5]H)(NOO)(H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|N<3>,3|H<1>}	117.5325	0.511	2	117.0052	1.043	5	117.0633	1.248	14	116.6688	2.646	33	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]N[5]H)(NOO)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,6|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]N[5]H)(NOO)(H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|N<3>,3|H<1>}	116.1250	0.000	1	117.0052	1.043	5	117.0633	1.248	14	116.6688	2.646	33	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]N[5]H)(NOO)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|O<1>,5|C<3>,6|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]N[5]H)(NOO)(H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|N<3>,3|H<1>}	116.9180	1.601	2	117.0052	1.043	5	117.0633	1.248	14	116.6688	2.646	33	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5]HH)(NOO)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|Cl<1>,1|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5]HH)(NOO)(H){1|C<4>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	115.9490	0.000	1	115.9490	0.000	1	117.0633	1.248	14	116.6688	2.646	33	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:3:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]N[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]C[4]H)(NOO)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]N[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]HN)(H){2|C<4>,3|C<3>,5|H<1>}	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]C[4]H)(NOO)(H){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|N<3>,3|H<1>}	112.5070	0.000	1	112.5070	0.000	1	112.5070	0.000	1	116.6688	2.646	33	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:3:1:	4:3:3:	C[5]-4:C[6a]-3:N[5]-4:H-1:	C[5]-4:N[5]-4:C[6a]-3: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]HS)(H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]FeH)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]HS)(H){1|Fe<6>,4|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[5]FeH)(C[6a]C[6a]2)(H){1|S<4>,4|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<4>,1|S<4>,2|C<3>,4|H<1>}	112.3360	0.000	1	112.3360	0.000	1	112.3360	0.000	1	116.6688	2.646	33	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:3:1:	4:3:3:	C[5]-4:C[6a]-3:P[5]-4:H-1:	B[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]B[5]H)(C[6a]C[6a]2)(P[5]N[5]CC)(H)	C[5](B[5]C[6a]2N[5])(C[5]C[6a]P[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]B[5]H)(C[6a]C[6a]2)(P[5]N[5]CC)(H){2|H<1>,7|C<3>}	C[5](B[5]C[6a]2N[5])(C[5]C[6a]P[5]H)(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,9|C<3>}	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2{1|B<4>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	118.4490	0.000	1	118.4490	0.000	1	118.4490	0.000	1	116.6688	2.646	33	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:3:1:	4:3:3:	N[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](N[5]C[5]CuH)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](N[5]C[5]CuH)(C[6a]C[6a]2)(C[5]C[5]CH)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(H){1|Cu<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Cu<4>,2|C<3>,2|C<4>,4|H<1>}	117.6870	0.000	1	117.6870	0.000	1	117.6870	0.000	1	116.6688	2.646	33	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:3:2:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-3:C-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[5a]O)(CN)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[5a]O)(CN){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(C[5]C[5]2H){1|C<2>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	113.3730	0.000	1	113.3730	0.000	1	115.7410	4.311	3	115.7410	4.311	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:3:2:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-3:C-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[5a]O)(CN)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[5a]O)(CN){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]C[5]2H){1|C<2>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	117.2490	0.000	1	117.2490	0.000	1	115.7410	4.311	3	115.7410	4.311	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:3:2:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-3:C-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(COO)(CN)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(COO)(CN){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,1|C<4>,1|N<3>,2|C<3>,4|H<1>}	116.6010	0.000	1	116.6010	0.000	1	115.7410	4.311	3	115.7410	4.311	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:3:2:	4:3:3:	C[3x5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:C-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[3x5]C[5,5,6]2C[5])(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[5](C[5]C[3x5]C[6a]H)(C[5]C[5]HH)(COO)(CN)	C[6a](C[5]C[3x5]C[5]H)(C[6a]C[6a]H)2	C[5](C[3x5]C[5,5,6]2C[5])(C[6a]C[6a]2)(C[5]C[5]CC)(H){2|C<4>,5|C<3>,7|H<1>}	C[5](C[5]C[3x5]C[6a]H)(C[5]C[5]HH)(COO)(CN){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5]C[3x5]C[5]H)(C[6a]C[6a]H)2{1|C<2>,2|C<3>,2|H<1>,4|C<4>}	113.8560	0.000	1	113.8560	0.000	1	113.8560	0.000	1	113.8560	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:3:3:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-3:N-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5]CN)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[6a]C[5]H)(COO)(NCH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]CN)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[6a]C[5]H)(COO)(NCH){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	113.5710	0.000	1	113.5710	0.000	1	113.5710	0.000	1	113.5710	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:3:3:	4:3:3:	C[3,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[3,5]C[3,5]C[3]N)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]HH)(COO)2	C[6a](C[5]C[3,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[3,5]C[3,5]C[3]N)(C[6a]C[6a]2)(C[5]C[5]CC)(H){2|C<3>,7|H<1>}	C[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]HH)(COO)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5]C[3,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>,3|C<4>}	111.7950	0.000	1	111.7950	0.000	1	111.7950	0.000	1	117.0364	5.875	21	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:3:3:	4:3:3:	C[4,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[4,5]C[4,5]C[4]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[5](C[5]C[4,5]C[6a]H)(C[5]C[4,5]HH)(COO)2	C[6a](C[5]C[4,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[4,5]C[4,5]C[4]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[4,5]C[6a]H)(C[5]C[4,5]HH)(COO)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5]C[4,5]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	114.3970	0.000	1	114.3970	0.000	1	114.3970	0.000	1	117.0364	5.875	21	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:3:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(COO)2	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|C<4>,1|N<2>,5|C<3>,5|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(COO)2{1|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,5|C<3>}	118.6248	1.332	4	118.5858	1.338	5	118.5263	1.091	6	117.0364	5.875	21	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:3:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(COO)2	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|N<2>,5|C<3>,6|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(COO)2{1|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,5|C<3>}	118.4300	0.000	1	118.5858	1.338	5	118.5263	1.091	6	117.0364	5.875	21	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:3:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(COO)2	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|O<1>,5|C<3>,5|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(COO)2{1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,2|H<1>,4|C<3>}	118.2290	0.000	1	118.2290	0.000	1	118.5263	1.091	6	117.0364	5.875	21	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:3:3:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:N-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CN)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(COO)(NOO)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CN)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(COO)(NOO){2|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,2|H<1>,4|C<3>}	117.9090	1.161	4	117.9090	1.348	4	117.9090	1.348	4	117.0364	5.875	21	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:3:3:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(COO)2	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|O<1>,1|O<2>,3|C<3>,5|H<1>}	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(COO)2{2|H<1>,4|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	114.1880	1.962	4	114.9806	6.028	5	116.5310	6.861	9	117.0364	5.875	21	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:3:3:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(COO)2	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H){5|C<3>,6|H<1>}	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(COO)2{1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	118.1510	0.000	1	114.9806	6.028	5	116.5310	6.861	9	117.0364	5.875	21	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:3:3:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5]HH)(COO)2	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]C[5]CC)(H){5|C<3>,6|H<1>}	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5]HH)(COO)2{5|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,6|C<3>}	119.3880	0.434	2	118.4690	1.246	4	116.5310	6.861	9	117.0364	5.875	21	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:3:3:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5]HH)(COO)2	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]C[5]CC)(H){5|C<3>,7|H<1>}	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5]HH)(COO)2{1|H<1>,5|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,5|C<3>}	117.5500	0.414	2	118.4690	1.246	4	116.5310	6.861	9	117.0364	5.875	21	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:4:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:Si-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5]SiH)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(SiC[6a]2C)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5]SiH)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|S<4>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(SiC[6a]2C)(H){1|S<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|Si<4>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	112.8570	0.000	1	112.8570	0.000	1	112.8570	0.000	1	112.8570	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:4:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(CHHO)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,3|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(CHHO)(H){1|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	113.8833	0.238	4	113.8833	0.057	4	114.4408	2.602	6	114.2399	2.451	7	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:4:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(CHHO)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|N<3>,2|O<1>,3|C<3>,3|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(CHHO)(H){1|N<2>,1|O<1>,3|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<2>,2|C<4>,3|C<3>,3|H<1>}	117.6900	0.000	1	117.6900	0.000	1	114.4408	2.602	6	114.2399	2.451	7	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:4:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(CCHH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|N<2>,2|O<1>,3|C<3>,4|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(CCHH)(H){1|O<1>,1|S<2>,3|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|S<2>,2|C<4>,3|C<3>,3|H<1>}	113.4220	0.000	1	113.4220	0.000	1	114.4408	2.602	6	114.2399	2.451	7	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:4:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]HH)(CH3)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[6,6a]N[5,6]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,4|C<3>,5|H<1>}	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]HH)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<4>,2|C<3>,2|C<4>,4|H<1>}	113.0340	0.000	1	113.0340	0.000	1	113.0340	0.000	1	114.2399	2.451	7	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:4:2:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:Si-4:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5]SiO)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SiC3)(OC)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5]SiO)(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<3>,6|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SiC3)(OC){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|Si<4>,1|C<3>,1|O<2>,2|C<4>,4|H<1>}	112.2570	0.000	1	112.2570	0.000	1	112.2570	0.000	1	112.2570	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:4:3:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:C-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CCHH)(CCO)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CCHH)(CCO){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	119.5880	0.000	1	119.5880	0.000	1	118.0901	3.058	10	117.4840	3.308	14	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:4:3:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:C-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[6a]HH)(COO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|Cl<1>,1|C<4>,1|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[6a]HH)(COO){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]C[5]2H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	117.2683	1.011	3	117.2683	1.022	3	118.0901	3.058	10	117.4840	3.308	14	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:4:3:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:C-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[6a]HH)(COO)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[6a]HH)(COO){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|Br<1>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	118.1120	0.000	1	120.0220	7.296	2	118.0901	3.058	10	117.4840	3.308	14	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:4:3:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:C-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[6a]HH)(COO)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[6a]HH)(COO){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	121.9320	0.000	1	120.0220	7.296	2	118.0901	3.058	10	117.4840	3.308	14	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:4:3:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:C-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CHHN)(COO)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CHHN)(COO){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	115.7330	0.000	1	115.7330	0.000	1	118.0901	3.058	10	117.4840	3.308	14	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:4:3:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:C-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CN[5a]HH)(COO)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CN[5a]HH)(COO){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	117.5020	0.000	1	117.5020	0.000	1	118.0901	3.058	10	117.4840	3.308	14	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:4:3:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:C-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(CCHH)(CCO)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(CCHH)(CCO){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	118.1145	0.738	2	118.1145	0.544	2	118.0901	3.058	10	117.4840	3.308	14	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:4:3:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:N-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5]CN)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CH3)(NOO)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]CN)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CH3)(NOO){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	115.4565	0.527	2	115.4565	0.278	2	115.9688	0.874	4	117.4840	3.308	14	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:1:	4:4:4:3:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:N-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5]CN)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CHHO)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5]C[5,5]CN)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|H<1>,2|C<4>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CHHO)(NOO){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	116.4810	1.138	2	116.4810	1.296	2	115.9688	0.874	4	117.4840	3.308	14	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:2:	4:2:1:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:O-2:	C[5]-4:S[5]-2:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]S[5]HH)(OH)	C[5](C[5]C[6a]C[5]O)(S[5]C[5])(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]S[5]HH)(OH){4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]O)(S[5]C[5])(H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|C<4>,1|S<2>,2|C<3>,5|H<1>}	111.9595	1.377	2	111.9595	1.895	2	111.9595	1.895	2	111.9595	1.895	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:2:	4:2:1:1:	4:3:3:	C[3,5]-4:C[6a]-3:C[5]-4:O-2:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[3,5]C[3]C[5]O[3])(C[6a]C[6a]2)(C[5]O[5]HH)(OH)	C[5](C[5]C[3,5]C[6a]O)(O[5]C[5])(H)2	C[6a](C[5]C[3,5]C[5]O)(C[6a]C[6a]H)2	C[5](C[3,5]C[3]C[5]O[3])(C[6a]C[6a]2)(C[5]O[5]HH)(OH){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[3,5]C[6a]O)(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5]C[3,5]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|O<2>,4|H<1>}	111.0100	0.000	1	111.0100	0.000	1	111.0100	0.000	1	111.0100	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:2:	4:3:1:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:O-2:	C[5]-4:C[5]-3: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)(OH)	C[5](C[5]C[6a]C[5]O)(C[5]N[5]O)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(OH){1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]O)(C[5]N[5]O)(H)2{1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|N<3>,3|C<3>,5|H<1>}	113.1510	0.000	1	113.9915	1.413	2	113.9915	1.413	2	113.9400	0.900	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:2:	4:3:1:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:O-2:	C[5]-4:C[5]-3: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)(OH)	C[5](C[5]C[6a]C[5]O)(C[5]N[5]O)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(OH){1|O<1>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]O)(C[5]N[5]O)(H)2{2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|N<3>,3|C<3>,5|H<1>}	114.8320	0.000	1	113.9915	1.413	2	113.9915	1.413	2	113.9400	0.900	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:2:	4:3:1:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:O-2:	C[5]-4:N[5]-3: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]N[5]HH)(OH)	C[5](C[5]C[6a]C[5]O)(N[5]C[5]S)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]HH)(OH){1|S<4>,4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]O)(N[5]C[5]S)(H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	113.8885	1.129	2	113.8885	1.275	2	113.8885	1.275	2	113.9400	0.900	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:2:	4:3:2:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:C-2:	C[5]-4:C[6a]-3:N[5]-2: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)(CN)	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5])(H)	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)(CN){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5])(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	119.0120	0.000	1	119.0120	0.000	1	119.0120	0.000	1	114.2537	17.144	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:2:	4:3:2:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:O-2:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(OH)	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(OH){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	111.4710	0.000	1	111.8745	0.326	2	111.8745	0.326	2	114.2537	17.144	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:2:	4:3:2:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:O-2:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(OH)	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(OH){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|O<2>,4|C<3>,4|H<1>}	112.2780	0.000	1	111.8745	0.326	2	111.8745	0.326	2	114.2537	17.144	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:2:	4:3:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:C-2:	C[5]-4:C[6a]-3:N[5]-3: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)(CN)	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]H)(H)	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)(CN){1|C<4>,3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,4|H<1>,5|C<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>}	115.6070	0.000	1	115.6070	0.000	1	112.0910	2.622	9	112.4753	2.934	12	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:2:	4:3:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:C-2:	C[5]-4:C[6a]-3:N[5]-3: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)(CN)	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]N)(H)	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)(CN){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]N)(H){1|C<4>,4|C<3>,5|H<1>}	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>}	111.6515	1.005	8	111.6515	1.010	8	112.0910	2.622	9	112.4753	2.934	12	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:2:	4:3:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:O-2:	C[5]-4:C[5]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(OH)	C[5](C[5]C[6a]C[5]O)(C[5]O[5]O)(CHH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(OH){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]O)(C[5]O[5]O)(CHH)(H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|O<2>,4|C<3>,4|H<1>}	115.4680	0.000	1	115.4680	0.000	1	115.4680	0.000	1	112.4753	2.934	12	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:2:	4:3:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:O-2:	C[5]-4:C[6a]-3:N[5]-3: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)(OH)	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(OH){1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|N<3>,3|C<3>,5|H<1>}	112.0370	0.000	1	112.0370	0.000	1	112.7080	0.900	2	112.4753	2.934	12	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:2:	4:3:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:O-2:	C[5]-4:C[6a]-3:N[5]-3: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)(OH)	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(OH){1|O<1>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|N<3>,3|C<3>,5|H<1>}	113.3790	0.000	1	113.3790	0.000	1	112.7080	0.900	2	112.4753	2.934	12	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:2:	4:3:4:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:O-2:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(OH)	C[5](C[5]C[6a]C[5]O)(C[5]O[5]O)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(OH){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]O)(C[5]O[5]O)(CCHH)(H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	115.5400	0.000	1	115.5400	0.000	1	115.5400	0.000	1	112.8224	5.015	5	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:2:	4:3:4:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:O-2:	C[5]-4:C[5a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]S[5]HH)(OH)	C[5](C[5]C[6a]C[5]O)(C[5a]C[5a]2)(C[5]S[5]HH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]S[5]HH)(OH){4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]O)(C[5a]C[5a]2)(C[5]S[5]HH)(H){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|C<4>,1|S<2>,2|C<3>,5|H<1>}	111.8360	3.224	2	111.8360	10.397	2	111.8360	10.397	2	112.8224	5.015	5	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:2:	4:3:4:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:O-2:	C[5]-4:C[6a]-3:C[5]-4: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]N[5]HH)(OH)	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]HH)(OH){1|S<4>,4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|S<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	112.4500	0.235	2	112.4500	0.055	2	112.4500	0.055	2	112.8224	5.015	5	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:2:	4:3:4:2:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:O-2:	C[5]-4:C[6a]-3:C[5]-4:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]C[5]HH)(OH)	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]C[5]HH)(OH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]C[5]HH)(OH){5|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]C[5]HH)(OH){5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	114.5435	1.848	8	114.5435	3.415	8	114.5435	3.415	8	114.5435	3.415	8	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:2:	4:3:4:2:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:O-2:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CO)(OH)	C[5](C[5]C[5,5]C[6a]O)(C[5]N[5,5]O)(CCHH)(OH)	C[6a](C[5]C[5,5]C[5]O)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CO)(OH){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5]C[6a]O)(C[5]N[5,5]O)(CCHH)(OH){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5]C[5,5]C[5]O)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	116.2490	0.000	1	116.2490	0.000	1	116.2490	0.000	1	113.0203	7.820	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:2:	4:3:4:2:	4:3:3:	C[5]-4:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])	C[5](C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])	C[6a](C[5]C[5]2O[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5]){1|C<4>,1|O<1>,5|C<3>,6|H<1>}	C[5](C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5]){1|C<4>,1|O<1>,5|C<3>,6|H<1>}	C[6a](C[5]C[5]2O[5])(C[6a]C[6a]H)2{1|O<2>,2|C<4>,3|C<3>,4|H<1>}	111.4060	0.052	2	111.4060	0.003	2	111.4060	0.003	2	113.0203	7.820	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:2:	4:4:1:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:C-2:	C[5]-4:C[5]-4: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)(CN)	C[5](C[5]C[6a]C[5]C)(C[5]N[5]CC)(H)2	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)(CN){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]C)(C[5]N[5]CC)(H)2{1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	111.4270	0.000	1	112.8755	4.196	2	115.1643	2.636	10	114.7293	2.828	18	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:2:	4:4:1:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:C-2:	C[5]-4:C[5]-4: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)(CN)	C[5](C[5]C[6a]C[5]C)(C[5]N[5]CC)(H)2	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)(CN){1|C<4>,3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]C)(C[5]N[5]CC)(H)2{2|H<1>,3|C<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>}	114.3240	0.000	1	112.8755	4.196	2	115.1643	2.636	10	114.7293	2.828	18	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:2:	4:4:1:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:C-2:	C[5]-4:C[5]-4: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)(CN)	C[5](C[5]C[6a]C[5]C)(C[5]N[5]CH)(H)2	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)(CN){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]C)(C[5]N[5]CH)(H)2{1|H<1>,1|N<3>,3|C<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>}	115.7365	0.959	8	115.7365	0.919	8	115.1643	2.636	10	114.7293	2.828	18	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:2:	4:4:1:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]C[5]HH)(OH)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]C[5]HH)(OH){5|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(H)2{1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	114.1855	1.694	8	114.1855	2.871	8	114.1855	2.871	8	114.7293	2.828	18	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:2:	4:4:1:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(OH)	C[5](C[5]C[5,5]C[6a]O)(C[5]N[5,5]HH)(H)2	C[6a](C[5]C[5,5]C[5]O)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(OH){1|N<3>,3|C<3>,6|H<1>}	C[5](C[5]C[5,5]C[6a]O)(C[5]N[5,5]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5]C[5,5]C[5]O)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,5|H<1>}	113.4290	0.000	1	113.4290	0.000	1	113.4290	0.000	1	113.2143	0.060	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:2:	4:4:1:1:	4:3:3:	C[5]-4:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])	C[5](C[5]C[6a]C[5]O[5])(C[5]C[5]HH)(H)2	C[6a](C[5]C[5]2O[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5]){1|C<4>,1|O<1>,5|C<3>,6|H<1>}	C[5](C[5]C[6a]C[5]O[5])(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[5]C[5]2O[5])(C[6a]C[6a]H)2{1|O<2>,2|C<4>,3|C<3>,4|H<1>}	113.1070	0.226	2	113.1070	0.051	2	113.1070	0.051	2	113.2143	0.060	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:2:	4:4:3:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:O-2:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(OH)	C[5](C[5]C[5,5]C[6a]O)(C[5]N[5,5]C[6a]H)(CC[6a]O)(H)	C[6a](C[5]C[5,5]C[5]O)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(OH){1|N<2>,4|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]O)(C[5]N[5,5]C[6a]H)(CC[6a]O)(H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5]C[5,5]C[5]O)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	114.5370	0.000	1	114.5370	0.000	1	114.5370	0.000	1	114.5370	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:3:	3:4:2:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:C-3:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(COO)	C[5](C[5a]C[5a]S[5a])(C[5]C[6a]C[5]C)(O[5]C[5])(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[5]C[5a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(COO){1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[5](C[5a]C[5a]S[5a])(C[5]C[6a]C[5]C)(O[5]C[5])(H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|O<2>,3|C<3>,5|H<1>}	114.8625	1.016	2	114.8625	1.032	2	114.8625	1.032	2	114.8625	1.032	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:3:	4:2:1:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:C-3:	C[5]-4:O[5]-2: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]HH)(CCH)	C[5](C[5]C[5,6]C[6a]C)(O[5]C[5,6])(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]HH)(CCH){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6]C[6a]C)(O[5]C[5,6])(H)2{1|C<2>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5]C[5,6]C[5]C)(C[6a]C[6a]H)2{1|C<2>,1|C<4>,1|O<2>,2|C<3>,4|H<1>}	113.1830	2.232	2	113.3077	2.537	3	113.3077	2.537	3	113.3077	2.537	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:3:	4:2:1:1:	4:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:C-3:	C[5]-4:O[5]-2: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]HH)(CCH)	C[5](C[5]C[5,6]C[6a]C)(O[5]C[5,6])(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]HH)(CCH){2|O<2>,3|C<3>,4|H<1>}	C[5](C[5]C[5,6]C[6a]C)(O[5]C[5,6])(H)2{1|C<2>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5]C[5,6]C[5]C)(C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|O<2>,2|C<4>,4|H<1>}	113.5570	0.000	1	113.3077	2.537	3	113.3077	2.537	3	113.3077	2.537	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:3:	4:2:4:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:C-3:	C[5]-4:O[5]-2:C-4: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]O[5]CH)(COO)	C[5](C[5]C[6a]C[5]C)(O[5]C[5])(CCHH)(H)	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]O[5]CH)(COO){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]C)(O[5]C[5])(CCHH)(H){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	114.1690	0.000	1	114.1690	0.000	1	114.1690	0.000	1	114.1690	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:3:	4:3:1:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(COO)	C[5](C[5]C[6a]C[5]C)(C[5]O[5]O)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[5]C[5a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(COO){1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]C)(C[5]O[5]O)(H)2{1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|O<2>,3|C<3>,5|H<1>}	117.1655	1.169	2	117.1655	1.366	2	115.9398	2.067	5	115.9398	2.067	5	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:3:	4:3:1:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:C-3:	C[5]-4:C[5]-3: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)(CNO)	C[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(CNO){1|C<4>,1|F<1>,1|H<1>,1|O<1>,4|C<3>}	C[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[5]C[5]2C){2|N<3>,3|C<3>,4|H<1>}	115.4950	1.031	2	115.4950	1.063	2	115.9398	2.067	5	115.9398	2.067	5	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:3:	4:3:1:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:C-3:	C[5]-4:C[5]-3: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)(COO)	C[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(COO){1|C<4>,1|F<1>,1|H<1>,1|O<1>,4|C<3>}	C[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[5]C[5]2C){2|N<3>,3|C<3>,4|H<1>}	114.3780	0.000	1	114.3780	0.000	1	115.9398	2.067	5	115.9398	2.067	5	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:3:	4:3:1:1:	4:3:3:	C[3,5]-4:C[6a]-3:C[5]-4:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[3,5]C[3,5]O[3]H)(C[6a]C[6a]2)(C[5]C[5]HH)(COO)	C[5](C[5]C[3,5]C[6a]C)(C[5]C[3,5]O)(H)2	C[6a](C[5]C[3,5]C[5]C)(C[6a]C[6a]H)2	C[5](C[3,5]C[3,5]O[3]H)(C[6a]C[6a]2)(C[5]C[5]HH)(COO){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[3,5]C[6a]C)(C[5]C[3,5]O)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5]C[3,5]C[5]C)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,5|H<1>}	112.2260	0.000	1	112.2260	0.000	1	112.2260	0.000	1	114.5490	10.793	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:3:	4:3:1:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:C-3:	C[5]-4:C[5]-3: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)(COO)	C[5](C[5]C[5,5]C[6a]C)(C[5]O[5]O)(H)2	C[6a](C[5]C[5,5]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(COO){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a]C)(C[5]O[5]O)(H)2{4|C<3>}	C[6a](C[5]C[5,5]C[5]C)(C[6a]C[6a]H)2{1|O<2>,4|C<3>,4|H<1>}	116.8720	0.000	1	116.8720	0.000	1	116.8720	0.000	1	114.5490	10.793	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:3:	4:3:2:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:C-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(COO)	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(COO){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	110.5160	0.000	1	110.5160	0.000	1	110.7400	0.394	3	110.7400	0.394	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:3:	4:3:2:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:C-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(COO)	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(COO){2|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(O[5]C[5])(H){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	110.8520	0.844	2	110.8520	0.713	2	110.7400	0.394	3	110.7400	0.394	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:3:	4:3:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:C-3:	C[5]-4:C[6a]-3:C[5]-3: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]O[5]CH)(COO)	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]O[5]O)(H)	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]O[5]CH)(COO){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]O[5]O)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	113.4910	0.000	1	113.4910	0.000	1	113.4910	0.000	1	113.6903	2.165	6	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:3:	4:3:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:C-3:	C[5]-4:C[6a]-3:N[5]-3: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)(CNO)	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(CNO){1|C<4>,1|F<1>,1|H<1>,1|O<1>,4|C<3>}	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[5]C[5]2C){2|N<3>,3|C<3>,4|H<1>}	112.5585	2.060	2	112.5585	4.243	2	113.7302	2.694	5	113.6903	2.165	6	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:3:	4:3:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:C-3:	C[5]-4:C[6a]-3:N[5]-3: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)(COO)	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(COO){1|C<4>,1|F<1>,1|H<1>,1|O<1>,4|C<3>}	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[5]C[5]2C){2|N<3>,3|C<3>,4|H<1>}	113.5410	0.000	1	113.5410	0.000	1	113.7302	2.694	5	113.6903	2.165	6	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:3:	4:3:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:C-3:	C[5]-4:C[6a]-3:N[5]-3: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)(COO)	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(COO){1|N<3>,2|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]H)(H){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2C){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	114.4750	0.000	1	114.4750	0.000	1	113.7302	2.694	5	113.6903	2.165	6	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:3:	4:3:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:C-3:	C[5]-4:C[6a]-3:N[5]-3: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)(COO)	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]H)(H)	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)(COO){3|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]H)(H){4|H<1>,6|C<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>}	115.5180	0.000	1	115.5180	0.000	1	113.7302	2.694	5	113.6903	2.165	6	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:3:	4:3:4:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:C-3:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(COO)	C[5](C[5]C[6a]C[5]C)(C[5]O[5]O)(CH3)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(COO){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]C)(C[5]O[5]O)(CH3)(H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	113.1610	0.000	1	113.1610	0.000	1	113.1610	0.000	1	113.1610	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:3:	4:3:4:3:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5]C[6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]3)	C[5](C[5]C[6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,4|C<3>,6|H<1>}	C[5](C[5]C[6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,4|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]3){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	111.5270	0.000	1	111.5270	0.000	1	111.5270	0.000	1	111.5270	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:3:	4:4:1:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:C-3:	C[5]-4:C[5]-4: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)(COO)	C[5](C[5]C[6a]C[5]C)(C[5]N[5]CC)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(COO){1|N<3>,2|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5]C)(C[5]N[5]CC)(H)2{2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2C){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	109.9450	0.000	1	109.9450	0.000	1	110.2990	0.389	4	110.6550	0.925	5	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:3:	4:4:1:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:C-3:	C[5]-4:C[5]-4: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)(COO)	C[5](C[5]C[6a]C[5]C)(C[5]N[5]CC)(H)2	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)(COO){3|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5]C)(C[5]N[5]CC)(H)2{2|H<1>,3|C<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>}	110.4010	0.000	1	110.4010	0.000	1	110.2990	0.389	4	110.6550	0.925	5	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:3:	4:4:1:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:C-3:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(COO)	C[5](C[5]C[6a]C[5]C)(C[5]O[5]CC)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(COO){2|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]C)(C[5]O[5]CC)(H)2{1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	110.4250	1.000	2	110.4250	1.000	2	110.2990	0.389	4	110.6550	0.925	5	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:3:	4:4:1:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5]C[6a]C[5]2)(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]3)	C[5](C[5]C[6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,4|C<3>,6|H<1>}	C[5](C[5]C[6a]C[5]2)(C[5]N[5]HH)(H)2{1|O<1>,2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]3){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	112.0790	0.000	1	112.0790	0.000	1	112.0790	0.000	1	110.6550	0.925	5	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:3:	4:4:1:1:	4:3:3:	Si[5]-4:C[6a]-3:C[5]-4:C[6]-3:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](Si[5]C[5]N[6]O)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]2)	C[5](C[5]C[6a]Si[5]C[6])(C[5]C[5]HH)(H)2	C[6a](C[5]Si[5]C[5]C[6])(C[6a]C[6a]H)2	C[5](Si[5]C[5]N[6]O)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]2){6|H<1>,8|C<3>}	C[5](C[5]C[6a]Si[5]C[6])(C[5]C[5]HH)(H)2{1|N<3>,1|O<1>,6|C<3>}	C[6a](C[5]Si[5]C[5]C[6])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>,4|C<4>}	110.1360	0.000	1	110.1360	0.000	1	110.1360	0.000	1	110.1360	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:4:	3:4:3:2:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:C[5]-4:	C[5,6a]-3:C[5]-4:N[5]-3:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,6a]N[5]O)(C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]2)(N[5]C[5]C)(OH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]3)	C[5](C[5]C[5,6a]N[5]O)(C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO){1|C<4>,5|C<3>,6|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]2)(N[5]C[5]C)(OH){1|Cl<1>,1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]3){1|N<3>,2|C<3>,2|C<4>,2|O<2>,5|H<1>}	108.1400	2.735	2	108.1400	7.481	2	108.1400	7.481	2	108.1400	7.481	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:4:	4:3:1:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:C-4:	C[5]-4:C[5]-3: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[5](C[5]C[6a]C[5]C)(C[5]O[5]O)(H)2	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[5](C[5]C[6a]C[5]C)(C[5]O[5]O)(H)2{4|C<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>}	110.5770	0.000	1	110.5770	0.000	1	110.5770	0.000	1	110.5770	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:4:	4:3:1:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:C-4:	C[5]-4:C[5]-3: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[5](C[5]C[5,5]C[6a]C)(C[5]O[5]O)(H)2	C[6a](C[5]C[5,5]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]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[5](C[5]C[5,5]C[6a]C)(C[5]O[5]O)(H)2{4|C<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>}	117.2940	0.000	1	117.2940	0.000	1	117.2940	0.000	1	115.6860	5.171	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:4:	4:3:1:1:	4:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:C-4:	C[5]-4:N[5]-3: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[5](C[5]C[5,5]C[6a]C)(N[5]C[5,5]C)(H)2	C[6a](C[5]C[5,5]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]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[5](C[5]C[5,5]C[6a]C)(N[5]C[5,5]C)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<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>}	114.0780	0.000	1	114.0780	0.000	1	114.0780	0.000	1	115.6860	5.171	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:4:	4:3:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:C-4:	C[5]-4:C[5]-3:N[5]-3: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[5](C[5]C[6a]C[5]C)(C[5]C[5]O)(N[5]C[5]2)(H)	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[5](C[5]C[6a]C[5]C)(C[5]C[5]O)(N[5]C[5]2)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>,4|C<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>}	112.7530	0.000	1	112.7530	0.000	1	112.7530	0.000	1	111.4303	0.941	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:4:	4:3:3:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:C-4:	C[5]-4:C[6a]-3:N[5]-3: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[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]H)(H)	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[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]H)(H){5|C<3>,5|H<1>}	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>}	110.9893	0.495	3	110.9893	0.245	3	110.9893	0.245	3	111.4303	0.941	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:4:	4:3:3:2:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:C-4:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	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[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)2(O[5]C[5])	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[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)2(O[5]C[5]){1|O<1>,6|C<3>,6|H<1>}	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>}	113.7430	0.000	1	113.7430	0.000	1	113.7430	0.000	1	113.7430	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:4:	4:3:4:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:C-4:	C[5]-4:C[6a]-3:C[5]-4: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[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	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[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,2|C<2>,3|H<1>,4|C<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>}	114.5685	1.001	2	114.5685	1.001	2	115.8530	5.450	3	115.8530	5.450	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:4:	4:3:4:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:C-4:	C[5]-4:C[6a]-3:C[5]-4: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[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	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[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,2|C<2>,3|H<1>,4|C<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>}	118.4220	0.000	1	118.4220	0.000	1	115.8530	5.450	3	115.8530	5.450	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:4:	4:3:4:4:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:C-4:	C[5]-4:C[5]-3:C-4:C-4:	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[5](C[5]C[6a]C[5]C)(C[5]C[5]C)(CCHH)(CH3)	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[5](C[5]C[6a]C[5]C)(C[5]C[5]C)(CCHH)(CH3){1|H<1>,1|N<3>,1|O<1>,2|C<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>}	109.6860	0.000	1	109.6860	0.000	1	109.6860	0.000	1	109.6860	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	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[5]-4: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[5](C[5]C[6a]C[5]C)(C[5]C[6a]N[5]H)(H)2	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[5](C[5]C[6a]C[5]C)(C[5]C[6a]N[5]H)(H)2{2|H<1>,5|C<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>}	112.2480	0.966	3	112.2480	0.932	3	112.2480	0.932	3	112.4326	0.535	5	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:4:	4:4:1:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,6a]N[5]O)(C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)	C[5](C[5]C[6a]C[5]2)(C[5]C[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]3)	C[5](C[5]C[5,6a]N[5]O)(C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO){1|C<4>,5|C<3>,6|H<1>}	C[5](C[5]C[6a]C[5]2)(C[5]C[5]HH)(H)2{1|N<3>,2|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]3){1|N<3>,2|C<3>,2|C<4>,2|O<2>,5|H<1>}	112.7095	0.138	2	112.7095	0.019	2	112.7095	0.019	2	112.4326	0.535	5	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:4:	4:4:1:1:	4:3:3:	C[3,5]-4:C[6a]-3:C[5]-4:C-4:	C[5]-4:C[5]-4: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[5](C[5]C[3,5]C[6a]C)(C[5]C[3,5]HH)(H)2	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[5](C[5]C[3,5]C[6a]C)(C[5]C[3,5]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	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>}	110.6500	0.000	1	110.6500	0.000	1	110.6500	0.000	1	110.6500	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:4:	4:4:2:1:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,6a]N[5]O)(C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)	C[5](C[5]C[6a]C[5]2)(C[5]C[5]HH)(OC)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]3)	C[5](C[5]C[5,6a]N[5]O)(C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO){1|C<4>,5|C<3>,6|H<1>}	C[5](C[5]C[6a]C[5]2)(C[5]C[5]HH)(OC)(H){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]3){1|N<3>,2|C<3>,2|C<4>,2|O<2>,5|H<1>}	108.1805	1.133	2	108.1805	1.285	2	108.1805	1.285	2	108.1805	1.285	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:4:	4:4:2:2:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:C-4:	C[5]-4:C[5]-4:C-2:C-2:	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[5](C[5]C[6a]C[5]C)(C[5]C[5]HO)(CN)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[5](C[5]C[6a]C[5]C)(C[5]C[5]HO)(CN)2{3|C<3>,3|H<1>}	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>}	109.5335	1.534	2	109.5335	2.352	2	109.3420	1.286	3	109.3420	1.286	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:3:4:4:	4:4:2:2:	3:3:4:	C[5]-4:C[6a]-3:C[5]-4:C-4:	C[5]-4:C[5]-4:C-2:C-2:	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[5](C[5]C[6a]C[5]C)(C[5]C[5]HO)(CN)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)(CH3){1|O<2>,4|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HO)(CN)2{3|C<3>,3|H<1>}	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>}	108.9590	0.000	1	108.9590	0.000	1	109.3420	1.286	3	109.3420	1.286	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	3:3:4:1:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5a]C[5a]H)(C[5]C[5,5a]C[6a]2)(C[6a]C[6a]2)(H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a]N[5a])(C[5]C[6a]C[5]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5a]C[5a]H)(C[5]C[5,5a]C[6a]2)(C[6a]C[6a]2)(H){2|H<1>,2|N<3>,8|C<3>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a]N[5a])(C[5]C[6a]C[5]H)(H){1|C<4>,1|H<1>,1|N<3>,8|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){3|H<1>,6|C<3>}	113.1010	0.000	1	113.1010	0.000	1	114.1155	2.058	2	114.0110	3.824	5	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	3:3:4:1:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5a]C[5a]H)(C[5]C[5,5a]C[6a]H)(C[6a]C[6a]2)(H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5a]C[5a]H)(C[5]C[5,5a]C[6a]H)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,7|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5]H)(H){1|N<3>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){4|H<1>,5|C<3>}	115.1300	0.000	1	115.1300	0.000	1	114.1155	2.058	2	114.0110	3.824	5	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	3:3:4:1:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5a]-3:N[5a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5a]C[6a]2)(C[5]C[5,5a]N[5a]H)(C[6a]C[6a]2)(H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(N[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5a]C[6a]2)(C[5]C[5,5a]N[5a]H)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,9|C<3>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(N[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5]H)(H){1|H<1>,1|N<3>,9|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,3|H<1>,5|C<3>}	116.9010	0.000	1	116.9010	0.000	1	116.9010	0.000	1	114.0110	3.824	5	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	3:3:4:1:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]N[5,5a]C[5a]H)(C[5]C[5,5a]CH)(C[6a]C[6a]2)(H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a]N[5a])(C[5]C[6a]C[5]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]N[5,5a]C[5a]H)(C[5]C[5,5a]CH)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,5|C<3>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a]N[5a])(C[5]C[6a]C[5]H)(H){2|C<4>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	112.2870	0.000	1	112.2870	0.000	1	112.2870	0.000	1	114.0110	3.824	5	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	3:3:4:1:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]CH)(C[6a]C[6a]2)(H)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(C[5]C[6a]C[5]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]CH)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(C[5]C[6a]C[5]H)(H){1|O<1>,2|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	112.6360	0.000	1	112.6360	0.000	1	112.6360	0.000	1	114.0110	3.824	5	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	3:4:1:1:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]HH)(C[6a]C[6a]2)(H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]H)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]HH)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,5|C<3>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]H)(H)2{1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){4|C<3>,5|H<1>}	112.2890	0.000	1	112.2890	0.000	1	112.1423	1.244	3	114.4916	4.514	15	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	3:4:1:1:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5a]HH)2(C[6a]C[6a]2)(H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]H)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5a]HH)2(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]H)(H)2{1|S<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){3|C<3>,6|H<1>}	113.1770	0.000	1	113.1770	0.000	1	112.1423	1.244	3	114.4916	4.514	15	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	3:4:1:1:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5a]HH)2(C[6a]C[6a]2)(H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]H)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5a]HH)2(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]H)(H)2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){3|C<3>,6|H<1>}	110.9610	0.000	1	110.9610	0.000	1	112.1423	1.244	3	114.4916	4.514	15	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	3:4:1:1:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,6]HH)2(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5]H)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(C[6a]C[6a]2)(H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5]H)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,2|C<3>,6|H<1>}	113.4790	0.000	1	113.4790	0.000	1	113.4790	0.000	1	114.4916	4.514	15	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	3:4:1:1:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5]H)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5]H)(H)2{1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,3|C<3>,5|H<1>}	117.9430	0.000	1	117.9430	0.000	1	115.5677	3.726	9	114.4916	4.514	15	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	3:4:1:1:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5]H)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5]H)(H)2{1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){4|C<3>,5|H<1>}	116.9140	0.109	2	116.9140	0.012	2	115.5677	3.726	9	114.4916	4.514	15	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	3:4:1:1:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,3|C<3>,5|H<1>}	113.5365	1.469	2	113.5365	2.157	2	115.5677	3.726	9	114.4916	4.514	15	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	3:4:1:1:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HH)2(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)2(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){3|C<3>,6|H<1>}	115.4660	0.000	1	115.8527	3.206	3	115.5677	3.726	9	114.4916	4.514	15	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	3:4:1:1:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HH)2(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)2(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){3|C<3>,6|H<1>}	117.8050	0.000	1	115.8527	3.206	3	115.5677	3.726	9	114.4916	4.514	15	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	3:4:1:1:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HH)2(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)2(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)2{3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){3|C<3>,6|H<1>}	114.2870	0.000	1	115.8527	3.206	3	115.5677	3.726	9	114.4916	4.514	15	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	3:4:1:1:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HH)2(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5]H)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)2(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5]H)(H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){3|C<3>,6|H<1>}	113.7070	0.000	1	113.7070	0.000	1	115.5677	3.726	9	114.4916	4.514	15	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	3:4:1:1:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(C[6a]C[6a]2)(H)	C[5](N[5,6]C[5,6]S[6])(C[5]C[6a]C[5]H)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[5](N[5,6]C[5,6]S[6])(C[5]C[6a]C[5]H)(H)2{1|C<4>,2|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	113.6795	1.255	2	113.6795	1.575	2	113.6795	1.575	2	114.4916	4.514	15	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	3:4:2:1:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H)	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]C[5]H)(O[5]C[5])(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]C[5]H)(O[5]C[5])(H){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|O<2>,4|C<3>,4|H<1>}	114.8410	0.000	1	114.8410	0.000	1	114.8410	0.000	1	114.8410	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	3:4:2:2:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	N[5,6]-3:C[5]-4:C-2:C-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]N[5,6]CC)(C[6a]C[6a]2)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5]H)(CN)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]N[5,6]CC)(C[6a]C[6a]2)(H){3|H<1>,4|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5]H)(CN)2{3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,2|C<2>,2|C<3>,3|H<1>}	113.0810	0.000	1	113.0810	0.000	1	113.0810	0.000	1	113.0810	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	3:4:3:1:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5a]-3:C[5]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5a]C[6a]C)(C[5]C[5,5a]CH)(C[6a]C[6a]2)(H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]H)(CCO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5a]C[6a]C)(C[5]C[5,5a]CH)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,5|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]H)(CCO)(H){1|C<4>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){3|H<1>,6|C<3>}	112.4020	0.000	1	112.4020	0.000	1	112.4020	0.000	1	114.1313	4.859	15	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	3:4:3:1:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5a]-3:C[5]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5a]C[6a]2)(C[5]C[5,5a]C[6]H)(C[6a]C[6a]2)(H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]H)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5a]C[6a]2)(C[5]C[5,5a]C[6]H)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,9|C<3>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]H)(C[6]C[6]2)(H){1|O<1>,2|C<4>,2|N<3>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){3|H<1>,6|C<3>}	115.1740	0.000	1	115.1740	0.000	1	115.1740	0.000	1	114.1313	4.859	15	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	3:4:3:1:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5a]-3:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5a]C[5a]H)(C[5]C[5,5a]C[6a]H)(C[6a]C[6a]2)(H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5a]C[5a]H)(C[5]C[5,5a]C[6a]H)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,7|C<3>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){4|H<1>,5|C<3>}	112.4760	0.000	1	112.4760	0.000	1	112.0855	0.305	2	114.1313	4.859	15	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	3:4:3:1:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5a]-3:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]HH)(C[6a]C[6a]2)(H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]HH)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,5|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|S<4>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){4|C<3>,5|H<1>}	111.6950	0.000	1	111.6950	0.000	1	112.0855	0.305	2	114.1313	4.859	15	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	3:4:3:1:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CC[6a]O)(H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|H<1>,2|O<2>,5|C<3>}	113.8960	0.000	1	113.8960	0.000	1	113.8960	0.000	1	114.1313	4.859	15	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	3:4:3:1:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,4|C<3>,4|H<1>}	112.9473	2.979	3	113.8250	8.998	4	113.8880	5.420	6	114.1313	4.859	15	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	3:4:3:1:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|O<2>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|H<1>,2|O<2>,5|C<3>}	116.4580	0.000	1	113.8250	8.998	4	113.8880	5.420	6	114.1313	4.859	15	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	3:4:3:1:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){4|C<3>,5|H<1>}	114.0140	0.238	2	114.0140	0.056	2	113.8880	5.420	6	114.1313	4.859	15	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	3:4:3:1:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(NCH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(NCH)(H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,3|C<3>,5|H<1>}	113.6770	0.240	2	113.6770	0.058	2	113.6770	0.058	2	114.1313	4.859	15	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	3:4:3:1:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	N[5,5]-3:C[5]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]N[5,5]CH)(C[6a]C[6a]2)(H)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[6a]C[5]H)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]N[5,5]CH)(C[6a]C[6a]2)(H){1|S<2>,3|C<3>,3|H<1>}	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[6a]C[5]H)(CC[6a]O)(H){1|S<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	117.8220	0.233	2	117.8220	0.054	2	117.8220	0.054	2	114.1313	4.859	15	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	3:4:3:1:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5a]-3:C[5]-4:C[5a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5a]C[5,6a]C[5])(C[5]C[5,5a]C[5a]H)(C[6a]C[6a]2)(H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5,5]C[6a]H)(C[5a]C[5a]N[5a])(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5a]C[5,6a]C[5])(C[5]C[5,5a]C[5a]H)(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,3|N<3>,6|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5,5]C[6a]H)(C[5a]C[5a]N[5a])(H){1|C<4>,2|H<1>,8|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|Cl<1>,2|H<1>,6|C<3>}	117.9800	0.000	1	117.9800	0.000	1	117.9800	0.000	1	116.7287	3.118	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	3:4:3:1:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]CH)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(CCH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]CH)(C[6a]C[6a]2)(H){1|S<4>,3|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(CCH)(H){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,5|C<3>}	117.4970	0.000	1	117.4970	0.000	1	117.4970	0.000	1	116.7287	3.118	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	3:4:3:1:	4:3:3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,7|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	114.7090	0.000	1	114.7090	0.000	1	114.7090	0.000	1	116.7287	3.118	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	3:4:3:3:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5a]-3:C[5]-4:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5a]C[6a]C)(C[5]C[5,5a]CH)(C[6a]C[6a]2)(H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5a]C[6a]C)(C[5]C[5,5a]CH)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,5|C<3>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(COO){1|N<3>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){3|H<1>,6|C<3>}	113.8530	0.000	1	113.8530	0.000	1	113.8530	0.000	1	117.7782	7.855	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	3:4:3:3:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5a]-3:C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5a]C[5a]H)(C[5]C[5,5a]C[6a]2)(C[6a]C[6a]2)(H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5a]C[5a]H)(C[5]C[5,5a]C[6a]2)(C[6a]C[6a]2)(H){2|H<1>,2|N<3>,8|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)2{6|H<1>,9|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){3|H<1>,6|C<3>}	120.5000	0.000	1	120.5000	0.000	1	119.0867	1.511	3	117.7782	7.855	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	3:4:3:3:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5a]-3:C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5a]C[6a]2)(C[5]C[5,5a]C[6]H)(C[6a]C[6a]2)(H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5a]C[6a]2)(C[5]C[5,5a]C[6]H)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,9|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)2{6|H<1>,9|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){3|H<1>,6|C<3>}	118.4920	0.000	1	118.4920	0.000	1	119.0867	1.511	3	117.7782	7.855	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	3:4:3:3:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5a]-3:C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5a]C[6a]2)(C[5]C[5,5a]N[5a]H)(C[6a]C[6a]2)(H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5a]C[6a]2)(C[5]C[5,5a]N[5a]H)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,9|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)2{1|N<3>,6|H<1>,8|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,3|H<1>,5|C<3>}	118.2680	0.000	1	118.2680	0.000	1	119.0867	1.511	3	117.7782	7.855	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	3:4:3:4:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5a]-3:C[5]-4:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5a]C[5]C)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]C)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,3|H<1>,6|C<3>}	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[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<4>,3|H<1>,4|C<3>}	114.1190	0.000	1	114.1190	0.000	1	114.5333	0.223	3	114.5333	0.223	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	3:4:3:4:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5a]-3:C[5]-4:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5a]C[5]C)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[5a]C[5a]O[5a])(C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]C)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	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[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<4>,3|H<1>,4|C<3>}	114.7405	0.435	2	114.7405	0.189	2	114.5333	0.223	3	114.5333	0.223	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	3:4:4:1:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5a]-3:C[5]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]N[5,5a]C[5a]H)(C[5]C[5,5a]CH)(C[6a]C[6a]2)(H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[6a]C[5]H)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]N[5,5a]C[5a]H)(C[5]C[5,5a]CH)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,5|C<3>}	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[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	116.8820	0.000	1	116.8820	0.000	1	116.8820	0.000	1	115.5333	6.494	7	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	3:4:4:1:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-3:C[5]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]N[5,6]CH)(C[6a]C[6a]2)(H)	C[5](C[5,6]N[5,6]C[6])(C[5]C[6a]C[5]H)(CH3)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]N[5,6]CH)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[5](C[5,6]N[5,6]C[6])(C[5]C[6a]C[5]H)(CH3)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	112.8710	0.000	1	112.8710	0.000	1	112.8710	0.000	1	115.5333	6.494	7	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	3:4:4:1:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CH3)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	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[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,3|C<3>,5|H<1>}	112.6650	0.000	1	112.6650	0.000	1	115.7883	9.904	4	115.5333	6.494	7	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	3:4:4:1:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	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[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,4|C<3>,4|H<1>}	114.3030	0.000	1	114.3030	0.000	1	115.7883	9.904	4	115.5333	6.494	7	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	3:4:4:1:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CC[6a]HN)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	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[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,4|C<3>,4|H<1>}	118.0925	2.671	2	118.0925	7.133	2	115.7883	9.904	4	115.5333	6.494	7	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	3:4:4:1:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	N[5,6]-3:C[5]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]N[5,6]CH)(C[6a]C[6a]2)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5]H)(CBrHH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]N[5,6]CH)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5]H)(CBrHH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	115.8270	0.000	1	115.8270	0.000	1	115.8270	0.000	1	115.5333	6.494	7	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	3:4:4:1:	4:3:3:	C[5]-4:Si[5]-4:C[6a]-3:H-1:	C[5,5a]-3:C[5]-4:Si-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5a]SiH)(Si[5]C[5,5a]CC)(C[6a]C[6a]2)(H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]Si[5]H)(SiCCH)(H)	C[6a](C[5]Si[5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,5a]SiH)(Si[5]C[5,5a]CC)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]Si[5]H)(SiCCH)(H){3|C<4>,4|C<3>}	C[6a](C[5]Si[5]C[5]H)(C[6a]C[6a]H)2{1|Si<4>,2|C<4>,3|C<3>,3|H<1>}	115.3120	0.000	1	115.3120	0.000	1	115.3120	0.000	1	115.3120	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	3:4:4:4:	4:3:3:	C[5]-4:N[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]HH)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CH3)2	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]HH)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	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[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	118.2920	0.000	1	118.2920	0.000	1	118.2920	0.000	1	118.2920	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:3:2:1:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,7|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	115.2002	1.106	4	115.2002	1.222	4	115.2816	2.271	14	115.2816	2.271	14	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:3:2:1:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	115.3142	1.694	10	115.3142	2.868	10	115.2816	2.271	14	115.2816	2.271	14	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:3:2:1:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H)	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,8|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,5])(H){2|H<1>,8|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|H<1>,4|C<3>}	115.3846	1.674	9	115.3846	2.803	9	115.3846	2.803	9	116.0833	3.696	15	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:3:2:1:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:N[5,6]-3:C-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6]C[5]2)(C[5]N[5,6]CH)(C[6a]C[6a]2)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5,6]C[5,6]2)(CN)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6]C[5]2)(C[5]N[5,6]CH)(C[6a]C[6a]2)(H){1|C<4>,2|O<1>,3|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5,6]C[5,6]2)(CN)(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<2>,1|N<3>,2|C<4>,2|H<1>,3|C<3>}	115.9410	0.000	1	116.3638	0.164	5	117.1315	3.667	6	116.0833	3.696	15	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:3:2:1:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:N[5,6]-3:C-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6]C[5]2)(C[5]N[5,6]CH)(C[6a]C[6a]2)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5,6]C[5,6]2)(CN)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6]C[5]2)(C[5]N[5,6]CH)(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5,5]C[6a]H)(N[5,6]C[5,6]2)(CN)(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<2>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	116.4695	0.380	4	116.3638	0.164	5	117.1315	3.667	6	116.0833	3.696	15	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:3:2:1:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:N[5,6]-3:C-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(C[6a]C[6a]2)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5,6]C[5,6]2)(CN)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5,6]C[5,6]2)(CN)(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<2>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	120.9700	0.000	1	120.9700	0.000	1	117.1315	3.667	6	116.0833	3.696	15	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:3:3:1:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]O)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]O)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|O<2>,4|C<3>,4|H<1>}	115.3080	0.000	1	115.3080	0.000	1	115.3080	0.000	1	115.2187	1.102	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:3:3:1:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){3|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	115.1740	1.481	2	115.1740	2.192	2	115.1740	2.192	2	115.2187	1.102	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:3:3:1:	4:3:3:	C[5,5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[5](C[5]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[3x5]H)(H)	C[6a](C[5]C[5,5,6]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,4|H<1>,6|C<3>}	C[5](C[5]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[3x5]H)(H){2|C<4>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,5,6]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	114.1990	0.000	1	114.1990	0.000	1	115.0468	0.320	5	115.7407	4.193	20	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:3:3:1:	4:3:3:	C[5,5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[5](C[5]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[3x5]H)(H)	C[6a](C[5]C[5,5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5,6]C[3x5]C[5,6]C[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,5|H<1>,6|C<3>}	C[5](C[5]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[3x5]H)(H){2|C<4>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	115.2587	0.357	4	115.2587	0.127	4	115.0468	0.320	5	115.7407	4.193	20	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:3:3:1:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[5a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5a]C[5a]O[5a])(C[5]N[5]S)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|O<2>,1|S<1>,3|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5a]C[5a]O[5a])(C[5]N[5]S)(H){1|H<1>,1|N<2>,1|N<3>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,5|C<3>}	117.2010	0.000	1	117.2010	0.000	1	117.2010	0.000	1	115.7407	4.193	20	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:3:3:1:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|O<1>,5|H<1>,8|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){1|C<4>,2|H<1>,7|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	115.6520	0.000	1	115.6520	0.000	1	115.6520	0.000	1	115.7407	4.193	20	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:3:3:1:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:N[5,5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]2)(C[5]N[5,5]C[6a]H)(C[6a]C[6a]2)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]2)(C[5]N[5,5]C[6a]H)(C[6a]C[6a]2)(H){1|C<4>,2|O<1>,3|H<1>,7|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,7|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	116.7675	1.207	2	116.7675	1.457	2	117.3905	1.475	4	115.7407	4.193	20	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:3:3:1:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:N[5,5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5,5]C[6a]H)(C[6a]C[6a]2)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5,5]C[6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,7|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	118.0135	1.190	2	118.0135	1.416	2	117.3905	1.475	4	115.7407	4.193	20	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:3:3:1:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:N[5,6]-3:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(C[6a]C[6a]2)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5,6]C[5,6]2)(COO)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5,6]C[5,6]2)(COO)(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	120.6580	0.000	1	120.6580	0.000	1	120.6580	0.000	1	115.7407	4.193	20	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:3:3:1:	4:3:3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,5]C[6]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,5]C[6]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,5|H<1>,7|C<3>}	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){1|C<4>,2|H<1>,7|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	115.1620	1.749	3	115.1620	3.061	3	114.1132	6.440	4	115.7407	4.193	20	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:3:3:1:	4:3:3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,6]H)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|O<1>,2|N<3>,3|H<1>,5|C<3>}	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,6]H)(H){4|H<1>,6|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	110.9670	0.000	1	110.9670	0.000	1	114.1132	6.440	4	115.7407	4.193	20	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:3:3:1:	4:3:3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5]C[6])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>,6|C<3>}	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5]C[6])(C[6a]C[6a]2)(H){3|C<4>,4|H<1>,6|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	114.7185	0.524	2	114.6087	0.173	3	115.0135	0.771	4	115.7407	4.193	20	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:3:3:1:	4:3:3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5]C[6])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,5|H<1>,6|C<3>}	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5]C[6])(C[6a]C[6a]2)(H){3|C<4>,4|H<1>,6|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,2|N<3>,3|C<3>}	114.3890	0.000	1	114.6087	0.173	3	115.0135	0.771	4	115.7407	4.193	20	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:3:3:1:	4:3:3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[6]O[5]S[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[6]O[5]S[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[5](C[5]C[5,6]C[6a]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|S<2>,2|H<1>,7|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,1|S<2>,3|C<3>,3|H<1>}	116.2280	0.000	1	116.2280	0.000	1	115.0135	0.771	4	115.7407	4.193	20	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:3:4:1:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-3:C-4:Br-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]BrC)(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(Br)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]BrC)(C[6a]C[6a]2)(H){1|Br<1>,1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(Br){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|Br<1>,2|C<4>,3|C<3>,3|H<1>}	116.5415	0.401	2	116.5415	0.161	2	116.5415	0.161	2	116.6718	0.178	5	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:3:4:1:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5a]C[5]C)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]C)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<4>,3|H<1>,4|C<3>}	116.5025	0.319	2	116.7587	0.248	3	116.7587	0.248	3	116.6718	0.178	5	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:3:4:1:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5a]C[5]C)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5a]C[5]C)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,3|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<4>,3|H<1>,4|C<3>}	117.2710	0.000	1	116.7587	0.248	3	116.7587	0.248	3	116.6718	0.178	5	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:3:4:1:	4:3:3:	B[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:P[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](B[5]C[6a]2N[5])(C[5]C[6a]P[5]H)(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]B[5]H)(C[6a]C[6a]2)(P[5]N[5]CC)(H)	C[6a](C[5]B[5]C[5]H)(C[6a]C[6a]H)2	C[5](B[5]C[6a]2N[5])(C[5]C[6a]P[5]H)(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,9|C<3>}	C[5](C[5]C[6a]B[5]H)(C[6a]C[6a]2)(P[5]N[5]CC)(H){2|H<1>,7|C<3>}	C[6a](C[5]B[5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,1|P<4>,3|H<1>,4|C<3>}	112.3100	0.000	1	112.3100	0.000	1	112.3100	0.000	1	115.9946	7.211	5	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:3:4:1:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,2|O<1>,4|H<1>,6|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,5|C<3>}	117.2095	0.435	2	117.2095	0.189	2	117.8073	1.167	3	115.9946	7.211	5	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:3:4:1:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]O[5]2)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5]O[5]2)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,5|C<3>,5|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|O<2>,3|C<3>,3|H<1>}	119.0030	0.000	1	119.0030	0.000	1	117.8073	1.167	3	115.9946	7.211	5	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:3:4:1:	4:3:3:	C[5]-4:N[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[6a]N[5]H)(N[5]C[5]FeH)(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]HS)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(N[5]C[5]FeH)(C[6a]C[6a]2)(H){1|S<4>,4|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]HS)(H){1|Fe<6>,4|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|Fe<6>,1|C<4>,1|N<4>,2|C<3>,4|H<1>}	114.2410	0.000	1	114.2410	0.000	1	114.2410	0.000	1	115.9946	7.211	5	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:1:1:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[4,5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[4,5]C[6a]H)(C[5]C[4,5]HH)(C[6a]C[6a]2)(H)	C[5](C[4,5]C[4,5]C[6a]O[4])(C[5]C[6a]C[5]H)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[4,5]C[6a]H)(C[5]C[4,5]HH)(C[6a]C[6a]2)(H){1|O<2>,3|H<1>,6|C<3>}	C[5](C[4,5]C[4,5]C[6a]O[4])(C[5]C[6a]C[5]H)(H)2{1|N<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<3>,2|C<4>,5|H<1>}	115.3030	0.000	1	115.3030	0.000	1	115.9575	0.857	2	115.1261	1.544	13	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:1:1:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[4,5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[4,5]C[6a]H)(C[5]C[4,5]HH)(C[6a]C[6a]2)(H)	C[5](C[4,5]C[4,5]O[4]H)(C[5]C[6a]C[5]H)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[4,5]C[6a]H)(C[5]C[4,5]HH)(C[6a]C[6a]2)(H){1|O<2>,4|H<1>,5|C<3>}	C[5](C[4,5]C[4,5]O[4]H)(C[5]C[6a]C[5]H)(H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<3>,2|C<4>,5|H<1>}	116.6120	0.000	1	116.6120	0.000	1	115.9575	0.857	2	115.1261	1.544	13	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:1:1:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5]H)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){3|H<1>,5|C<3>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	115.4950	0.000	1	115.4950	0.000	1	114.7027	0.630	4	115.1261	1.544	13	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:1:1:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5]H)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,6|C<3>}	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5]H)(H)2{2|C<2>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<3>,2|C<4>,5|H<1>}	114.7460	0.000	1	114.7460	0.000	1	114.7027	0.630	4	115.1261	1.544	13	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:1:1:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,5]C[6a]N[5])(C[5]C[6a]C[5]H)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){1|N<3>,3|H<1>,6|C<3>}	C[5](C[5,5]C[5,5]C[6a]N[5])(C[5]C[6a]C[5]H)(H)2{1|S<4>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<3>,2|C<4>,5|H<1>}	113.6100	0.000	1	113.6100	0.000	1	114.7027	0.630	4	115.1261	1.544	13	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:1:1:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,5a]C[5,5]O)(C[5]C[6a]C[5]H)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){1|O<2>,3|H<1>,6|C<3>}	C[5](C[5,5]C[5,5a]C[5,5]O)(C[5]C[6a]C[5]H)(H)2{1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<3>,2|C<4>,5|H<1>}	114.9600	0.000	1	114.9600	0.000	1	114.7027	0.630	4	115.1261	1.544	13	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:1:1:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[6a]C[5]H)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){3|H<1>,5|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[6a]C[5]H)(H)2{1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<3>,2|C<4>,5|H<1>}	116.0780	1.834	2	116.0780	3.364	2	115.1304	2.280	7	115.1261	1.544	13	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:1:1:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(H)2{1|C<2>,2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,1|C<3>,2|C<4>,5|H<1>}	115.2480	0.000	1	115.2480	0.000	1	115.1304	2.280	7	115.1261	1.544	13	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:1:1:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(H)2{1|C<4>,2|C<3>,3|H<1>,3|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	116.3780	0.000	1	116.3780	0.000	1	115.1304	2.280	7	115.1261	1.544	13	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:1:1:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(C[6a]C[6a]2)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[6a]C[5]H)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[6a]C[5]H)(H)2{1|S<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	113.3940	0.935	2	113.3940	0.874	2	115.1304	2.280	7	115.1261	1.544	13	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:1:1:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,6]HH)2(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[6a]C[5]H)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,6]HH)2(C[6a]C[6a]2)(H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[6a]C[5]H)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,2|C<3>,6|H<1>}	115.3430	0.000	1	115.3430	0.000	1	115.1304	2.280	7	115.1261	1.544	13	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:1:1:	4:3:3:	C[5,5,6,6]-4:C[5]-4:C[6a]-3:H-1:	Si[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[5]Si[5]HH)(C[6a]C[6a]2)(H)	C[5](Si[5]C[5,5,6,6]C[6a]2)(C[5]C[5,5,6,6]C[6a]H)(H)2	C[6a](C[5]C[5,5,6,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[5]Si[5]HH)(C[6a]C[6a]2)(H){10|C<3>,2|H<1>}	C[5](Si[5]C[5,5,6,6]C[6a]2)(C[5]C[5,5,6,6]C[6a]H)(H)2{10|C<3>}	C[6a](C[5]C[5,5,6,6]C[5]H)(C[6a]C[6a]H)2{1|Si<4>,1|C<4>,3|C<3>,4|H<1>}	115.1810	0.000	1	115.1810	0.000	1	115.1810	0.000	1	115.8942	3.220	27	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:1:1:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,5]C[6a]H)(H)2	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,5]C[6a]H)(H)2{1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	118.6250	0.000	1	118.6250	0.000	1	118.6250	0.000	1	115.8942	3.220	27	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:1:1:	4:3:3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,5,6]C[6a]O[5])(C[5]C[5,6]C[6a]H)(H)2	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){2|O<2>,4|H<1>,5|C<3>}	C[5](C[5,5]C[5,5,6]C[6a]O[5])(C[5]C[5,6]C[6a]H)(H)2{1|C<4>,1|H<1>,1|N<2>,6|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,5|H<1>}	114.4710	0.000	1	114.4710	0.000	1	115.4936	1.658	5	115.8942	3.220	27	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:1:1:	4:3:3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	C[5](C[5,5]N[5,6]C[5]2)(C[5]C[5,6]C[6a]H)(H)2	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){1|S<4>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,5]N[5,6]C[5]2)(C[5]C[5,6]C[6a]H)(H)2{1|S<4>,2|C<3>,3|C<4>,5|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,5|H<1>}	115.7493	1.332	4	115.7493	1.775	4	115.4936	1.658	5	115.8942	3.220	27	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:1:1:	4:3:3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[3,6]O[5,6]C)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]C[6a]H)(H)2	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[3,6]O[5,6]C)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]C[6a]H)(H)2{1|C<4>,5|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	117.5260	0.000	1	117.5260	0.000	1	115.5799	4.263	14	115.8942	3.220	27	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:1:1:	4:3:3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C[6a]H)(H)2	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|O<2>,3|C<4>,4|C<3>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C[6a]H)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<3>,4|C<4>,4|H<1>}	112.6535	1.043	2	112.6535	1.088	2	115.5799	4.263	14	115.8942	3.220	27	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:1:1:	4:3:3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-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[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(H)2	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	117.7880	0.000	1	117.7880	0.000	1	115.5799	4.263	14	115.8942	3.220	27	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:1:1:	4:3:3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5a,6]C[5,6]H)(C[5]C[5,6]C[6a]H)(H)2	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[5](C[5,6]C[5a,6]C[5,6]H)(C[5]C[5,6]C[6a]H)(H)2{1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,5|H<1>}	118.0770	0.000	1	118.0770	0.000	1	115.5799	4.263	14	115.8942	3.220	27	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:1:1:	4:3:3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[5](C[5,6]N[5,6]C[6]2)(C[5]C[5,6]C[6a]H)(H)2	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|S<4>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]N[5,6]C[6]2)(C[5]C[5,6]C[6a]H)(H)2{1|S<4>,2|C<3>,3|C<4>,5|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,5|H<1>}	114.5890	0.000	1	114.5890	0.000	1	115.5799	4.263	14	115.8942	3.220	27	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:1:1:	4:3:3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(H)2	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,5|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	113.8210	0.407	2	113.8210	0.166	2	115.5799	4.263	14	115.8942	3.220	27	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:1:1:	4:3:3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5a,6]O[5,6]H)(C[5]C[5,6]C[6a]H)(H)2	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5a,6]O[5,6]H)(C[5]C[5,6]C[6a]H)(H)2{1|C<4>,5|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	117.5520	0.000	1	117.5520	0.000	1	115.5799	4.263	14	115.8942	3.220	27	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:1:1:	4:3:3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(H)2	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|O<2>,3|C<3>,3|H<1>}	115.4150	0.000	1	115.4150	0.000	1	115.5799	4.263	14	115.8942	3.220	27	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:1:1:	4:3:3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[5](C[5,6]O[5,6]C[6]N)(C[5]C[5,6]C[6a]H)(H)2	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|N<3>,3|H<1>,4|C<3>}	C[5](C[5,6]O[5,6]C[6]N)(C[5]C[5,6]C[6a]H)(H)2{1|C<2>,1|O<1>,4|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<2>,1|C<4>,1|O<2>,2|C<3>,4|H<1>}	116.8030	2.649	2	116.8030	7.016	2	115.5799	4.263	14	115.8942	3.220	27	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:1:1:	4:3:3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(H)2	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,5|H<1>}	115.3080	0.946	2	115.3080	0.895	2	115.5799	4.263	14	115.8942	3.220	27	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:1:1:	4:3:3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[5,6]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]2C)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[5](C[5]C[5,6]C[6a]H)(C[5,6]C[5,6]2C)(H)2	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]2C)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6]C[6a]H)(C[5,6]C[5,6]2C)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,4|H<1>}	114.7500	0.000	1	114.7500	0.000	1	114.7500	0.000	1	115.8942	3.220	27	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:1:1:	4:3:3:	C[5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5]HH)(C[5,5]C[5]3)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]C[6a]H)(H)2	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]HH)(C[5,5]C[5]3)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]C[6a]H)(H)2{1|H<1>,1|N<3>,1|O<1>,7|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	116.3610	0.451	2	116.3610	0.204	2	116.3610	0.204	2	115.8942	3.220	27	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:1:1:	4:3:3:	P[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](P[5]N[5,5]C[6a]Se)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	C[5](C[5,5]N[5,5]Se[5]C)(C[5]C[6a]P[5]H)(H)2	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2	C[5](P[5]N[5,5]C[6a]Se)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){1|Se<2>,1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[5](C[5,5]N[5,5]Se[5]C)(C[5]C[6a]P[5]H)(H)2{1|Se<1>,1|N<2>,4|C<3>}	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2{1|Se<1>,1|C<4>,1|N<3>,2|C<3>,4|H<1>}	116.9145	0.971	2	116.9145	0.943	2	117.4267	1.258	3	115.8942	3.220	27	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:1:1:	4:3:3:	P[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](P[5]N[5,5]C[6a]Se)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	C[5](C[5,5]N[5,5]Se[5]H)(C[5]C[6a]P[5]H)(H)2	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2	C[5](P[5]N[5,5]C[6a]Se)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){1|Se<2>,1|N<2>,3|H<1>,4|C<3>}	C[5](C[5,5]N[5,5]Se[5]H)(C[5]C[6a]P[5]H)(H)2{1|Se<1>,1|N<2>,4|C<3>}	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2{1|Se<1>,1|C<4>,1|N<3>,2|C<3>,4|H<1>}	118.4510	0.000	1	118.4510	0.000	1	117.4267	1.258	3	115.8942	3.220	27	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:2:1:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5]HO)2(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5]H)(OH)(H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(C[5]C[5]2H)	C[5](C[5]C[5,5]HO)2(C[6a]C[6a]2)(H){1|C<3>,1|N<3>,3|H<1>,3|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5]H)(OH)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(C[5]C[5]2H){1|Br<1>,1|C<3>,2|H<1>,2|O<2>,3|C<4>}	117.6805	0.576	2	117.6805	0.332	2	117.6805	0.332	2	116.8293	2.340	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:2:1:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[6a]C[5]H)(CN)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[6a]C[5]H)(CN)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<2>,1|C<3>,2|C<4>,5|H<1>}	115.1270	0.000	1	115.1270	0.000	1	115.1270	0.000	1	116.8293	2.340	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:3:1:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[4,5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[4,5]C[6a]H)(C[5]C[4,5]HH)(C[6a]C[6a]2)(H)	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[4,5]C[6a]H)(C[5]C[4,5]HH)(C[6a]C[6a]2)(H){1|O<2>,3|H<1>,6|C<3>}	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<3>,2|C<4>,5|H<1>}	113.3060	0.000	1	113.5090	0.082	2	113.5090	0.082	2	115.4431	2.242	29	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:3:1:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[4,5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[4,5]C[6a]H)(C[5]C[4,5]HH)(C[6a]C[6a]2)(H)	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[4,5]C[6a]H)(C[5]C[4,5]HH)(C[6a]C[6a]2)(H){1|O<2>,4|H<1>,5|C<3>}	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<3>,2|C<4>,5|H<1>}	113.7120	0.000	1	113.5090	0.082	2	113.5090	0.082	2	115.4431	2.242	29	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:3:1:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]N[5,5]CH)(C[6a]C[6a]2)(H)	C[5](C[5,5]N[5,5]S[5]H)(C[5]C[6a]C[5]H)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]N[5,5]CH)(C[6a]C[6a]2)(H){1|S<2>,3|C<3>,3|H<1>}	C[5](C[5,5]N[5,5]S[5]H)(C[5]C[6a]C[5]H)(CC[6a]O)(H){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	114.7880	0.697	2	114.7880	0.486	2	114.6685	0.337	4	115.4431	2.242	29	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:3:1:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){3|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[6a]O)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	114.5490	0.683	2	114.5490	0.467	2	114.6685	0.337	4	115.4431	2.242	29	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:3:1:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,6|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<3>,2|C<4>,5|H<1>}	113.8590	0.000	1	115.2070	1.662	3	115.2070	1.662	3	115.4431	2.242	29	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:3:1:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){1|N<3>,3|H<1>,6|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<3>,2|C<4>,5|H<1>}	115.3340	0.000	1	115.2070	1.662	3	115.2070	1.662	3	115.4431	2.242	29	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:3:1:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){1|O<2>,3|H<1>,6|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<3>,2|C<4>,5|H<1>}	116.4280	0.000	1	115.2070	1.662	3	115.2070	1.662	3	115.4431	2.242	29	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:3:1:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5]H)(CCO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){3|H<1>,5|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5]H)(CCO)(H){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){2|C<3>,2|C<4>,5|H<1>}	117.3495	1.269	2	117.3495	1.611	2	116.8768	0.871	4	115.4431	2.242	29	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:3:1:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,6]CH)(C[5]N[5,6]CC)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[6a]C[5]H)(CHO)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,6]CH)(C[5]N[5,6]CC)(C[6a]C[6a]2)(H){3|H<1>,4|C<3>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[6a]C[5]H)(CHO)(H){2|C<2>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,2|C<2>,2|C<3>,3|H<1>}	116.6360	0.000	1	116.6360	0.000	1	116.8768	0.871	4	115.4431	2.242	29	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:3:1:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]CH)(C[6a]C[6a]2)(H)	C[5](C[5,6]N[5,6]C[6a]C[6])(C[5]C[6a]C[5]H)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]CH)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[5](C[5,6]N[5,6]C[6a]C[6])(C[5]C[6a]C[5]H)(CC[6a]O)(H){1|C<4>,1|N<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	116.1720	0.000	1	116.1720	0.000	1	116.8768	0.871	4	115.4431	2.242	29	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:3:1:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]BrC)(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]BrC)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]BrC)(C[6a]C[6a]2)(H){1|Br<1>,1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]BrC)(C[6a]C[6a]2)(H){1|Br<1>,1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|Br<1>,2|C<4>,3|C<3>,3|H<1>}	117.0495	0.465	2	117.0495	0.216	2	115.5644	2.483	16	115.4431	2.242	29	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:3:1:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,7|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	114.8885	2.064	4	114.8885	4.262	4	115.5644	2.483	16	115.4431	2.242	29	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:3:1:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	115.5378	1.414	10	115.5378	2.000	10	115.5644	2.483	16	115.4431	2.242	29	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:3:1:	4:2:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:N[6a]-2:N[6a]-3:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6a]N[6a]2)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5]H)(N[6a]C[6a,6a])(N[6a]C[6a]2)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6a]N[6a]2)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,7|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,5]C[5]H)(N[6a]C[6a,6a])(N[6a]C[6a]2){1|C<4>,1|H<1>,1|N<3>,1|O<1>,7|C<3>}	111.6390	0.000	1	111.6390	0.000	1	111.6390	0.000	1	111.6390	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[4,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[5]C[4,5]C[6a]H)(C[5]C[4,5]HH)(C[6a]C[6a]2)(H)	C[6a](C[5]C[4,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,4|C<3>,5|H<1>}	C[5](C[5]C[4,5]C[6a]H)(C[5]C[4,5]HH)(C[6a]C[6a]2)(H){1|O<2>,4|H<1>,5|C<3>}	C[6a](C[5]C[4,5]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	116.6720	0.000	1	115.9585	1.018	2	115.9585	1.018	2	115.4531	4.801	57	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[4,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[5]C[4,5]C[6a]H)(C[5]C[4,5]HH)(C[6a]C[6a]2)(H)	C[6a](C[5]C[4,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[5](C[5]C[4,5]C[6a]H)(C[5]C[4,5]HH)(C[6a]C[6a]2)(H){1|O<2>,3|H<1>,6|C<3>}	C[6a](C[5]C[4,5]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	115.2450	0.000	1	115.9585	1.018	2	115.9585	1.018	2	115.4531	4.801	57	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5,5]C[6a]H)(CC[6a]O)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){1|Br<1>,1|N<3>,4|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5,5]C[6a]H)(CC[6a]O)(H){1|C<4>,1|O<1>,2|H<1>,2|N<3>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	114.9100	0.000	1	114.9100	0.000	1	114.8972	4.958	17	115.4531	4.801	57	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,6a]2N[5,5])(C[5]C[5,5]C[6a]H)(CC[5]O)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){1|C<4>,1|S<2>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]2N[5,5])(C[5]C[5,5]C[6a]H)(CC[5]O)(H){1|H<1>,1|N<2>,2|C<4>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	112.8380	1.155	2	112.8380	1.335	2	114.8972	4.958	17	115.4531	4.801	57	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CCO)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){1|Br<1>,2|C<4>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CCO)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<4>,2|C<3>,2|C<4>,4|H<1>}	117.1325	0.798	2	117.1325	0.637	2	114.8972	4.958	17	115.4531	4.801	57	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CCO)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){1|Cl<1>,2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CCO)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	114.4350	0.000	1	114.4350	0.000	1	114.8972	4.958	17	115.4531	4.801	57	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CCO)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CCO)(H){1|H<1>,1|O<1>,2|C<4>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	119.8400	0.000	1	116.8620	4.920	4	114.8972	4.958	17	115.4531	4.801	57	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CCO)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CCO)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	116.5585	0.293	2	116.8620	4.920	4	114.8972	4.958	17	115.4531	4.801	57	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CCO)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CCO)(H){1|H<1>,1|O<1>,2|C<4>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	114.4910	0.000	1	116.8620	4.920	4	114.8972	4.958	17	115.4531	4.801	57	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CC[6a]O)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){1|Cl<1>,2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CC[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	115.6630	0.000	1	115.6630	0.000	1	114.8972	4.958	17	115.4531	4.801	57	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CC[6a]O)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){1|N<3>,4|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CC[6a]O)(H){1|C<4>,1|H<1>,1|O<1>,2|N<3>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	111.3950	0.000	1	113.8103	6.440	3	114.8972	4.958	17	115.4531	4.801	57	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CC[6a]O)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CC[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	115.0180	2.032	2	113.8103	6.440	3	114.8972	4.958	17	115.4531	4.801	57	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CC[6a]O)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]N[5a]N[6a])(C[6a]C[6a,6a]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CC[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]N[5a]N[6a])(C[6a]C[6a,6a]H){1|N<2>,1|N<3>,2|C<4>,2|H<1>,4|C<3>}	111.9860	0.000	1	111.9860	0.000	1	114.8972	4.958	17	115.4531	4.801	57	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	C[5](C[5,5]N[5,5]C[5]2)(C[5]C[5,5]C[6a]H)(CC[6a]O)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,4|H<1>}	C[5](C[5,5]N[5,5]C[5]2)(C[5]C[5,5]C[6a]H)(CC[6a]O)(H){1|H<1>,2|C<4>,2|O<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	113.7195	0.449	2	113.7195	0.202	2	114.8972	4.958	17	115.4531	4.801	57	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,6a]2N[5,5])(C[5]C[5,5]C[6a]H)(C[5]C[5]O[5])(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,4|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]2N[5,5])(C[5]C[5,5]C[6a]H)(C[5]C[5]O[5])(H){1|H<1>,1|N<3>,2|C<4>,2|N<2>,6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	114.3780	0.000	1	114.3780	0.000	1	114.3780	0.000	1	115.4531	4.801	57	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[5a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[5a]H)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5a]C[5a]O[5a])(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[5a]H)(C[6a]C[6a]2)(H){1|Br<1>,1|O<2>,2|C<4>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5a]C[5a]O[5a])(H){1|H<1>,1|N<2>,1|O<1>,2|C<4>,2|N<3>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	115.4390	0.000	1	115.4390	0.000	1	115.4390	0.000	1	115.4531	4.801	57	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<2>,4|H<1>,6|C<3>}	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	115.0120	0.000	1	115.0120	0.000	1	114.8119	2.421	7	115.4531	4.801	57	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|H<1>,6|C<3>}	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<2>,4|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	114.8020	0.000	1	114.8020	0.000	1	114.8119	2.421	7	115.4531	4.801	57	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]2)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]2)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H){1|Cl<1>,1|C<4>,2|O<2>,5|H<1>,7|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H){1|Cl<1>,1|O<2>,2|C<4>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<3>,3|H<1>,4|C<4>}	113.3530	0.000	1	113.3530	0.000	1	114.8119	2.421	7	115.4531	4.801	57	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]2)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]2)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>,7|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|H<1>,7|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	117.0590	0.000	1	117.0590	0.000	1	114.8119	2.421	7	115.4531	4.801	57	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,5]C[5]2)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H){1|Cl<1>,1|O<2>,2|C<4>,3|H<1>,6|C<3>}	C[5](C[5,5]C[5,5]C[5]2)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H){1|Cl<1>,1|C<4>,2|O<2>,5|H<1>,7|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	114.9830	0.000	1	114.9830	0.000	1	114.8119	2.421	7	115.4531	4.801	57	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,5]C[5]2)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|H<1>,7|C<3>}	C[5](C[5,5]C[5,5]C[5]2)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>,7|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,4|H<1>}	116.0560	0.000	1	116.0560	0.000	1	114.8119	2.421	7	115.4531	4.801	57	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6a]N[6a]2)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,2|C<4>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6a]N[6a]2)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,7|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	112.4180	0.000	1	112.4180	0.000	1	114.8119	2.421	7	115.4531	4.801	57	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]2N[5,5])(C[5]C[5,5]HN)(C[6a]C[6a]2)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(NOO)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]2N[5,5])(C[5]C[5,5]HN)(C[6a]C[6a]2)(H){1|N<2>,2|C<4>,3|H<1>,5|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(NOO)(H){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|N<3>,3|C<3>,3|H<1>}	118.9540	0.000	1	118.4035	0.606	2	117.7084	1.429	8	115.4531	4.801	57	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]2N[5,5])(C[5]C[5,5]HN)(C[6a]C[6a]2)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(NOO)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]2N[5,5])(C[5]C[5,5]HN)(C[6a]C[6a]2)(H){1|N<2>,2|C<4>,3|H<1>,5|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(NOO)(H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|N<3>,3|C<3>,3|H<1>}	117.8530	0.000	1	118.4035	0.606	2	117.7084	1.429	8	115.4531	4.801	57	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]HN)(C[6a]C[6a]2)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(NOO)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]HN)(C[6a]C[6a]2)(H){1|Cl<1>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(NOO)(H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	117.0370	0.000	1	117.0370	0.000	1	117.7084	1.429	8	115.4531	4.801	57	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]HN)(C[6a]C[6a]2)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(NOO)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]HN)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(NOO)(H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|H<1>,2|N<3>,3|C<3>}	118.8570	0.000	1	118.8570	0.000	1	117.7084	1.429	8	115.4531	4.801	57	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]HN)(C[6a]C[6a]2)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(NOO)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]HN)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(NOO)(H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|N<3>,3|C<3>,3|H<1>}	117.5180	0.018	2	117.5180	0.000	2	117.7084	1.429	8	115.4531	4.801	57	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]2)(C[5]C[5,5]HN)(C[6a]C[6a]2)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(NOO)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,5]N[5,5]C[5]2)(C[5]C[5,5]HN)(C[6a]C[6a]2)(H){1|Cl<1>,2|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(NOO)(H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	115.3090	0.000	1	115.3090	0.000	1	117.7084	1.429	8	115.4531	4.801	57	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]2)(C[5]C[5,5]HN)(C[6a]C[6a]2)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(NOO)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]2)(C[5]C[5,5]HN)(C[6a]C[6a]2)(H){2|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(NOO)(H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>,3|N<3>}	118.6210	0.000	1	118.6210	0.000	1	117.7084	1.429	8	115.4531	4.801	57	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,6|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	116.8240	0.000	1	115.8040	4.107	3	115.8040	4.107	3	115.4531	4.801	57	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){1|O<2>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	117.1180	0.000	1	115.8040	4.107	3	115.8040	4.107	3	115.4531	4.801	57	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,5|H<1>,6|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){1|N<3>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	113.4700	0.000	1	115.8040	4.107	3	115.8040	4.107	3	115.4531	4.801	57	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,6a]N[5,6]C[5])(C[5]C[5,6]C[6a]H)(CCO)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5]CH)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]N[5,6]C[5])(C[5]C[5,6]C[6a]H)(CCO)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	114.9345	1.392	2	114.9345	1.938	2	114.9345	1.938	2	115.4531	4.801	57	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6a]O[6])(C[5]C[5,6]CH)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[6,6a]C[5,6]O)(C[5]C[5,6]C[6a]H)(CN[5]O)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6a]O[6])(C[5]C[5,6]CH)(C[6a]C[6a]2)(H){2|O<2>,3|H<1>,6|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]O)(C[5]C[5,6]C[6a]H)(CN[5]O)(H){1|H<1>,2|O<2>,5|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	110.8715	0.709	2	110.8715	0.503	2	110.8715	0.503	2	115.4531	4.801	57	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H){2|C<4>,2|O<2>,6|C<3>,6|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H){1|O<2>,3|C<4>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{2|C<3>,3|H<1>,4|C<4>}	116.2810	0.000	1	116.2810	0.000	1	116.5884	5.307	8	115.4531	4.801	57	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H){1|O<2>,3|C<4>,4|H<1>,5|C<3>}	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H){2|C<4>,2|O<2>,6|C<3>,6|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,4|H<1>}	115.2970	0.000	1	115.2970	0.000	1	116.5884	5.307	8	115.4531	4.801	57	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,2|H<1>,2|N<2>,4|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<2>,2|C<4>,3|C<3>,3|H<1>}	113.8020	1.164	2	115.5267	4.577	4	116.5884	5.307	8	115.4531	4.801	57	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,2|H<1>,2|N<2>,4|C<3>}	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	117.2515	0.691	2	115.5267	4.577	4	116.5884	5.307	8	115.4531	4.801	57	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]N[5,6,6]C[6,6a]H)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[5](C[5,6]N[5,6,6]C[6,6a]H)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6]N[5,6,6]C[6,6a]H)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H){2|H<1>,9|C<3>}	C[5](C[5,6]N[5,6,6]C[6,6a]H)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H){2|H<1>,9|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	119.5110	0.253	2	119.5110	0.064	2	116.5884	5.307	8	115.4531	4.801	57	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:N-3:Br-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]BrN)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]C[6a]H)(NOO)(Br)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]BrN)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]C[6a]H)(NOO)(Br){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|Br<1>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	114.3300	0.000	1	114.3300	0.000	1	114.3300	0.000	1	115.4531	4.801	57	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:N-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HN)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]C[6a]H)(NOO)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HN)(C[6a]C[6a]2)(H){1|Cl<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]C[6a]H)(NOO)(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	115.0235	1.271	2	115.0235	1.615	2	115.0235	1.615	2	115.4531	4.801	57	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[5,5]-4:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5]CH)(C[5,5]C[5]3)(C[6a]C[6a]2)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5,5]C[5]3)(CCC)(H)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]CH)(C[5,5]C[5]3)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5,5]C[5]3)(CCC)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	116.0940	0.000	1	116.0940	0.000	1	116.0940	0.000	1	115.4531	4.801	57	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,6]C[6a]H)(C[5,6]C[5,6]2C)(C[6a]C[6a]2)(H)	C[5](C[5]C[5,6]C[6a]H)(C[5,6]C[5,6]2C)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5]C[5,6]C[6a]H)(C[5,6]C[5,6]2C)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,5|C<3>}	C[5](C[5]C[5,6]C[6a]H)(C[5,6]C[5,6]2C)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	114.1450	2.331	2	114.1450	5.432	2	114.1450	5.432	2	115.4531	4.801	57	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:3:2:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C-3:C-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CC)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,6a]2N[5,5])(C[5]C[5,5]C[6a]H)(COO)(CN)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CC)(C[6a]C[6a]2)(H){1|C<4>,1|S<2>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]2N[5,5])(C[5]C[5,5]C[6a]H)(COO)(CN){1|H<1>,1|N<2>,2|C<4>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<2>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	118.7440	0.000	1	118.7440	0.000	1	118.8925	0.044	2	118.8925	0.044	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:3:2:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C-3:C-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CC)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(COO)(CN)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CC)(C[6a]C[6a]2)(H){1|C<4>,1|S<2>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(COO)(CN){1|H<1>,1|O<1>,2|C<4>,5|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<2>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	119.0410	0.000	1	119.0410	0.000	1	118.8925	0.044	2	118.8925	0.044	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(CH3)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(CH3)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,4|H<1>}	115.3190	0.000	1	115.6905	0.276	2	115.7917	0.169	3	115.7917	0.169	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(CH3)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)(C[6a]C[6a]2)(H){2|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(CH3)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	116.0620	0.000	1	115.6905	0.276	2	115.7917	0.169	3	115.7917	0.169	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]CH)(C[6a]C[6a]2)(H)	C[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6]C[6a]H)(CH3)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]CH)(C[6a]C[6a]2)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6]C[6a]H)(CH3)(H){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	115.9940	0.000	1	115.9940	0.000	1	115.7917	0.169	3	115.7917	0.169	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:4:2:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C-4:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(CH3)(OH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){3|H<1>,5|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(CH3)(OH){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	115.7670	0.000	1	115.7670	0.000	1	115.7670	0.000	1	116.1675	0.321	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:4:2:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[6a]C[5]H)(CCHH)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[6a]C[5]H)(CCHH)(OH){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	116.5680	0.000	1	116.5680	0.000	1	116.5680	0.000	1	116.1675	0.321	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:4:3:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C-4:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CC)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CCHH)(CCO)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CC)(C[6a]C[6a]2)(H){1|C<4>,1|S<2>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CCHH)(CCO){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	118.9985	0.600	2	118.9985	0.360	2	118.9985	0.360	2	118.7662	0.830	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:4:3:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C-4:N-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CN)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CH3)(NOO)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CN)(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CH3)(NOO){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|N<3>,3|C<4>,3|H<1>}	119.5120	0.000	1	119.5120	0.000	1	118.5340	1.913	2	118.7662	0.830	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	4:4:4:3:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C-4:N-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CN)(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CHHO)(NOO)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CN)(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CHHO)(NOO){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|N<3>,3|C<4>,3|H<1>}	117.5560	0.000	1	117.5560	0.000	1	118.5340	1.913	2	118.7662	0.830	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	6:4:1:1:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5x3,6x5,20x6]-6:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5x3,6x5,20x6]CH)(C[5]C[5x3,6x5,20x6]HH)(C[6a]C[6a]2)(H)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[6a]C[5]H)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5x3,6x5,20x6]CH)(C[5]C[5x3,6x5,20x6]HH)(C[6a]C[6a]2)(H){2|C<3>,2|H<1>,6|B<6>}	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[6a]C[5]H)(H)2{1|C<4>,2|C<3>,5|B<6>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|C<4>,2|C<6>,5|H<1>}	113.6470	0.000	1	113.6470	0.000	1	112.9170	2.731	3	112.9170	2.731	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	6:4:1:1:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5x3,6x5,20x6]-6:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5x3,6x5,20x6]HH)2(C[6a]C[6a]2)(H)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[6a]C[5]H)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5x3,6x5,20x6]HH)2(C[6a]C[6a]2)(H){2|C<3>,2|H<1>,6|B<6>}	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[6a]C[5]H)(H)2{2|C<3>,5|B<6>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,2|C<6>,6|H<1>}	112.5520	2.160	2	112.5520	4.663	2	112.9170	2.731	3	112.9170	2.731	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:1:	6:4:4:1:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5x3,6x5,20x6]-6:C[5]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5x3,6x5,20x6]CH)(C[5]C[5x3,6x5,20x6]HH)(C[6a]C[6a]2)(H)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[6a]C[5]H)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H)	C[5](C[5]C[5x3,6x5,20x6]CH)(C[5]C[5x3,6x5,20x6]HH)(C[6a]C[6a]2)(H){2|C<3>,2|H<1>,6|B<6>}	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[6a]C[5]H)(CCHH)(H){2|C<3>,5|B<6>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2H){1|C<3>,1|C<4>,2|C<6>,5|H<1>}	112.1460	0.000	1	112.1460	0.000	1	112.1460	0.000	1	112.1460	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:2:	3:4:1:1:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:O-2:	C[5,6a]-3:C[5]-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]HH)(C[6a]C[6a]2)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HH)(C[6a]C[6a]2)(OH){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(H)2{1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|C<4>,4|C<3>,4|H<1>}	112.9455	2.381	2	112.9455	5.668	2	112.9455	5.668	2	112.9455	5.668	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:2:	3:4:4:3:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C-4:C-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HH)(C[6a]C[6a]2)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(CH3)(COO)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HH)(C[6a]C[6a]2)(OH){2|H<1>,4|C<3>}	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[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|C<4>,4|C<3>,4|H<1>}	112.8135	3.589	2	112.8135	12.878	2	112.8135	12.878	2	112.8135	12.878	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:2:	4:4:1:1:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:O-2:	C[5,5]-4:C[5]-4:F-1:F-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5]FF)(C[5]C[5,5]HH)(C[6a]C[6a]2)(OH)	C[5](C[5,5]C[5,5]2H)(C[5]C[6a]C[5]O)(F)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[5]C[5,5]FF)(C[5]C[5,5]HH)(C[6a]C[6a]2)(OH){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]2H)(C[5]C[6a]C[5]O)(F)2{2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|C<3>,2|C<4>,2|F<1>,4|H<1>}	114.3570	0.000	1	114.3570	0.000	1	114.3570	0.000	1	114.1437	2.031	15	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:2:	4:4:1:1:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:O-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HH)(C[6a]C[6a]2)(OH)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]O)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HH)(C[6a]C[6a]2)(OH){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]O)(H)2{2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	114.8990	0.000	1	114.8990	0.000	1	114.1285	2.183	14	114.1437	2.031	15	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:2:	4:4:1:1:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:O-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5]FF)(C[5]C[5,5]HH)(C[6a]C[6a]2)(OH)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]O)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[5]C[5,5]FF)(C[5]C[5,5]HH)(C[6a]C[6a]2)(OH){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]O)(H)2{2|C<3>,2|C<4>,2|F<1>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|C<3>,2|C<4>,2|F<1>,4|H<1>}	117.1920	0.000	1	117.1920	0.000	1	114.1285	2.183	14	114.1437	2.031	15	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:2:	4:4:1:1:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:O-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5]HH)2(C[6a]C[6a]2)(OH)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]O)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[5]C[5,5]HH)2(C[6a]C[6a]2)(OH){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]O)(H)2{2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|C<3>,2|C<4>,6|H<1>}	113.8090	1.250	12	113.8090	1.562	12	114.1285	2.183	14	114.1437	2.031	15	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:2:	4:4:1:1:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:O-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]HH)(C[6a]C[6a]2)(OH)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]C[6a]O)(H)2	C[6a](C[5]C[5,5]C[5]O)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]HH)(C[6a]C[6a]2)(OH){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]C[6a]O)(H)2{1|H<1>,1|N<3>,1|O<1>,7|C<3>}	C[6a](C[5]C[5,5]C[5]O)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	115.9942	1.416	5	115.8015	1.826	6	115.8015	1.826	6	115.8015	1.826	6	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:2:	4:4:1:1:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:O-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]HH)(C[6a]C[6a]2)(OH)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]C[6a]O)(H)2	C[6a](C[5]C[5,5]C[5]O)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]HH)(C[6a]C[6a]2)(OH){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]C[6a]O)(H)2{1|H<1>,1|O<1>,8|C<3>}	C[6a](C[5]C[5,5]C[5]O)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	114.8380	0.000	1	115.8015	1.826	6	115.8015	1.826	6	115.8015	1.826	6	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:2:	4:4:2:1:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:O-2:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]HO)(C[6a]C[6a]2)(OH)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]C[6a]O)(OC)(H)	C[6a](C[5]C[5,5]C[5]O)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]HO)(C[6a]C[6a]2)(OH){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]C[6a]O)(OC)(H){1|H<1>,1|N<3>,1|O<1>,7|C<3>}	C[6a](C[5]C[5,5]C[5]O)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	116.0793	0.553	3	116.0793	0.305	3	116.0793	0.305	3	116.0793	0.305	3	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:2:	4:4:4:2:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:O-2:	C[5,5]-4:C[5]-4:C-4:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HH)(C[6a]C[6a]2)(OH)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]O)(CH3)(OC)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O)	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HH)(C[6a]C[6a]2)(OH){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]O)(CH3)(OC){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2O){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	114.5490	0.000	1	114.5490	0.000	1	114.5490	0.000	1	114.5490	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:3:	3:4:1:1:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:C-3:	C[5,6]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,6]HH)2(C[6a]C[6a]2)(COO)	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5]C)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[5]C[5,6]HH)2(C[6a]C[6a]2)(COO){2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5]C)(H)2{1|S<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){3|C<3>,6|H<1>}	114.6295	0.450	2	114.7177	0.112	4	114.7177	0.112	4	114.7177	0.112	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:3:	3:4:1:1:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:C-3:	C[5,6]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,6]HH)2(C[6a]C[6a]2)(COO)	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5]C)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[5]C[5,6]HH)2(C[6a]C[6a]2)(COO){2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5]C)(H)2{3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){3|C<3>,6|H<1>}	114.8060	0.321	2	114.7177	0.112	4	114.7177	0.112	4	114.7177	0.112	4	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:3:	3:4:1:1:	4:3:3:	C[5,6]-4:C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]HH)(C[6a]C[6a]2)2	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]C[6a]2)(H)2	C[6a](C[5]C[5,6]C[6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]HH)(C[6a]C[6a]2)2{2|C<4>,5|C<3>,7|H<1>}	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]C[6a]2)(H)2{1|N<2>,2|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,6]C[6a]C[5])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,5|H<1>}	111.2405	4.788	2	111.2405	22.923	2	111.2405	22.923	2	111.4472	5.015	24	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:3:	3:4:1:1:	4:3:3:	C[5]-4:C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5,6]HH)(C[5]N[5,5]HH)(C[6a]C[6a]2)2	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[6a]2C[5])(H)2	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[5]C[5,5,6]HH)(C[5]N[5,5]HH)(C[6a]C[6a]2)2{2|C<4>,4|H<1>,5|C<3>}	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[6a]2C[5])(H)2{1|N<2>,2|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,6|H<1>}	111.7293	1.660	4	111.7293	2.755	4	111.4660	4.397	22	111.4472	5.015	24	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:3:	3:4:1:1:	4:3:3:	C[5]-4:C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(C[6a]C[6a]2)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]2C[5])(H)2	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(C[6a]C[6a]2)2{1|C<4>,5|C<3>,5|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]2C[5])(H)2{1|C<4>,1|N<2>,3|H<1>,5|C<3>}	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,6|H<1>}	111.2520	2.120	4	111.3841	5.001	14	111.4660	4.397	22	111.4472	5.015	24	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:3:	3:4:1:1:	4:3:3:	C[5]-4:C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(C[6a]C[6a]2)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]2C[5])(H)2	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(C[6a]C[6a]2)2{1|C<4>,5|C<3>,5|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]2C[5])(H)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,6|H<1>}	111.9670	0.895	2	111.3841	5.001	14	111.4660	4.397	22	111.4472	5.015	24	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:3:	3:4:1:1:	4:3:3:	C[5]-4:C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(C[6a]C[6a]2)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]2C[5])(H)2	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(C[6a]C[6a]2)2{1|C<4>,5|C<3>,5|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]2C[5])(H)2{1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,6|H<1>}	111.5078	0.623	4	111.3841	5.001	14	111.4660	4.397	22	111.4472	5.015	24	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:3:	3:4:1:1:	4:3:3:	C[5]-4:C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(C[6a]C[6a]2)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]2C[5])(H)2	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(C[6a]C[6a]2)2{1|C<4>,5|C<3>,5|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]2C[5])(H)2{1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,6|H<1>}	110.5410	6.685	2	111.3841	5.001	14	111.4660	4.397	22	111.4472	5.015	24	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:3:	3:4:1:1:	4:3:3:	C[5]-4:C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(C[6a]C[6a]2)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]2C[5])(H)2	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(C[6a]C[6a]2)2{1|C<4>,5|C<3>,5|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]2C[5])(H)2{1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,6|H<1>}	111.6610	1.577	2	111.3841	5.001	14	111.4660	4.397	22	111.4472	5.015	24	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:3:	3:4:1:1:	4:3:3:	C[5]-4:C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(C[6a]C[6a]2)2	C[5](N[5,5]C[5,5]S[5])(C[5]C[6a]2C[5])(H)2	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(C[6a]C[6a]2)2{1|C<4>,1|S<4>,4|C<3>,5|H<1>}	C[5](N[5,5]C[5,5]S[5])(C[5]C[6a]2C[5])(H)2{1|C<4>,1|N<3>,2|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,6|H<1>}	111.4898	2.496	4	111.4898	6.228	4	111.4660	4.397	22	111.4472	5.015	24	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:3:	4:3:2:1:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:C-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(COO)	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(COO){1|O<1>,2|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|O<2>,4|C<3>,4|H<1>}	116.5940	0.000	1	116.5940	0.000	1	114.7950	6.473	2	114.7950	6.473	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:3:	4:3:2:1:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:C-3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[3,5]HH)(C[6a]C[6a]2)(COO)	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(O[5]C[3,5])(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[5]C[6a]O[5]H)(C[5]C[3,5]HH)(C[6a]C[6a]2)(COO){2|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(O[5]C[3,5])(H){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	112.9960	0.000	1	112.9960	0.000	1	114.7950	6.473	2	114.7950	6.473	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:3:	4:3:3:1:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:C-3:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(COO)	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]O[5]O)(H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(COO){1|O<1>,2|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]O[5]O)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|O<2>,4|C<3>,4|H<1>}	111.4790	0.000	1	111.4790	0.000	1	111.4790	0.000	1	111.4790	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:3:	4:4:1:1:	3:3:4:	C[5]-4:C[5]-4:C[6a]-3:C-3:	C[3,5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[5]C[3,5]HH)(C[6a]C[6a]2)(COO)	C[5](C[3,5]C[3]2O[5])(C[5]C[6a]C[5]C)(H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C[5](C[5]C[6a]O[5]H)(C[5]C[3,5]HH)(C[6a]C[6a]2)(COO){2|C<4>,2|H<1>,4|C<3>}	C[5](C[3,5]C[3]2O[5])(C[5]C[6a]C[5]C)(H)2{3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	109.7650	0.000	1	109.7650	0.000	1	109.7650	0.000	1	109.7650	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:3:	4:4:1:1:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:C-3:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[3,5]HH)(C[6a]C[6a]2)(COO)	C[5](C[3,5]C[5,5]C[3]2)(C[5]C[5,5]C[6a]C)(H)2	C[6a](C[5]C[5,5]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[3,5]HH)(C[6a]C[6a]2)(COO){3|C<3>,3|C<4>,5|H<1>}	C[5](C[3,5]C[5,5]C[3]2)(C[5]C[5,5]C[6a]C)(H)2{1|C<4>,3|C<3>,6|H<1>}	C[6a](C[5]C[5,5]C[5]C)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,5|H<1>}	111.6350	0.000	1	111.6350	0.000	1	111.6350	0.000	1	112.3924	6.317	25	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:3:	4:4:1:1:	4:3:3:	C[5,6]-4:C[5]-4:C[6a]-3:C-3:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(C[6a]C[6a]2)(CCO)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C[6a]C)(H)2	C[6a](C[5]C[5,6]C[5]C)(C[6a]C[6a]H)2	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(C[6a]C[6a]2)(CCO){4|C<3>,5|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C[6a]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5,6]C[5]C)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,5|H<1>}	116.5535	0.564	2	116.5535	0.318	2	116.5535	0.318	2	112.3924	6.317	25	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:3:	4:4:1:1:	4:3:3:	C[5]-4:C[5]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5,6]HH)(C[5]N[5,5]HH)(C[6a]C[6a]2)2	C[5](C[5,5,6]C[5,6]N[5,5]C[6])(C[5]C[6a]2C[5])(H)2	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[5]C[5,5,6]HH)(C[5]N[5,5]HH)(C[6a]C[6a]2)2{2|C<4>,4|H<1>,5|C<3>}	C[5](C[5,5,6]C[5,6]N[5,5]C[6])(C[5]C[6a]2C[5])(H)2{1|N<2>,2|C<4>,5|C<3>,5|H<1>}	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,6|H<1>}	112.7955	1.796	4	112.7955	3.225	4	112.7955	3.225	4	112.3924	6.317	25	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:3:	4:4:1:1:	4:3:3:	C[5]-4:C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(C[6a]C[6a]2)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]2C[5])(H)2	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(C[6a]C[6a]2)2{1|C<4>,1|S<4>,4|C<3>,5|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]2C[5])(H)2{1|N<3>,1|S<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,6|H<1>}	111.8020	1.750	4	111.8826	5.946	18	111.8826	5.946	18	112.3924	6.317	25	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:3:	4:4:1:1:	4:3:3:	C[5]-4:C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(C[6a]C[6a]2)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]2C[5])(H)2	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(C[6a]C[6a]2)2{1|C<4>,5|C<3>,5|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]2C[5])(H)2{1|C<4>,3|H<1>,6|C<3>}	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,6|H<1>}	111.7335	4.185	2	111.8826	5.946	18	111.8826	5.946	18	112.3924	6.317	25	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:3:	4:4:1:1:	4:3:3:	C[5]-4:C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(C[6a]C[6a]2)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]2C[5])(H)2	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(C[6a]C[6a]2)2{1|C<4>,5|C<3>,5|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]2C[5])(H)2{1|N<2>,3|H<1>,6|C<3>}	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,6|H<1>}	112.0740	3.448	4	111.8826	5.946	18	111.8826	5.946	18	112.3924	6.317	25	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:3:	4:4:1:1:	4:3:3:	C[5]-4:C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(C[6a]C[6a]2)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]2C[5])(H)2	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(C[6a]C[6a]2)2{1|C<4>,5|C<3>,5|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]2C[5])(H)2{1|N<3>,3|H<1>,6|C<3>}	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,6|H<1>}	110.2690	5.136	2	111.8826	5.946	18	111.8826	5.946	18	112.3924	6.317	25	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:3:	4:4:1:1:	4:3:3:	C[5]-4:C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(C[6a]C[6a]2)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]2C[5])(H)2	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(C[6a]C[6a]2)2{1|C<4>,5|C<3>,5|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]2C[5])(H)2{1|N<3>,4|H<1>,5|C<3>}	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,6|H<1>}	112.3962	1.032	6	111.8826	5.946	18	111.8826	5.946	18	112.3924	6.317	25	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:4:	3:4:3:4:	4:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:C-4:	C[5,5a]-3:C[5]-4:C[6a]-3:C-4:	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[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5,5]C[6a]C)(C[6a]C[6a]2)(CH3)	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[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[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>}	108.4060	0.000	1	108.4060	0.000	1	108.4060	0.000	1	108.4060	0.000	1	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	0:SP3_SP2_SP3	C[5]	C[5]	C[6a]	4:4:3:4:	4:4:1:1:	4:3:3:	N[5,5]-4:C[5]-4:C[6a]-3:C-4:	N[5,5]-4:C[5]-4: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[5](N[5,5]Ga[3x5]C[5]C)(C[5]N[5,5]C[6a]C)(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[5](N[5,5]Ga[3x5]C[5]C)(C[5]N[5,5]C[6a]C)(H)2{1|C<4>,3|C<3>,3|H<1>,3|O<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>}	111.4045	0.204	2	111.4045	0.042	2	111.4045	0.042	2	111.4045	0.042	2	114.5142	5.328	4354	114.7268	6.193	6932
474	474	643	6:SP3_SP2_SP3	C[5,3x6]	C[5,3x6]	C[6,6a]	3:3:4:3:	3:3:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,3x6]-4:C[6,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,3x6]-4:N[6]-3:	C[5,3x6]-4:C[6,6a]-3:C[6a]-3:	C[5,3x6](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[5,3x6]C[5,6,6a]2N[6])(C[6,6a]C[6,6a]C[6a])	C[5,3x6](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[5,3x6]C[5,6,6a]2C[6,6a])(N[6]C[6]C)	C[6,6a](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,3x6](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[5,3x6]C[5,6,6a]2N[6])(C[6,6a]C[6,6a]C[6a]){11|C<3>,1|C<4>,1|H<1>}	C[5,3x6](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[5,3x6]C[5,6,6a]2C[6,6a])(N[6]C[6]C){10|C<3>,1|O<1>}	C[6,6a](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,7|C<3>}	113.9560	0.000	1	113.9560	0.000	1	113.9560	0.000	1	113.9560	0.000	1	115.4480	0.992	4	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,3x6]	C[5,3x6]	C[6,6a]	3:3:4:3:	4:3:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,3x6]-4:C[6,6a]-3:	C[5,3x6]-4:C[5,6,6]-3:C[5,6,6]-3:C[6]-3:	C[5,3x6]-4:C[6,6a]-3:C[6a]-3:	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,3x6]C[5,6,6]2C[6])(C[6,6a]C[6,6a]C[6a])	C[5,3x6](C[5,3x6]C[5,6,6a]2C[6,6a])(C[5,6,6]C[5,6,6]2)2(C[6]C[6]H)	C[6,6a](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,3x6]C[5,6,6]2C[6])(C[6,6a]C[6,6a]C[6a]){2|C<4>,2|H<1>,9|C<3>}	C[5,3x6](C[5,3x6]C[5,6,6a]2C[6,6a])(C[5,6,6]C[5,6,6]2)2(C[6]C[6]H){11|C<3>,2|C<4>}	C[6,6a](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,9|C<3>}	116.0230	0.000	1	116.0230	0.000	1	116.0230	0.000	1	116.0230	0.000	1	115.4480	0.992	4	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,3x6]	C[5,3x6]	C[6,6a]	4:3:4:4:	4:3:4:4:	4:3:3:	C[5,3x6]-4:C[6,6a]-3:C[5,6]-4:C[5,6]-4:	C[5,3x6]-4:C[6,6a]-3:C[5,6]-4:C[5,6]-4:	C[5,3x6]-4:C[6,6a]-3:C[6a]-3:	C[5,3x6](C[5,3x6]C[6,6a]C[5,6]2)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[4,5,6]HH)2	C[5,3x6](C[5,3x6]C[6,6a]C[5,6]2)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[4,5,6]HH)2	C[6,6a](C[5,3x6]C[5,3x6]C[5,6]2)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[5,3x6](C[5,3x6]C[6,6a]C[5,6]2)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[4,5,6]HH)2{4|C<3>,4|C<4>,5|H<1>}	C[5,3x6](C[5,3x6]C[6,6a]C[5,6]2)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[4,5,6]HH)2{4|C<3>,4|C<4>,5|H<1>}	C[6,6a](C[5,3x6]C[5,3x6]C[5,6]2)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){3|C<3>,4|C<4>,6|H<1>}	115.9065	0.006	2	115.9065	0.000	2	115.9065	0.000	2	115.9065	0.000	2	115.4480	0.992	4	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,3x6]	C[5,6,6]	C[6,6,6a]	3:3:4:4:	4:4:4:1:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:C[5]-4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5]H)(C[5]C[5]CH)	C[5,6,6](C[5,3x6]C[6,6,6a]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H)	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5]H)(C[5]C[5]CH){1|C<2>,1|C<4>,4|C<3>,6|H<1>}	C[5,6,6](C[5,3x6]C[6,6,6a]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H){1|C<2>,1|C<4>,2|H<1>,4|C<3>}	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|C<4>,4|C<3>,5|H<1>}	105.1135	0.329	2	105.3225	0.276	4	105.3225	0.276	4	105.3225	0.276	4	111.0550	9.948	22	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,3x6]	C[5,6,6]	C[6,6,6a]	3:3:4:4:	4:4:4:1:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:C[5]-4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5]H)(C[5]C[5]CH)	C[5,6,6](C[5,3x6]C[6,6,6a]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H)	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5]H)(C[5]C[5]CH){1|C<2>,1|C<4>,4|C<3>,6|H<1>}	C[5,6,6](C[5,3x6]C[6,6,6a]2C[5])(C[6,6]C[3x6]HH)(C[5]C[5]HH)(H){1|C<2>,2|H<1>,5|C<3>}	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,5|C<3>,5|H<1>}	105.5315	0.739	2	105.3225	0.276	4	105.3225	0.276	4	105.3225	0.276	4	111.0550	9.948	22	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,3x6]	C[5,6,6]	C[6,6,6a]	3:4:4:1:	4:4:3:1:	3:4:3:	C[6,6,6a]-3:C[5,6,6]-4:C[5,6,6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:N[5]-3:H-1:	C[6,6,6a]-3:C[5,3x6]-4:C[6a]-3:	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]N[5]H)(H)	C[5,6,6](C[5,3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]CH)(N[5]C[5]C)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[5,3x6]C[5,6,6]2H)(C[6a]C[6a]H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]N[5]H)(H){2|C<3>,3|C<4>,6|H<1>}	C[5,6,6](C[5,3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]CH)(N[5]C[5]C)(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[5,3x6]C[5,6,6]2H)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	112.9440	0.000	1	112.9440	0.000	1	112.9440	0.000	1	112.9440	0.000	1	111.0550	9.948	22	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,3x6]	C[5,6,6]	C[6,6,6a]	3:4:4:1:	4:4:4:1:	3:4:3:	C[6,6,6a]-3:C[5,6,6]-4:C[5,6,6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[6,6,6a]-3:C[5,3x6]-4:C[6a]-3:	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]N[5]H)(H)	C[5,6,6](C[5,3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]HH)(C[5]N[5]HH)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[5,3x6]C[5,6,6]2H)(C[6a]C[6a]H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]N[5]H)(H){2|C<3>,3|C<4>,6|H<1>}	C[5,6,6](C[5,3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]HH)(C[5]N[5]HH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[5,3x6]C[5,6,6]2H)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	113.0440	0.000	1	113.0440	0.000	1	113.0440	0.000	1	113.0440	0.000	1	111.0550	9.948	22	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,3x6]	C[5,6,6]	C[6,6,6a]	3:4:4:3:	4:4:4:1:	3:4:3:	C[6,6,6a]-3:C[5,6,6]-4:C[5,6,6]-4:C[6a]-3:	C[5,3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[6,6,6a]-3:C[5,3x6]-4:C[6,6a]-3:	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6,6a])(C[5,6,6]C[5,6,6]C[5]H)2(C[6a]C[6a]2)	C[5,6,6](C[5,3x6]C[6,6,6a]C[5,6,6]C[6a])(C[5,6,6]C[5,3x6]C[5]H)(C[5]C[5]HH)(H)	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a,6a])(C[5,3x6]C[5,6,6]2C[6a])(C[6,6a]C[6,6a]N[6])	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6,6a])(C[5,6,6]C[5,6,6]C[5]H)2(C[6a]C[6a]2){1|N<3>,3|C<4>,4|C<3>,8|H<1>}	C[5,6,6](C[5,3x6]C[6,6,6a]C[5,6,6]C[6a])(C[5,6,6]C[5,3x6]C[5]H)(C[5]C[5]HH)(H){2|C<4>,5|C<3>,5|H<1>}	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a,6a])(C[5,3x6]C[5,6,6]2C[6a])(C[6,6a]C[6,6a]N[6]){1|N<2>,2|H<1>,5|C<4>,6|C<3>}	112.2330	4.033	2	112.1442	5.821	4	112.1442	5.821	4	112.2458	3.095	16	111.0550	9.948	22	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,3x6]	C[5,6,6]	C[6,6,6a]	3:4:4:3:	4:4:4:1:	3:4:3:	C[6,6,6a]-3:C[5,6,6]-4:C[5,6,6]-4:C[6a]-3:	C[5,3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[6,6,6a]-3:C[5,3x6]-4:C[6,6a]-3:	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6,6a])(C[5,6,6]C[5,6,6]C[5]H)2(C[6a]C[6a]2)	C[5,6,6](C[5,3x6]C[6,6,6a]C[5,6,6]C[6a])(C[5,6,6]C[5,3x6]C[5]H)(C[5]C[5]HH)(H)	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a,6a])(C[5,3x6]C[5,6,6]2C[6a])(C[6,6a]C[6,6a]N[6])	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6,6a])(C[5,6,6]C[5,6,6]C[5]H)2(C[6a]C[6a]2){1|N<3>,3|C<4>,4|C<3>,8|H<1>}	C[5,6,6](C[5,3x6]C[6,6,6a]C[5,6,6]C[6a])(C[5,6,6]C[5,3x6]C[5]H)(C[5]C[5]HH)(H){2|C<4>,5|C<3>,5|H<1>}	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a,6a])(C[5,3x6]C[5,6,6]2C[6a])(C[6,6a]C[6,6a]N[6]){1|N<2>,3|H<1>,4|C<4>,6|C<3>}	112.0555	1.078	2	112.1442	5.821	4	112.1442	5.821	4	112.2458	3.095	16	111.0550	9.948	22	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,3x6]	C[5,6,6]	C[6,6,6a]	3:4:4:3:	4:4:4:1:	3:4:3:	C[6,6,6a]-3:C[5,6,6]-4:C[5,6,6]-4:C[6a]-3:	C[5,3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[6,6,6a]-3:C[5,3x6]-4:C[6a,6a]-3:	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a,6a])(C[5,6,6]C[5,6,6]C[5]H)2(C[6a]C[6a]2)	C[5,6,6](C[5,3x6]C[6,6,6a]C[5,6,6]C[6a])(C[5,6,6]C[5,3x6]C[5]H)(C[5]C[5]HH)(H)	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6,6a])(C[5,3x6]C[5,6,6]2C[6a])(C[6a,6a]C[6a,6a]N[6a])	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a,6a])(C[5,6,6]C[5,6,6]C[5]H)2(C[6a]C[6a]2){1|N<2>,3|C<4>,4|C<3>,8|H<1>}	C[5,6,6](C[5,3x6]C[6,6,6a]C[5,6,6]C[6a])(C[5,6,6]C[5,3x6]C[5]H)(C[5]C[5]HH)(H){2|C<4>,5|C<3>,5|H<1>}	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6,6a])(C[5,3x6]C[5,6,6]2C[6a])(C[6a,6a]C[6a,6a]N[6a]){1|N<3>,2|H<1>,4|C<4>,6|C<3>}	112.0452	2.798	4	112.0452	7.828	4	112.2797	2.628	12	112.2458	3.095	16	111.0550	9.948	22	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,3x6]	C[5,6,6]	C[6,6,6a]	3:4:4:3:	4:4:4:1:	3:4:3:	C[6,6,6a]-3:C[5,6,6]-4:C[5,6,6]-4:C[6a]-3:	C[5,3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[6,6,6a]-3:C[5,3x6]-4:C[6a,6a]-3:	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a,6a])(C[5,6,6]C[5,6,6]C[5]H)2(C[6a]C[6a]2)	C[5,6,6](C[5,3x6]C[6,6,6a]C[5,6,6]C[6a])(C[5,6,6]C[5,3x6]C[5]H)(C[5]C[5]HH)(H)	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a,6a])(C[5,3x6]C[5,6,6]2C[6a])(C[6a,6a]C[6a,6a]N[6a])	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a,6a])(C[5,6,6]C[5,6,6]C[5]H)2(C[6a]C[6a]2){1|N<2>,3|C<4>,4|C<3>,8|H<1>}	C[5,6,6](C[5,3x6]C[6,6,6a]C[5,6,6]C[6a])(C[5,6,6]C[5,3x6]C[5]H)(C[5]C[5]HH)(H){2|C<4>,5|C<3>,5|H<1>}	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a,6a])(C[5,3x6]C[5,6,6]2C[6a])(C[6a,6a]C[6a,6a]N[6a]){1|N<2>,2|H<1>,4|C<4>,6|C<3>}	112.3969	0.853	8	112.3969	0.728	8	112.2797	2.628	12	112.2458	3.095	16	111.0550	9.948	22	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,3x6]	C[5,6]	C[6,6,6a]	3:3:4:3:	4:3:4:1:	4:3:3:	C[6,6,6a]-3:P[5,6,6]-3:C[5,6]-4:C[6]-3:	C[5,3x6]-4:P[3,5,6]-3:Si-4:H-1:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(P[5,6,6]P[3,5,6]C[6])(C[5,6]P[3,5,6]SiH)(C[6]C[6]H)	C[5,6](C[5,3x6]C[6,6,6a]P[5,6,6]C[6])(P[3,5,6]C[3,6,6]P[3,5,6])(SiC3)(H)	C[6,6,6a](C[5,3x6]P[5,6,6]C[5,6]C[6])(C[6,6,6a]C[3,6,6]C[6a])(C[6a]O[6a]O)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(P[5,6,6]P[3,5,6]C[6])(C[5,6]P[3,5,6]SiH)(C[6]C[6]H){1|Si<4>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,6](C[5,3x6]C[6,6,6a]P[5,6,6]C[6])(P[3,5,6]C[3,6,6]P[3,5,6])(SiC3)(H){1|Si<4>,1|H<1>,4|C<3>}	C[6,6,6a](C[5,3x6]P[5,6,6]C[5,6]C[6])(C[6,6,6a]C[3,6,6]C[6a])(C[6a]O[6a]O){2|Si<4>,2|P<3>,3|C<3>,3|H<1>}	108.9460	0.000	1	108.9460	0.000	1	108.9460	0.000	1	108.9460	0.000	1	109.3697	0.135	4	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,3x6]	C[5,6]	C[6,6,6a]	3:4:4:3:	4:3:4:1:	4:3:3:	C[6,6,6a]-3:P[5,6,6]-4:C[5,6]-4:C[6]-3:	C[5,3x6]-4:P[3,5,6]-3:Si-4:H-1:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(P[5,6,6]P[3,5,6]C[6]Au)(C[5,6]P[3,5,6]SiH)(C[6]C[6]H)	C[5,6](C[5,3x6]C[6,6,6a]P[5,6,6]C[6])(P[3,5,6]C[3,6,6]P[3,5,6])(SiC3)(H)	C[6,6,6a](C[5,3x6]P[5,6,6]C[5,6]C[6])(C[6,6,6a]C[3,6,6]C[6a])(C[6a]O[6a]O)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(P[5,6,6]P[3,5,6]C[6]Au)(C[5,6]P[3,5,6]SiH)(C[6]C[6]H){1|Si<4>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,6](C[5,3x6]C[6,6,6a]P[5,6,6]C[6])(P[3,5,6]C[3,6,6]P[3,5,6])(SiC3)(H){1|Au<2>,1|Si<4>,1|H<1>,4|C<3>}	C[6,6,6a](C[5,3x6]P[5,6,6]C[5,6]C[6])(C[6,6,6a]C[3,6,6]C[6a])(C[6a]O[6a]O){1|Au<2>,2|Si<4>,2|P<3>,3|C<3>,3|H<1>}	109.8330	0.000	1	109.8330	0.000	1	109.5110	0.083	3	109.5110	0.083	3	109.3697	0.135	4	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,3x6]	C[5,6]	C[6,6,6a]	3:4:4:3:	4:3:4:1:	4:3:3:	C[6,6,6a]-3:P[5,6,6]-4:C[5,6]-4:C[6]-3:	C[5,3x6]-4:P[3,5,6]-3:Si-4:H-1:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(P[5,6,6]P[3,5,6]C[6]Cu)(C[5,6]P[3,5,6]SiH)(C[6]C[6]H)	C[5,6](C[5,3x6]C[6,6,6a]P[5,6,6]C[6])(P[3,5,6]C[3,6,6]P[3,5,6])(SiC3)(H)	C[6,6,6a](C[5,3x6]P[5,6,6]C[5,6]C[6])(C[6,6,6a]C[3,6,6]C[6a])(C[6a]O[6a]O)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(P[5,6,6]P[3,5,6]C[6]Cu)(C[5,6]P[3,5,6]SiH)(C[6]C[6]H){1|Si<4>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,6](C[5,3x6]C[6,6,6a]P[5,6,6]C[6])(P[3,5,6]C[3,6,6]P[3,5,6])(SiC3)(H){1|Cu<3>,1|Si<4>,1|H<1>,4|C<3>}	C[6,6,6a](C[5,3x6]P[5,6,6]C[5,6]C[6])(C[6,6,6a]C[3,6,6]C[6a])(C[6a]O[6a]O){1|Cu<3>,2|Si<4>,2|P<3>,3|C<3>,3|H<1>}	109.3500	0.105	2	109.3500	0.011	2	109.5110	0.083	3	109.5110	0.083	3	109.3697	0.135	4	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,4x6]	C[5,3x6]	C[6,6a]	4:4:3:3:	4:4:3:1:	4:3:3:	C[5,3x6]-4:C[5,6,6]-4:C[6,6a]-3:C[6,6]-3:	C[5,4x6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,4x6]-4:C[6,6a]-3:C[6a]-3:	C[5,4x6](C[5,3x6]C[6,6]N[5,6]H)(C[5,6,6]O[6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]H)	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6a]C[6,6])(C[6,6]C[3x6]HH)(N[5,6]C[5]C[6])(H)	C[6,6a](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[5,4x6](C[5,3x6]C[6,6]N[5,6]H)(C[5,6,6]O[6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]H){2|C<3>,2|C<4>,6|H<1>}	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6a]C[6,6])(C[6,6]C[3x6]HH)(N[5,6]C[5]C[6])(H){1|O<2>,3|C<3>,7|H<1>}	C[6,6a](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|N<3>,2|C<3>,2|C<4>,2|O<2>,6|H<1>}	111.0440	0.000	1	111.0440	0.000	1	111.0440	0.000	1	111.0440	0.000	1	111.0440	0.000	1	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,5,6,6]	C[5,5,3x6]	C[6,6a]	3:4:3:2:	4:4:4:1:	4:3:3:	C[5,6,6a]-3:C[5,5,3x6]-4:C[6,6a]-3:O[5,5]-2:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6,6]-4:C[6,6a,6a]-3:C[6a]-3:	C[5,5,6,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,3x6]C[5,5,6,6]2H)(C[6,6a]C[6,6a,6a]C[6a])(O[5,5]C[5,5,6])	C[5,5,3x6](C[5,5,6,6]C[5,6,6a]C[6,6a]O[5,5])(C[5,5,6,6]C[6,6a]C[5,6]O[5,5])(C[5,5,6,6]C[5,5,6]2H)(H)	C[6,6a](C[5,5,6,6]C[5,5,3x6]C[5,6,6a]O[5,5])(C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[5,5,6,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,3x6]C[5,5,6,6]2H)(C[6,6a]C[6,6a,6a]C[6a])(O[5,5]C[5,5,6]){1|C<4>,1|O<2>,3|H<1>,7|C<3>}	C[5,5,3x6](C[5,5,6,6]C[5,6,6a]C[6,6a]O[5,5])(C[5,5,6,6]C[6,6a]C[5,6]O[5,5])(C[5,5,6,6]C[5,5,6]2H)(H){3|H<1>,6|C<3>}	C[6,6a](C[5,5,6,6]C[5,5,3x6]C[5,6,6a]O[5,5])(C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){2|H<1>,3|C<4>,5|C<3>}	114.7160	0.000	1	114.7160	0.000	1	114.7160	0.000	1	114.7160	0.000	1	114.1603	0.319	4	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,5,6,6]	C[5,5,3x6]	C[6,6a]	4:3:2:3:	4:4:4:1:	4:3:3:	C[5,5,3x6]-4:C[6,6a]-3:O[5,5]-2:C[5,6]-3:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6,6]-4:C[6,6a,6a]-3:C[6a]-3:	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[6,6a]C[6,6a,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)	C[5,5,3x6](C[5,5,6,6]C[5,6,6a]C[6,6a]O[5,5])(C[5,5,6,6]C[6,6a]C[5,6]O[5,5])(C[5,5,6,6]C[5,5,6]2H)(H)	C[6,6a](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[6,6a]C[6,6a,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[5,5,3x6](C[5,5,6,6]C[5,6,6a]C[6,6a]O[5,5])(C[5,5,6,6]C[6,6a]C[5,6]O[5,5])(C[5,5,6,6]C[5,5,6]2H)(H){3|H<1>,6|C<3>}	C[6,6a](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){3|C<4>,3|H<1>,4|C<3>}	113.7810	0.000	1	113.7810	0.000	1	113.7810	0.000	1	113.7810	0.000	1	114.1603	0.319	4	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,5,6,6]	C[5,5,3x6]	C[6,6a]	4:3:2:3:	4:4:4:3:	4:3:3:	C[5,5,3x6]-4:C[6,6a]-3:O[5,5]-2:C[5,6]-3:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[5,5,6,6]-4:C-3:	C[5,5,6,6]-4:C[6,6a,6a]-3:C[6a]-3:	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2C)(C[6,6a]C[6,6a,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)	C[5,5,3x6](C[5,5,6,6]C[6,6a]C[5,6]O[5,5])2(C[5,5,6,6]C[5,5,6]2C)(COO)	C[6,6a](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2C)(C[6,6a]C[6,6a,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[5,5,3x6](C[5,5,6,6]C[6,6a]C[5,6]O[5,5])2(C[5,5,6,6]C[5,5,6]2C)(COO){4|H<1>,5|C<3>}	C[6,6a](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){2|H<1>,3|C<4>,5|C<3>}	114.0720	0.699	2	114.0720	0.488	2	114.0720	0.488	2	114.0720	0.488	2	114.1603	0.319	4	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,5,6,6]	C[5,6,6]	C[6,6a]	4:3:4:3:	4:4:4:1:	4:3:3:	C[5,6,6]-4:C[6,6a]-3:C[5,5]-4:C[5,6]-3:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)	C[5,6,6](C[5,5,6,6]C[6,6a]C[5,5]C[5,6])(C[5,6]C[5,5,6]C[6a]H)(C[6]C[6]HH)(H)	C[6,6a](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[5,6,6](C[5,5,6,6]C[6,6a]C[5,5]C[5,6])(C[5,6]C[5,5,6]C[6a]H)(C[6]C[6]HH)(H){1|C<2>,4|H<1>,6|C<3>}	C[6,6a](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,2|C<3>,3|C<4>,7|H<1>}	115.1570	0.000	1	115.1570	0.000	1	115.1570	0.000	1	115.1570	0.000	1	115.1570	0.000	1	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,5,6]	C[5,5,6,6]	C[6,6a]	4:3:2:2:	4:3:4:3:	4:3:3:	C[5,5,6,6]-4:C[6,6a]-3:O[5]-2:O[5]-2:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:C[6,6]-3:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6,6]C[5,6a]C[5,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(O[5]C[5,6a])(O[5]C[5])	C[5,5,6,6](C[5,5,6]C[6,6a]O[5]2)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6,6]C[6]2)	C[6,6a](C[5,5,6]C[5,5,6,6]O[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6,6]C[5,6a]C[5,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(O[5]C[5,6a])(O[5]C[5]){2|C<4>,3|H<1>,6|C<3>}	C[5,5,6,6](C[5,5,6]C[6,6a]O[5]2)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6,6]C[6]2){1|O<1>,1|O<2>,2|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[5,5,6]C[5,5,6,6]O[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,4|C<3>}	117.0590	0.588	2	117.0590	0.346	2	117.0590	0.346	2	117.0590	0.346	2	114.4962	4.356	6	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,5,6]	C[5,5,6,6]	C[6,6a]	4:3:4:4:	4:4:4:3:	4:3:3:	C[5,5,6,6]-4:C[6,6a]-3:C[5]-4:C[5]-4:	C[5,5,6]-4:C[5,6]-4:C[6,6]-4:N[5]-3:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6,6]C[5,6]C[6,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2	C[5,5,6,6](C[5,5,6]C[6,6a]C[5]2)(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)(N[5]C[5]C)	C[6,6a](C[5,5,6]C[5,5,6,6]C[5]2)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)	C[5,5,6](C[5,5,6,6]C[5,6]C[6,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2{1|O<1>,1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[5,5,6,6](C[5,5,6]C[6,6a]C[5]2)(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,9|H<1>}	C[6,6a](C[5,5,6]C[5,5,6,6]C[5]2)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O){1|N<3>,2|C<3>,2|O<2>,3|C<4>,6|H<1>}	112.6040	0.000	1	112.7585	0.048	2	113.2147	0.577	4	113.2147	0.577	4	114.4962	4.356	6	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,5,6]	C[5,5,6,6]	C[6,6a]	4:3:4:4:	4:4:4:3:	4:3:3:	C[5,5,6,6]-4:C[6,6a]-3:C[5]-4:C[5]-4:	C[5,5,6]-4:C[5,6]-4:C[6,6]-4:N[5]-3:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6,6]C[5,6]C[6,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2	C[5,5,6,6](C[5,5,6]C[6,6a]C[5]2)(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)(N[5]C[5]C)	C[6,6a](C[5,5,6]C[5,5,6,6]C[5]2)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)	C[5,5,6](C[5,5,6,6]C[5,6]C[6,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2{1|O<1>,1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[5,5,6,6](C[5,5,6]C[6,6a]C[5]2)(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,9|H<1>}	C[6,6a](C[5,5,6]C[5,5,6,6]C[5]2)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O){1|N<3>,2|C<3>,2|O<2>,3|C<4>,6|H<1>}	112.9130	0.000	1	112.7585	0.048	2	113.2147	0.577	4	113.2147	0.577	4	114.4962	4.356	6	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,5,6]	C[5,5,6,6]	C[6,6a]	4:3:4:4:	4:4:4:3:	4:3:3:	C[5,5,6,6]-4:C[6,6a]-3:C[5]-4:C[5]-4:	C[5,5,6]-4:C[5,6]-4:C[6,6]-4:N[5]-3:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6,6]C[5,6]C[6,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2	C[5,5,6,6](C[5,5,6]C[6,6a]C[5]2)(C[5,6]C[5]C[6]N)(C[6,6]C[6,6]HH)(N[5]C[5]C)	C[6,6a](C[5,5,6]C[5,5,6,6]C[5]2)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)	C[5,5,6](C[5,5,6,6]C[5,6]C[6,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2{1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,5,6,6](C[5,5,6]C[6,6a]C[5]2)(C[5,6]C[5]C[6]N)(C[6,6]C[6,6]HH)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,9|H<1>}	C[6,6a](C[5,5,6]C[5,5,6,6]C[5]2)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O){1|N<3>,2|C<3>,2|O<2>,3|C<4>,6|H<1>}	113.0190	0.000	1	113.6710	0.850	2	113.2147	0.577	4	113.2147	0.577	4	114.4962	4.356	6	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,5,6]	C[5,5,6,6]	C[6,6a]	4:3:4:4:	4:4:4:3:	4:3:3:	C[5,5,6,6]-4:C[6,6a]-3:C[5]-4:C[5]-4:	C[5,5,6]-4:C[5,6]-4:C[6,6]-4:N[5]-3:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6,6]C[5,6]C[6,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2	C[5,5,6,6](C[5,5,6]C[6,6a]C[5]2)(C[5,6]C[5]C[6]N)(C[6,6]C[6,6]HH)(N[5]C[5]C)	C[6,6a](C[5,5,6]C[5,5,6,6]C[5]2)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)	C[5,5,6](C[5,5,6,6]C[5,6]C[6,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2{1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5,5,6,6](C[5,5,6]C[6,6a]C[5]2)(C[5,6]C[5]C[6]N)(C[6,6]C[6,6]HH)(N[5]C[5]C){1|O<2>,2|C<3>,2|O<1>,7|H<1>}	C[6,6a](C[5,5,6]C[5,5,6,6]C[5]2)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O){1|N<3>,2|C<3>,2|O<2>,3|C<4>,6|H<1>}	114.3230	0.000	1	113.6710	0.850	2	113.2147	0.577	4	113.2147	0.577	4	114.4962	4.356	6	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[6,6a]	3:4:3:3:	4:4:4:3:	4:3:3:	C[6,6a]-3:C[5,5,6]-4:C[5]-3:N[5]-3:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-3:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[5]O[5]O)(N[5]C[5]C)	C[5,5,6](C[5,5,6]C[6,6a]C[5]N[5])(C[5]C[4]O[5]H)(C[5]C[5]HH)(C[6]N[6]O)	C[6,6a](C[5,5,6]C[5,5,6]C[5]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[5]O[5]O)(N[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,2|C<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[6,6a]C[5]N[5])(C[5]C[4]O[5]H)(C[5]C[5]HH)(C[6]N[6]O){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[5,5,6]C[5,5,6]C[5]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,3|H<1>,4|C<4>}	114.3550	0.000	1	114.3550	0.000	1	114.1817	0.163	4	114.0804	0.174	5	114.6683	0.969	21	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[6,6a]	3:4:3:3:	4:4:4:3:	4:3:3:	C[6,6a]-3:C[5,5,6]-4:C[5]-3:N[5]-3:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-3:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[5]O[5]O)(N[5]C[5]C)	C[5,5,6](C[5,5,6]C[6,6a]C[5]N[5])(C[5]C[6a]O[5]H)(C[5]C[5]HH)(C[6]N[6]O)	C[6,6a](C[5,5,6]C[5,5,6]C[5]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[5]O[5]O)(N[5]C[5]C){1|N<3>,1|O<1>,3|C<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[6,6a]C[5]N[5])(C[5]C[6a]O[5]H)(C[5]C[5]HH)(C[6]N[6]O){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[5,5,6]C[5,5,6]C[5]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,3|H<1>,4|C<4>}	114.1240	0.474	3	114.1240	0.225	3	114.1817	0.163	4	114.0804	0.174	5	114.6683	0.969	21	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[6,6a]	3:4:3:3:	4:4:4:3:	4:3:3:	C[6,6a]-3:C[5,5,6]-4:N[5,6]-3:C[5]-3:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-3:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(N[5,6]C[5,6]C[6])(C[5]O[5]O)	C[5,5,6](C[5,5,6]C[6,6a]N[5,6]C[5])(C[5]C[6a]O[5]H)(C[5]C[5,6]HH)(C[6]N[6]O)	C[6,6a](C[5,5,6]C[5,5,6]N[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(N[5,6]C[5,6]C[6])(C[5]O[5]O){1|N<3>,1|O<1>,2|C<4>,3|C<3>,7|H<1>}	C[5,5,6](C[5,5,6]C[6,6a]N[5,6]C[5])(C[5]C[6a]O[5]H)(C[5]C[5,6]HH)(C[6]N[6]O){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5,5,6]C[5,5,6]N[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,3|H<1>,4|C<4>}	113.6750	0.000	1	113.6750	0.000	1	113.6750	0.000	1	114.0804	0.174	5	114.6683	0.969	21	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[6,6a]	3:4:4:3:	4:4:4:3:	4:3:3:	C[6,6a]-3:C[5,5,6]-4:C[5]-4:C[5]-3:	C[5,5,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[5]O[5]HH)(C[5]C[5]O)	C[5,5,6](C[5,5,6]C[6,6a]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)(C[5]O[5]O)	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[5]O[5]HH)(C[5]C[5]O){1|O<1>,3|C<3>,7|H<1>}	C[5,5,6](C[5,5,6]C[6,6a]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)(C[5]O[5]O){2|C<3>,2|O<1>,4|H<1>}	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|O<1>,2|O<2>,3|C<4>,3|H<1>}	115.5730	0.000	1	115.5730	0.000	1	115.5730	0.000	1	116.2065	0.803	2	114.6683	0.969	21	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[6,6a]	3:4:4:3:	4:4:4:3:	4:3:3:	C[6,6a]-3:C[5,5,6]-4:C[5]-4:C[5]-3:	C[5,5,6]-4:C[6]-4:C[5]-4:C[5]-3:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[5]O[5]HH)(C[5]C[5]O)	C[5,5,6](C[5,5,6]C[6,6a]C[5]2)(C[6]C[6]BrH)(C[5]C[5]HH)(C[5]O[5]O)	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[5]O[5]HH)(C[5]C[5]O){1|Br<1>,1|O<1>,3|C<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[6,6a]C[5]2)(C[6]C[6]BrH)(C[5]C[5]HH)(C[5]O[5]O){2|C<3>,2|O<1>,4|H<1>}	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|O<1>,2|O<2>,3|C<4>,3|H<1>}	116.8400	0.000	1	116.8400	0.000	1	116.8400	0.000	1	116.2065	0.803	2	114.6683	0.969	21	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[6,6a]	3:4:4:4:	4:4:4:3:	4:3:3:	C[6,6a]-3:C[5,5,6]-4:C[5]-4:C[5]-4:	C[5,5,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[5]C[5]HO)(C[5]O[5]HH)	C[5,5,6](C[5,5,6]C[6,6a]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)(C[5]O[5]O)	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[5]C[5]HO)(C[5]O[5]HH){1|C<4>,1|O<1>,2|C<3>,7|H<1>}	C[5,5,6](C[5,5,6]C[6,6a]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)(C[5]O[5]O){1|O<2>,2|C<3>,7|H<1>}	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|O<2>,3|C<4>,7|H<1>}	114.9950	0.000	1	114.9950	0.000	1	114.6137	0.137	3	114.6137	0.137	3	114.6683	0.969	21	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[6,6a]	3:4:4:4:	4:4:4:3:	4:3:3:	C[6,6a]-3:C[5,5,6]-4:C[5]-4:C[5]-4:	C[5,5,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[5]C[5]HO)(C[5]O[5]HH)	C[5,5,6](C[5,5,6]C[6,6a]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)(C[5]O[5]O)	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[5]C[5]HO)(C[5]O[5]HH){1|C<4>,1|O<1>,1|O<2>,2|C<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[6,6a]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)(C[5]O[5]O){1|O<2>,2|C<3>,7|H<1>}	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){2|C<3>,3|C<4>,3|O<2>,6|H<1>}	114.4230	0.235	2	114.4230	0.055	2	114.6137	0.137	3	114.6137	0.137	3	114.6683	0.969	21	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[6,6a]	4:3:3:3:	4:3:3:3:	4:3:3:	C[5,5,6]-4:C[6,6a]-3:N[5]-3:N[5]-3:	C[5,5,6]-4:C[6,6a]-3:N[5]-3:N[5]-3:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[6,6a]N[5]2)(C[6,6a]C[6,6a]C[6a])(N[5]C[5]H)2	C[5,5,6](C[5,5,6]C[6,6a]N[5]2)(C[6,6a]C[6,6a]C[6a])(N[5]C[5]H)2	C[6,6a](C[5,5,6]C[5,5,6]N[5]2)(C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[6,6a]N[5]2)(C[6,6a]C[6,6a]C[6a])(N[5]C[5]H)2{1|N<2>,2|O<1>,3|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[6,6a]N[5]2)(C[6,6a]C[6,6a]C[6a])(N[5]C[5]H)2{1|N<2>,2|O<1>,3|C<3>,3|H<1>}	C[6,6a](C[5,5,6]C[5,5,6]N[5]2)(C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]H){1|N<2>,2|N<3>,3|H<1>,4|C<3>}	115.8235	0.678	4	115.8235	0.460	4	115.8235	0.460	4	115.8235	0.460	4	114.6683	0.969	21	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[6,6a]	4:3:4:4:	4:3:4:4:	4:3:3:	C[5,5,6]-4:C[6,6a]-3:C[5]-4:C[5]-4:	C[5,5,6]-4:C[6,6a]-3:C[5]-4:C[5]-4:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[6,6a]C[5]2)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2	C[5,5,6](C[5,5,6]C[6,6a]C[5]2)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[6,6a]C[5]2)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2{6|C<3>,7|H<1>}	C[5,5,6](C[5,5,6]C[6,6a]C[5]2)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2{6|C<3>,7|H<1>}	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){3|C<3>,4|C<4>,6|H<1>}	113.5070	0.030	2	113.5070	0.001	2	113.5070	0.001	2	113.5070	0.001	2	114.6683	0.969	21	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[6,6a]	4:3:4:4:	4:4:3:3:	4:3:3:	C[5,5,6]-4:C[6,6a]-3:C[5]-4:C[5]-4:	C[5,5,6]-4:C[5,5]-4:C[6]-3:N[5]-3:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,5]C[6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2	C[5,5,6](C[5,5,6]C[6,6a]C[5]2)(C[5,5]C[5]2N[5])(C[6]C[6]H)(N[5]C[5]C)	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[5,5,6](C[5,5,6]C[5,5]C[6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2{1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[6,6a]C[5]2)(C[5,5]C[5]2N[5])(C[6]C[6]H)(N[5]C[5]C){10|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|N<3>,1|O<2>,2|C<4>,3|C<3>,6|H<1>}	114.6740	0.000	1	114.6740	0.000	1	114.6740	0.000	1	114.6740	0.000	1	114.6683	0.969	21	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[6,6a]	4:3:4:4:	4:4:4:2:	4:3:3:	C[5,5,6]-4:C[6,6a]-3:C[5]-4:C[5]-4:	C[5,5,6]-4:C[5]-4:C[6]-4:O[5]-2:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2	C[5,5,6](C[5,5,6]C[6,6a]C[5]2)(C[5]C[5]CH)(C[6]C[6]HH)(O[5]C[5])	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[5,5,6](C[5,5,6]C[5]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[6,6a]C[5]2)(C[5]C[5]CH)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,2|C<3>,8|H<1>}	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){2|C<3>,2|O<2>,3|C<4>,7|H<1>}	113.8500	0.000	1	113.8500	0.000	1	113.8500	0.000	1	113.8500	0.000	1	114.6683	0.969	21	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[6,6a]	4:3:4:4:	4:4:4:3:	4:3:3:	C[5,5,6]-4:C[6,6a]-3:C[5]-4:C[5]-4:	C[5,5,6]-4:C[5]-4:C[6]-4:N[5]-3:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5]C[6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2	C[5,5,6](C[5,5,6]C[6,6a]C[5]2)(C[5]C[5]CH)(C[6]C[6]HH)(N[5]C[5]C)	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[5,5,6](C[5,5,6]C[5]C[6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2{1|O<1>,1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[6,6a]C[5]2)(C[5]C[5]CH)(C[6]C[6]HH)(N[5]C[5]C){1|O<1>,2|C<3>,8|H<1>}	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|N<3>,1|O<2>,2|C<3>,3|C<4>,7|H<1>}	114.5380	0.000	1	114.5380	0.000	1	114.1820	0.170	3	114.1820	0.170	3	114.6683	0.969	21	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[6,6a]	4:3:4:4:	4:4:4:3:	4:3:3:	C[5,5,6]-4:C[6,6a]-3:C[5]-4:C[5]-4:	C[5,5,6]-4:C[5]-4:C[6]-4:N[5]-3:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5]C[6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2	C[5,5,6](C[5,5,6]C[6,6a]C[5]2)(C[5]C[5]CH)(C[6]C[6]HH)(N[5]C[5]H)	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[5,5,6](C[5,5,6]C[5]C[6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[6,6a]C[5]2)(C[5]C[5]CH)(C[6]C[6]HH)(N[5]C[5]H){1|O<1>,2|C<3>,8|H<1>}	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|N<3>,1|O<2>,2|C<3>,3|C<4>,7|H<1>}	114.0040	0.387	2	114.0040	0.150	2	114.1820	0.170	3	114.1820	0.170	3	114.6683	0.969	21	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[6,6a]	3:4:3:3:	4:3:3:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5,5]-3:C[5]-3:	C[5,5,6]-4:C[5,6a]-3:C[6]-3:H-1:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5])	C[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]O[6]O)(H)	C[6,6a](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5]){1|H<1>,1|O<1>,1|O<2>,8|C<3>}	C[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]O[6]O)(H){1|H<1>,7|C<3>}	C[6,6a](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,7|C<3>}	108.7820	0.000	1	108.6950	0.015	2	108.6950	0.015	2	108.6950	0.015	2	111.0646	9.852	15	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[6,6a]	3:4:3:3:	4:3:3:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5,5]-3:C[5]-3:	C[5,5,6]-4:C[5,6a]-3:C[6]-3:H-1:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5])	C[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]O[6]O)(H)	C[6,6a](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5]){1|H<1>,1|O<1>,1|O<2>,8|C<3>}	C[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]O[6]O)(H){1|H<1>,7|C<3>}	C[6,6a](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){3|H<1>,7|C<3>}	108.6080	0.000	1	108.6950	0.015	2	108.6950	0.015	2	108.6950	0.015	2	111.0646	9.852	15	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[6,6a]	3:4:4:2:	4:4:4:3:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5,5]-4:O[5]-2:	C[5,5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5,5]C[5]2H)(O[5]C[5])	C[5,6](C[5,5,6]C[6,6a]C[5,5]O[5])(C[5]C[5]HH)(C[6]N[6]HH)(COO)	C[6,6a](C[5,5,6]C[5,5]C[5,6]O[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5,5]C[5]2H)(O[5]C[5]){1|N<3>,2|C<3>,2|C<4>,9|H<1>}	C[5,6](C[5,5,6]C[6,6a]C[5,5]O[5])(C[5]C[5]HH)(C[6]N[6]HH)(COO){1|H<1>,1|S<4>,2|C<3>,4|C<4>}	C[6,6a](C[5,5,6]C[5,5]C[5,6]O[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|C<3>,3|H<1>,5|C<4>}	109.4410	0.000	1	109.4410	0.000	1	109.4410	0.000	1	109.4410	0.000	1	111.0646	9.852	15	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[6,6a]	3:4:4:3:	4:4:3:1:	4:3:3:	C[6,6a]-3:C[5,5]-4:C[5,6]-4:C[5]-3:	C[5,5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,6]C[6]N[5]H)(C[5]C[5]C)	C[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[6]C[6]HH)(N[5]C[5]C)(H)	C[6,6a](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,6]C[6]N[5]H)(C[5]C[5]C){2|C<4>,2|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[6]C[6]HH)(N[5]C[5]C)(H){1|H<1>,1|N<3>,2|O<1>,4|C<3>}	C[6,6a](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|N<3>,4|C<3>,4|H<1>}	115.0460	0.000	1	115.0460	0.000	1	115.0460	0.000	1	115.0460	0.000	1	111.0646	9.852	15	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[6,6a]	3:4:4:4:	4:4:4:1:	4:3:3:	C[6,6a]-3:C[5,5]-4:C[5,6]-4:C[5]-4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)	C[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[5]C[5]HH)(C[6]N[6]CH)(H)	C[6,6a](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<2>,3|C<3>,7|H<1>}	C[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[5]C[5]HH)(C[6]N[6]CH)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,4|C<4>,6|H<1>}	111.1920	0.000	1	111.1920	0.000	1	111.1920	0.000	1	111.1920	0.000	1	111.0646	9.852	15	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[6,6a]	4:3:3:4:	4:4:4:1:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	C[5,5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[6,6a])(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6a](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[5,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H){1|O<1>,5|H<1>,9|C<3>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[6,6a])(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){3|O<1>,7|C<3>}	C[6,6a](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,6|C<3>}	111.4720	0.000	1	111.4720	0.000	1	111.4720	0.000	1	111.4720	0.000	1	111.0646	9.852	15	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[6,6a]	4:3:4:3:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,6]N[5,6]O)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H)	C[5,6](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(H)	C[6,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[5,6]N[5,6]O)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H){1|N<3>,2|C<3>,2|O<1>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,5|H<1>}	114.4730	0.267	2	114.4730	0.071	2	114.4730	0.071	2	114.4730	0.071	2	111.0646	9.852	15	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[6,6a]	4:3:4:3:	4:4:4:1:	4:3:3:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6](C[5,5]C[6a]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]C)	C[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[6]O[6]HH)(H)	C[6,6a](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,5,6](C[5,5]C[6a]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]C){1|N<2>,1|N<3>,1|O<2>,4|C<3>,6|H<1>}	C[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[6]O[6]HH)(H){1|C<2>,1|O<2>,2|H<1>,6|C<3>}	C[6,6a](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<2>,1|O<2>,3|C<3>,3|C<4>,3|H<1>}	112.4330	0.000	1	112.4330	0.000	1	112.4330	0.000	1	112.4330	0.000	1	111.0646	9.852	15	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[6,6a]	4:3:4:4:	4:4:3:1:	4:3:3:	C[3x5,6]-4:C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6](C[3x5,6]C[5,5,6]N[5,6]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)	C[5,6](C[5,5,6]C[3x5,6]C[6,6a]C[5])(C[5]C[5,5,6]HH)(C[6]N[6]O)(H)	C[6,6a](C[5,5,6]C[3x5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,5,6](C[3x5,6]C[5,5,6]N[5,6]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]HH){1|N<3>,1|O<1>,2|C<4>,4|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[3x5,6]C[6,6a]C[5])(C[5]C[5,5,6]HH)(C[6]N[6]O)(H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[5,5,6]C[3x5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	111.3345	0.968	2	111.3345	0.937	2	111.3345	0.937	2	108.2518	13.004	4	111.0646	9.852	15	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[6,6a]	4:3:4:4:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,6]N[5,6]O)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)	C[5,6](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(H)	C[6,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[5,6]N[5,6]O)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]HH){1|N<3>,2|C<3>,2|O<1>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,6|H<1>}	105.1690	0.247	2	105.1690	0.061	2	105.1690	0.061	2	108.2518	13.004	4	111.0646	9.852	15	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[6,6a]	4:3:4:4:	4:4:3:3:	4:3:3:	C[5,5,6]-4:C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5,5,6]-4:C[5]-4:C[6]-3:C-3:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)	C[5,6](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(COO)	C[6,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(COO){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|C<4>,6|H<1>}	113.5210	0.331	2	113.5210	0.110	2	113.5210	0.110	2	113.5210	0.110	2	111.0646	9.852	15	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6,6]	C[5,3x6]	C[6,6a]	4:3:3:4:	4:4:3:2:	4:3:3:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[5,6,6]-4:C[3x6]-4:N[5,6]-3:O[6]-2:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6](C[5,3x6]C[3x6]N[5,6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[5,3x6](C[5,6,6]C[5,6a]C[6,6a]C[6])(C[3x6]C[6,6]N[6,6]H)(N[5,6]C[5,6a]C[6])(O[6]C[6])	C[6,6a](C[5,6,6]C[5,3x6]C[5,6a]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[5,6,6](C[5,3x6]C[3x6]N[5,6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|N<3>,2|C<4>,5|C<3>,5|H<1>}	C[5,3x6](C[5,6,6]C[5,6a]C[6,6a]C[6])(C[3x6]C[6,6]N[6,6]H)(N[5,6]C[5,6a]C[6])(O[6]C[6]){1|O<1>,3|C<4>,5|C<3>,5|H<1>}	C[6,6a](C[5,6,6]C[5,3x6]C[5,6a]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>,3|C<4>}	111.9860	0.000	1	111.9860	0.000	1	111.9860	0.000	1	111.9860	0.000	1	111.9860	0.000	1	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6,6]	C[5,5,3x6]	C[6,6a]	4:3:4:1:	4:3:2:3:	4:3:3:	C[5,5,3x6]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6,6]-4:N[5,3x6]-3:O[5,5]-2:N[6]-3:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6](C[5,5,3x6]N[5,3x6]O[5,5]N[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]HH)(H)	C[5,5,3x6](C[5,6,6]C[6,6a]C[5,6]H)(N[5,3x6]C[5,6]C[6,6])(O[5,5]C[5,5,6])(N[6]C[6]H)	C[6,6a](C[5,6,6]C[5,5,3x6]C[5,6]H)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)	C[5,6,6](C[5,5,3x6]N[5,3x6]O[5,5]N[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]HH)(H){2|C<4>,2|H<1>,4|C<3>}	C[5,5,3x6](C[5,6,6]C[6,6a]C[5,6]H)(N[5,3x6]C[5,6]C[6,6])(O[5,5]C[5,5,6])(N[6]C[6]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[5,6,6]C[5,5,3x6]C[5,6]H)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|N<3>,5|H<1>}	114.3890	0.000	1	114.3890	0.000	1	114.3890	0.000	1	114.3890	0.000	1	114.3890	0.000	1	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6,6]	C[5,5,6,6]	C[6,6a]	4:3:4:1:	4:2:2:4:	4:3:3:	C[5,5,6,6]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6,6]-4:O[5,5]-2:N[5,6]-2:C[6]-4:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6](C[5,5,6,6]N[5,6]O[5,5]C[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]CH)(H)	C[5,5,6,6](C[5,6,6]C[6,6a]C[5,6]H)(O[5,5]C[5,5,6])(N[5,6]C[5,6])(C[6]N[6]CH)	C[6,6a](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6,6](C[5,5,6,6]N[5,6]O[5,5]C[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]CH)(H){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[5,5,6,6](C[5,6,6]C[6,6a]C[5,6]H)(O[5,5]C[5,5,6])(N[5,6]C[5,6])(C[6]N[6]CH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	112.0620	0.000	1	112.0620	0.000	1	112.0620	0.000	1	112.0620	0.000	1	111.3317	11.993	4	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6,6]	C[5,5,6,6]	C[6,6a]	4:3:4:1:	4:4:3:1:	4:3:3:	C[5,5,6,6]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]CH)(H)	C[5,5,6,6](C[5,6,6]C[6,6a]C[5,6]H)(C[5,5,6]C[5,5,6]C[6]O)(C[5,6]C[5,6]H)(H)	C[6,6a](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]CH)(H){1|O<2>,3|H<1>,4|C<3>}	C[5,5,6,6](C[5,6,6]C[6,6a]C[5,6]H)(C[5,5,6]C[5,5,6]C[6]O)(C[5,6]C[5,6]H)(H){1|O<1>,2|H<1>,4|C<3>}	C[6,6a](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	107.0450	0.000	1	107.0450	0.000	1	107.0450	0.000	1	107.0450	0.000	1	111.3317	11.993	4	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6,6]	C[5,5,6,6]	C[6,6a]	4:3:4:1:	4:4:4:1:	4:3:3:	C[5,5,6,6]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]HH)(H)	C[5,5,6,6](C[5,6,6]C[6,6a]C[5,6]H)(C[5,5,6]C[5,5,6]P[6]H)(C[5,6]C[5,6]HH)(H)	C[6,6a](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6,6a]C[6a]P[6])(C[6a]C[6a]H)	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]HH)(H){1|C<4>,1|P<4>,2|C<3>,5|H<1>}	C[5,5,6,6](C[5,6,6]C[6,6a]C[5,6]H)(C[5,5,6]C[5,5,6]P[6]H)(C[5,6]C[5,6]HH)(H){1|W<6>,3|C<3>,5|H<1>}	C[6,6a](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6,6a]C[6a]P[6])(C[6a]C[6a]H){1|W<6>,2|C<3>,3|C<4>,5|H<1>}	110.7920	0.000	1	110.7920	0.000	1	110.7920	0.000	1	110.7920	0.000	1	111.3317	11.993	4	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6,6]	C[5,5,6,6]	C[6,6a]	4:3:4:1:	4:4:4:4:	4:3:2:	C[5,5,6,6]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,6,6]-4:C[6,6a]-3:N[6a]-2:	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[6,6a]C[6,6a]N[6a])(C[5,6]C[5,5,6]CC)(H)	C[5,5,6,6](C[5,6,6]C[6,6a]C[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[6]C[6]CC)	C[6,6a](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[6,6a]C[6,6a]N[6a])(C[5,6]C[5,5,6]CC)(H){2|C<3>,4|C<4>,5|H<1>}	C[5,5,6,6](C[5,6,6]C[6,6a]C[5,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[6]C[6]CC){1|C<3>,1|N<2>,2|C<4>,5|H<1>}	C[6,6a](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,2|H<1>,6|C<4>}	115.4280	0.000	1	115.4280	0.000	1	115.4280	0.000	1	115.4280	0.000	1	111.3317	11.993	4	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6,6]	C[5,5,6]	C[6,6,6a]	3:3:4:1:	4:4:3:1:	3:3:4:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,5,6]-4:Cl-1:	C[5,6,6]-4:C[5,5,6]-4:C[5,6,6a]-3:Cl-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[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(Cl)	C[5,5,6](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,5,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6,6a]2)(Cl)	C[6,6,6a](C[6,6a,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[5,5,6]Cl)	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[5,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(Cl){1|Cl<1>,1|C<4>,7|C<3>}	C[5,5,6](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,5,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6,6a]2)(Cl){1|Cl<1>,7|C<3>}	C[6,6,6a](C[6,6a,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[5,5,6]Cl){1|Cl<1>,1|C<4>,8|C<3>}	117.3170	0.000	1	117.3170	0.000	1	117.3170	0.000	1	117.3170	0.000	1	113.7820	8.411	6	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6,6]	C[5,5,6]	C[6,6,6a]	3:3:4:1:	4:4:3:1:	3:4:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,5,6]-4:Cl-1:	C[5,6,6]-4:C[5,5,6]-4:C[5,6,6]-3:Cl-1:	C[6,6a,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[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,5,6]C[5,5,6]C[5,6,6]Cl)(Cl)	C[5,5,6](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6]C[5,5,6]C[5,6,6])(Cl)	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[5,5,6]Cl)(C[5,6,6a]C[5,6a,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[5,6,6a])(C[5,5,6]C[5,5,6]C[5,6,6]Cl)(Cl){1|Cl<1>,2|C<4>,6|C<3>}	C[5,5,6](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6]C[5,5,6]C[5,6,6])(Cl){2|Cl<1>,1|C<4>,6|C<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[5,5,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6]){2|Cl<1>,1|C<4>,8|C<3>}	115.4870	0.000	1	115.4870	0.000	1	115.4870	0.000	1	115.4870	0.000	1	113.7820	8.411	6	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6,6]	C[5,5,6]	C[6,6,6a]	3:4:3:1:	4:3:4:1:	4:3:3:	C[6,6,6a]-3:C[5,5,6]-4:C[5,6,6a]-3:Cl-1:	C[5,6,6]-4:C[5,6,6a]-3:C[5,5,6]-4:Cl-1:	C[5,6,6]-4:C[6,6a,6a]-3:C[6,6,6a]-3:	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[5,6,6a]2)(Cl)	C[5,5,6](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]C[5,6,6]Cl)(Cl)	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,5,6]Cl)(C[6,6a,6a]C[6,6a,6a]C[3x6a])(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[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[5,6,6a]2)(Cl){1|Cl<1>,2|C<4>,6|C<3>}	C[5,5,6](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]C[5,6,6]Cl)(Cl){1|Cl<1>,7|C<3>}	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,5,6]Cl)(C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6,6,6a]C[5,6,6a]C[5,6,6]){2|Cl<1>,2|C<4>,7|C<3>}	114.9570	0.000	1	114.9570	0.000	1	114.9570	0.000	1	114.9570	0.000	1	113.7820	8.411	6	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6,6]	C[5,5,6]	C[6,6,6a]	3:4:4:1:	4:4:3:1:	3:4:3:	C[6,6,6a]-3:C[5,5,6]-4:C[5,6,6]-4:Cl-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,5,6a]-3:Cl-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[5,5,6]C[5,5,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(Cl)	C[5,5,6](C[5,6,6]C[6,6,6a]C[5,6,6]Cl)2(C[5,5,6a]C[5,6,6a]2)(Cl)	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,5,6]C[5,6,6]Cl)(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[6,6,6a])(C[5,5,6]C[5,5,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(Cl){2|Cl<1>,2|C<4>,6|C<3>}	C[5,5,6](C[5,6,6]C[6,6,6a]C[5,6,6]Cl)2(C[5,5,6a]C[5,6,6a]2)(Cl){2|Cl<1>,2|C<4>,5|C<3>}	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,5,6]C[5,6,6]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6]){2|Cl<1>,3|C<4>,6|C<3>}	110.4270	0.000	1	112.4195	7.940	2	112.4195	7.940	2	112.4195	7.940	2	113.7820	8.411	6	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6,6]	C[5,5,6]	C[6,6,6a]	3:4:4:1:	4:4:3:1:	3:4:3:	C[6,6,6a]-3:C[5,5,6]-4:C[5,6,6]-4:Cl-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,5,6a]-3:Cl-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[5,5,6]C[5,5,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(Cl)	C[5,5,6](C[5,6,6]C[6,6,6a]C[5,6,6]Cl)2(C[5,5,6a]C[5,6,6a]2)(Cl)	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,5,6]C[5,6,6]Cl)(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[6,6,6a])(C[5,5,6]C[5,5,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(Cl){2|Cl<1>,2|C<4>,6|C<3>}	C[5,5,6](C[5,6,6]C[6,6,6a]C[5,6,6]Cl)2(C[5,5,6a]C[5,6,6a]2)(Cl){2|Cl<1>,2|C<4>,5|C<3>}	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,5,6]C[5,6,6]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6]){3|Cl<1>,3|C<4>,6|C<3>}	114.4120	0.000	1	112.4195	7.940	2	112.4195	7.940	2	112.4195	7.940	2	113.7820	8.411	6	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6,6]	C[5,5,6]	C[6,6,6a]	3:4:4:1:	4:4:4:1:	4:3:3:	C[6,6,6a]-3:C[5,5,6]-4:C[5,6,6]-4:Cl-1:	C[5,5,6]-4:C[5,6,6]-4:C[5,6,6]-4:Cl-1:	C[5,6,6]-4:C[5,6,6a]-3:C[6,6a,6a]-3:	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,5,6]C[5,5,6]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2Cl)(Cl)	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(Cl)	C[6,6,6a](C[5,6,6]C[5,5,6]C[5,6,6]Cl)(C[5,6,6a]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[5,6,6a])(C[5,5,6]C[5,5,6]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2Cl)(Cl){3|Cl<1>,2|C<4>,6|C<3>}	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(Cl){2|Cl<1>,2|C<4>,5|C<3>}	C[6,6,6a](C[5,6,6]C[5,5,6]C[5,6,6]Cl)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6a,6a]C[5,6,6a]C[3x6a]){3|Cl<1>,4|C<3>,5|C<4>}	110.0920	0.000	1	110.0920	0.000	1	110.0920	0.000	1	110.0920	0.000	1	113.7820	8.411	6	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6,6]	C[5,5,6]	C[6,6a]	4:3:4:4:	4:4:4:1:	4:3:3:	C[5,5,6]-4:C[6,6a]-3:C[5,6]-4:C[6]-4:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]O[6]HH)	C[5,5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5,5]C[5,6]C[5]C)(C[5,6]C[6]O[5]H)(H)	C[6,6a](C[5,6,6]C[5,5,6]C[5,6]C[6])(C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]O[6]HH){2|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[5,5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5,5]C[5,6]C[5]C)(C[5,6]C[6]O[5]H)(H){1|O<1>,2|O<2>,3|C<3>,6|H<1>}	C[6,6a](C[5,6,6]C[5,5,6]C[5,6]C[6])(C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,3|O<2>,7|H<1>}	106.4830	0.000	1	106.4830	0.000	1	106.4830	0.000	1	106.4830	0.000	1	106.4830	0.000	1	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[6,6,6a]	3:3:4:1:	4:3:4:1:	3:4:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:Cl-1:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-4:Cl-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[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(Cl)	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,5,6]Cl)(Cl)	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]Cl)(C[6,6,6a]C[5,6,6a]C[3x6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(Cl){1|Cl<1>,2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,5,6]Cl)(Cl){1|Cl<1>,1|C<4>,7|C<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]Cl)(C[6,6,6a]C[5,6,6a]C[3x6]){2|Cl<1>,2|C<4>,7|C<3>}	116.7640	0.000	1	116.7640	0.000	1	116.7640	0.000	1	116.7640	0.000	1	111.3288	17.032	13	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[6,6,6a]	3:4:3:1:	4:3:3:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:Cl-1:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:Cl-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[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[5,6,6a]C[6,6,6a])(Cl)	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2)(Cl)	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(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]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[5,6,6a]C[6,6,6a])(Cl){2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2)(Cl){1|Cl<1>,2|C<4>,6|C<3>}	C[6,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6]){3|Cl<1>,1|C<4>,8|C<3>}	114.7380	0.303	2	114.7380	0.092	2	114.7380	0.092	2	114.7380	0.092	2	111.3288	17.032	13	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[6,6,6a]	3:4:4:1:	3:4:4:1:	3:3:4:	C[6,6,6a]-3:C[5,6,6]-4:C[5,6,6]-4:Cl-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-4:Cl-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[5,6,6a]C[5,6,6]Cl)2(Cl)	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(Cl)	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[5,6,6]2Cl)	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)2(Cl){2|Cl<1>,2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(Cl){2|Cl<1>,2|C<4>,6|C<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[5,6,6]2Cl){3|Cl<1>,4|C<4>,5|C<3>}	104.4670	0.000	1	104.4670	0.000	1	104.4670	0.000	1	104.4670	0.000	1	111.3288	17.032	13	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[6,6,6a]	3:4:4:1:	3:4:4:1:	3:4:3:	C[6,6,6a]-3:C[5,5,6]-4:C[5,6,6]-4:Cl-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-4:Cl-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[5,5,6]C[5,5,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(Cl)	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,5,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[6,6,6a]C[5,5,6]Cl)(Cl)	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,5,6]C[5,6,6]Cl)(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[6,6,6a])(C[5,5,6]C[5,5,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(Cl){2|Cl<1>,2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,5,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[6,6,6a]C[5,5,6]Cl)(Cl){2|Cl<1>,2|C<4>,6|C<3>}	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,5,6]C[5,6,6]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6]){3|Cl<1>,3|C<4>,6|C<3>}	106.7050	0.000	1	106.7050	0.000	1	108.8195	8.942	2	108.8195	8.942	2	111.3288	17.032	13	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[6,6,6a]	3:4:4:1:	3:4:4:1:	3:4:3:	C[6,6,6a]-3:C[5,5,6]-4:C[5,6,6]-4:Cl-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-4:Cl-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[5,5,6]C[5,5,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(Cl)	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,5,6a])(C[5,6,6]C[6,6,6a]C[5,5,6]Cl)(C[5,6,6]C[5,5,6]C[5,6,6]Cl)(Cl)	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,5,6]C[5,6,6]Cl)(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[6,6,6a])(C[5,5,6]C[5,5,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(Cl){2|Cl<1>,2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,5,6a])(C[5,6,6]C[6,6,6a]C[5,5,6]Cl)(C[5,6,6]C[5,5,6]C[5,6,6]Cl)(Cl){2|Cl<1>,2|C<4>,6|C<3>}	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,5,6]C[5,6,6]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6]){2|Cl<1>,3|C<4>,6|C<3>}	110.9340	0.000	1	110.9340	0.000	1	108.8195	8.942	2	108.8195	8.942	2	111.3288	17.032	13	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[6,6,6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[6,6,6a]-3:C[5,6,6]-4:C[5,6,6]-4:Cl-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6a]-3:Cl-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[5,6,6a]C[5,6,6]Cl)2(Cl)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6,6a]C[6,6,6a])(Cl)	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[5,6,6]2Cl)	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)2(Cl){2|Cl<1>,2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6,6a]C[6,6,6a])(Cl){2|Cl<1>,3|C<4>,5|C<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[5,6,6]2Cl){3|Cl<1>,4|C<4>,5|C<3>}	113.9490	0.000	1	113.9490	0.000	1	113.9490	0.000	1	113.9490	0.000	1	111.3288	17.032	13	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[6,6,6a]	3:4:4:1:	4:4:3:1:	4:3:3:	C[6,6,6a]-3:C[5,5,6]-4:C[5,6,6]-4:Cl-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:Cl-1:	C[5,6,6]-4:C[5,6,6a]-3:C[6,6a,6a]-3:	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,5,6]C[5,5,6]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2Cl)(Cl)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6]C[6,6,6a]C[5,5,6]Cl)(C[5,6,6]C[5,5,6]C[3x6])(Cl)	C[6,6,6a](C[5,6,6]C[5,5,6]C[5,6,6]Cl)(C[5,6,6a]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[5,6,6a])(C[5,5,6]C[5,5,6]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2Cl)(Cl){3|Cl<1>,2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6]C[6,6,6a]C[5,5,6]Cl)(C[5,6,6]C[5,5,6]C[3x6])(Cl){3|Cl<1>,3|C<4>,5|C<3>}	C[6,6,6a](C[5,6,6]C[5,5,6]C[5,6,6]Cl)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6a,6a]C[5,6,6a]C[3x6a]){3|Cl<1>,4|C<3>,5|C<4>}	112.8490	0.000	1	112.8490	0.000	1	112.8490	0.000	1	112.8490	0.000	1	111.3288	17.032	13	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[6,6,6a]	4:3:3:1:	4:3:3:1:	3:4:3:	C[5,6,6]-4:C[5,6,6a]-3:C[6,6,6a]-3:Cl-1:	C[5,6,6]-4:C[5,6,6a]-3:C[6,6,6a]-3:Cl-1:	C[5a,6,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[5a,6,6a]C[6,6,6a])(Cl)	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[5a,6,6a]C[6,6,6a])(Cl)	C[6,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[5a,6,6a]C[6,6,6a])(Cl){1|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[5a,6,6a]C[6,6,6a])(Cl){1|C<4>,7|C<3>}	C[6,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[5,6,6a]C[5,6,6]){1|Cl<1>,2|C<4>,8|C<3>}	115.6310	0.000	1	115.6310	0.000	1	115.6310	0.000	1	115.6310	0.000	1	111.3288	17.032	13	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[6,6,6a]	4:4:3:1:	3:4:4:1:	3:3:4:	C[5,6,6]-4:C[5,6,6]-4:C[6,6,6a]-3:Cl-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-4:Cl-1:	C[6,6,6a]-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]Cl)2(C[6,6,6a]C[5,6,6a]C[6,6,6a])(Cl)	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(Cl)	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[5,5,6])(C[5,6,6]C[5,6,6]2Cl)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)2(C[6,6,6a]C[5,6,6a]C[6,6,6a])(Cl){2|Cl<1>,2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(Cl){2|Cl<1>,2|C<4>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,5,6])(C[5,6,6]C[5,6,6]2Cl){4|Cl<1>,4|C<3>,5|C<4>}	105.3340	0.000	1	105.3340	0.000	1	105.3340	0.000	1	106.2885	1.822	2	111.3288	17.032	13	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[6,6,6a]	4:4:3:1:	3:4:4:1:	3:3:4:	C[5,6,6]-4:C[5,6,6]-4:C[6,6,6a]-3:Cl-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-4:Cl-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)2(C[6,6,6a]C[6,6,6a]2)(Cl)	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(Cl)	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)2(C[6,6,6a]C[6,6,6a]2)(Cl){1|Cl<1>,2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(Cl){2|Cl<1>,1|C<4>,7|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl){3|Cl<1>,4|C<4>,5|C<3>}	107.2430	0.000	1	107.2430	0.000	1	107.2430	0.000	1	106.2885	1.822	2	111.3288	17.032	13	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[6,6,6a]	4:4:3:1:	4:3:3:1:	3:3:4:	C[5,6,6]-4:C[5,6,6]-4:C[6,6,6a]-3:Cl-1:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:Cl-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)2(C[6,6,6a]C[6,6,6a]2)(Cl)	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(Cl)	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)2(C[6,6,6a]C[6,6,6a]2)(Cl){1|Cl<1>,2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(Cl){2|Cl<1>,4|C<3>,4|C<4>}	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[5,6,6]2Cl){3|Cl<1>,4|C<4>,5|C<3>}	112.9010	0.000	1	112.9010	0.000	1	112.9010	0.000	1	112.9010	0.000	1	111.3288	17.032	13	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[6,6,6a]	4:4:3:1:	4:4:3:1:	3:3:4:	C[5,6,6]-4:C[5,6,6]-4:C[6,6,6a]-3:Cl-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6a]-3:Cl-1:	C[6,6,6a]-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]Cl)2(C[6,6,6a]C[5,6,6a]C[6,6,6a])(Cl)	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,5,6]C[5,6,6]Cl)(C[5,6,6a]C[5,6,6a]2)(Cl)	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[5,5,6])(C[5,6,6]C[5,6,6]2Cl)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)2(C[6,6,6a]C[5,6,6a]C[6,6,6a])(Cl){2|Cl<1>,2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,5,6]C[5,6,6]Cl)(C[5,6,6a]C[5,6,6a]2)(Cl){2|Cl<1>,3|C<4>,5|C<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[5,5,6])(C[5,6,6]C[5,6,6]2Cl){4|Cl<1>,4|C<3>,5|C<4>}	111.0220	0.000	1	111.0220	0.000	1	111.0220	0.000	1	111.0220	0.000	1	111.3288	17.032	13	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[6,6a]	4:3:3:3:	4:3:4:1:	4:3:3:	C[5,6,6]-4:C[6,6a]-3:C[5]-3:C[6]-3:	C[5,6,6]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6](C[5,6,6]N[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]C)(C[6]C[6]H)	C[5,6,6](C[5,6,6]C[6,6a]C[5]C[6])(N[5,6]C[5]C[6])(C[6]C[6]HH)(H)	C[6,6a](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[5,6,6](C[5,6,6]N[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]C)(C[6]C[6]H){1|C<4>,3|C<3>,6|H<1>}	C[5,6,6](C[5,6,6]C[6,6a]C[5]C[6])(N[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[6,6a](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	104.5230	0.000	1	104.5230	0.000	1	104.5230	0.000	1	104.5230	0.000	1	112.7476	16.718	21	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[6,6a]	4:3:4:1:	4:4:3:1:	4:3:3:	C[5,6,6]-4:C[6,6a]-3:C[5,5,6]-4:H-1:	C[5,6,6]-4:C[5,5,6]-4:C[6,6a]-3:H-1:	C[5,6,6]-4:C[6a,6a]-3:C[6,6a]-3:	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[6,6a]C[6a,6a]C[6,6a])(C[5,5,6]C[5,5]C[5,6]H)(H)	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[6,6a]C[6a,6a]C[6,6a])(C[5,5,6]C[5,5]C[5,6]H)(H){1|C<4>,5|C<3>,5|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(H){2|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|N<3>,1|O<1>,3|C<4>,3|H<1>,4|C<3>}	115.6470	0.000	1	115.6470	0.000	1	115.6470	0.000	1	115.6470	0.000	1	112.7476	16.718	21	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[6,6a]	4:3:4:3:	4:3:4:1:	4:3:3:	C[5,6,6]-4:C[6,6a]-3:C[5]-4:C[6]-3:	C[5,6,6]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6](C[5,6,6]N[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]O)	C[5,6,6](C[5,6,6]C[6,6a]C[5]C[6])(N[5,6]C[5]C[6])(C[6]C[6]HH)(H)	C[6,6a](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[5,6,6](C[5,6,6]N[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]O){2|C<3>,2|C<4>,7|H<1>}	C[5,6,6](C[5,6,6]C[6,6a]C[5]C[6])(N[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,7|H<1>}	C[6,6a](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	108.5230	0.000	1	108.5230	0.000	1	108.5230	0.000	1	108.3840	0.039	2	112.7476	16.718	21	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[6,6a]	4:3:4:3:	4:3:4:1:	4:3:3:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:C[5]-3:	C[5,6,6]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6](C[5,6,6]N[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]C[5]H)	C[5,6,6](C[5,6,6]C[6,6a]C[5]C[6])(N[5,6]C[5]S[6])(C[6]C[6]HH)(H)	C[6,6a](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[5,6,6](C[5,6,6]N[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]C[5]H){1|C<4>,1|S<4>,2|C<3>,6|H<1>}	C[5,6,6](C[5,6,6]C[6,6a]C[5]C[6])(N[5,6]C[5]S[6])(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|O<1>,6|H<1>}	C[6,6a](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|O<1>,5|H<1>}	108.2450	0.000	1	108.2450	0.000	1	108.2450	0.000	1	108.3840	0.039	2	112.7476	16.718	21	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[6,6a]	4:3:4:3:	4:4:4:1:	4:3:3:	C[5,6,6]-4:C[6,6a]-3:C[5]-4:C[6]-3:	C[5,6,6]-4:N[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6](C[5,6,6]N[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HO)(C[6]C[6]H)	C[5,6,6](C[5,6,6]C[6,6a]C[5]C[6])(N[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6,6a](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[5,6,6](C[5,6,6]N[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HO)(C[6]C[6]H){2|C<3>,2|C<4>,7|H<1>}	C[5,6,6](C[5,6,6]C[6,6a]C[5]C[6])(N[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){2|O<2>,3|C<3>,7|H<1>}	C[6,6a](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|N<4>,2|C<3>,2|C<4>,2|O<2>,6|H<1>}	107.4560	1.121	2	107.4560	1.258	2	107.4560	1.258	2	107.4560	1.258	2	112.7476	16.718	21	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[6,6a]	4:3:4:3:	4:4:4:4:	4:3:3:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:N[5]-3:	C[5,6,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6](C[5,6,6]C[5,6]C[6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]S)	C[5,6,6](C[5,6,6]C[6,6a]C[6]N[5])(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(CH3)	C[6,6a](C[5,6,6]C[5,6,6]C[6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6,6](C[5,6,6]C[5,6]C[6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]S){2|C<3>,3|C<4>,7|H<1>}	C[5,6,6](C[5,6,6]C[6,6a]C[6]N[5])(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(CH3){1|C<4>,1|S<4>,2|C<3>,8|H<1>}	C[6,6a](C[5,6,6]C[5,6,6]C[6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|S<4>,5|C<4>,6|H<1>}	112.3200	0.000	1	112.3200	0.000	1	112.3200	0.000	1	112.3200	0.000	1	112.7476	16.718	21	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[6,6a]	4:3:4:4:	4:4:2:1:	4:3:3:	C[5,6,6]-4:C[6,6a]-3:C[5,6]-4:C-4:	C[5,6,6]-4:C[6,6]-4:O[5]-2: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[5,6,6](C[5,6,6]C[6,6a]C[5,6]C)(C[6,6]C[6]N[6]H)(O[5]C[5])(H)	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[5,6,6](C[5,6,6]C[6,6a]C[5,6]C)(C[6,6]C[6]N[6]H)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	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>}	112.3460	0.000	1	112.3460	0.000	1	112.3460	0.000	1	112.3460	0.000	1	112.7476	16.718	21	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[6,6a]	4:3:4:4:	4:4:4:1:	4:3:3:	C[5,6,6]-4:C[6,6a]-3:C[5]-4:C[6]-4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6,6](C[5,6,6]C[6,6a]C[5]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6,6a](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,2|C<4>,8|H<1>}	C[5,6,6](C[5,6,6]C[6,6a]C[5]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){10|H<1>,1|C<4>,2|C<3>}	C[6,6a](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,4|C<4>,8|H<1>}	107.9340	0.000	1	107.9340	0.000	1	107.9340	0.000	1	108.1290	0.076	2	112.7476	16.718	21	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[6,6a]	4:3:4:4:	4:4:4:1:	4:3:3:	C[5,6,6]-4:C[6,6a]-3:C[5]-4:C[6]-4:	C[5,6,6]-4:N[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6](C[5,6,6]N[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6,6](C[5,6,6]C[6,6a]C[5]C[6])(N[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6,6a](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[5,6,6](C[5,6,6]N[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,2|C<4>,8|H<1>}	C[5,6,6](C[5,6,6]C[6,6a]C[5]C[6])(N[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){10|H<1>,1|C<4>,2|C<3>}	C[6,6a](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<3>,1|N<4>,1|O<2>,3|C<4>,8|H<1>}	108.3240	0.000	1	108.3240	0.000	1	108.3240	0.000	1	108.1290	0.076	2	112.7476	16.718	21	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[6,6a]	4:4:3:1:	4:3:4:1:	4:3:3:	C[5,6,6]-4:C[5,5,6]-4:C[6,6a]-3:H-1:	C[5,6,6]-4:C[6,6a]-3:C[5,5,6]-4:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[6,6a]C[6a,6a]C[6,6a])(C[5,5,6]C[5,5]C[5,6]H)(H)	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]C)	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(H){2|C<4>,4|C<3>,5|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[6,6a]C[6a,6a]C[6,6a])(C[5,5,6]C[5,5]C[5,6]H)(H){1|C<4>,5|C<3>,5|H<1>}	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]C){3|C<3>,3|C<4>,4|H<1>}	116.5180	0.000	1	116.5180	0.000	1	116.5180	0.000	1	116.5180	0.000	1	112.7476	16.718	21	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[6,6a]	4:4:3:1:	4:4:2:1:	4:3:3:	C[5,5,6]-4:C[5,6,6]-4:C[6,6a]-3:H-1:	C[5,6,6]-4:C[5,5,6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6,6]C[5,5,6]O[6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,6]N[5,5]H)(O[6]C[6])(H)	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[5,6,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6,6]C[5,5,6]O[6]H)(C[6,6a]C[6,6a]C[6a])(H){3|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,6]N[5,5]H)(O[6]C[6])(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	116.3480	0.000	1	116.3480	0.000	1	116.3480	0.000	1	116.3480	0.000	1	112.7476	16.718	21	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[6,6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6]-4:C[6,6a]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]N[6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]C[6,6a]H)(N[6]C[6]H)(H)	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]N[6]H)(C[6,6a]C[6,6a]C[6a])(H){3|H<1>,5|C<3>}	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]C[6,6a]H)(N[6]C[6]H)(H){1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	115.5280	0.000	1	115.5280	0.000	1	115.5280	0.000	1	115.6915	0.053	2	112.7476	16.718	21	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[6,6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6]-4:C[6,6a]-3:H-1:	C[5,6,6]-4:C[5,5,6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]N[6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(N[6]C[6]H)(H)	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]N[6]H)(C[6,6a]C[6,6a]C[6a])(H){4|C<3>,6|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(N[6]C[6]H)(H){1|O<1>,3|C<3>,4|H<1>}	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	115.8550	0.000	1	115.8550	0.000	1	115.8550	0.000	1	115.6915	0.053	2	112.7476	16.718	21	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[6,6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[5,5,6]-4:C[5,6,6]-4:C[6,6a]-3:H-1:	C[5,6,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6a]N[6]H)(H)	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|N<3>,3|C<3>,7|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6a]N[6]H)(H){1|C<4>,4|C<3>,6|H<1>}	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<3>,4|C<4>,4|H<1>}	114.5480	0.000	1	114.5480	0.000	1	114.0640	0.469	2	115.8109	1.599	7	112.7476	16.718	21	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[6,6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[5,5,6]-4:C[5,6,6]-4:C[6,6a]-3:H-1:	C[5,6,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6a]O[6]H)(H)	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|O<2>,3|C<3>,7|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6a]O[6]H)(H){1|C<4>,1|N<2>,3|C<3>,5|H<1>}	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,4|C<4>,4|H<1>}	113.5800	0.000	1	113.5800	0.000	1	114.0640	0.469	2	115.8109	1.599	7	112.7476	16.718	21	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[6,6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[5,6,6]-4:C[5,5,6]-4:C[6,6a]-3:H-1:	C[5,6,6]-4:C[5,5,6]-4:Si[6]-4:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6](C[5,6,6]C[5,5,6]Si[6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(Si[6]C[6a]2C[6])(H)	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6,6](C[5,6,6]C[5,5,6]Si[6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(H){2|C<4>,4|C<3>,6|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(Si[6]C[6a]2C[6])(H){1|C<4>,6|C<3>,7|H<1>}	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Si<4>,1|C<3>,3|C<4>,6|H<1>}	116.6280	0.000	1	116.6280	0.000	1	116.6280	0.000	1	115.8109	1.599	7	112.7476	16.718	21	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[6,6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[5,6,6]-4:C[5,5,6]-4:C[6,6a]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,5,6]-4:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,5,6]C[5,5]C[5,6]Cl)(C[6,6a]C[6,6a]C[6a])(H)	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]Cl)(H)	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,5,6]C[5,5]C[5,6]Cl)(C[6,6a]C[6,6a]C[6a])(H){4|Cl<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]Cl)(H){5|Cl<1>,1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H){1|Cl<1>,2|C<3>,4|C<4>,4|H<1>}	116.4800	0.434	4	116.4800	0.188	4	116.4800	0.188	4	115.8109	1.599	7	112.7476	16.718	21	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6,6]	C[5,6]	C[6,6,6a]	3:3:4:3:	4:4:1:1:	4:3:3:	C[6,6,6a]-3:C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6a,6a]-3:C[6,6a,6a]-3:	C[5,6,6](C[6,6,6a]C[6,6a,6a]2)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]C[6]H)	C[5,6](C[5,6,6]C[6,6,6a]C[5,6a]C[6])(C[5,6]C[5,6a]C[6,6a]H)(H)2	C[6,6,6a](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6,6a,6a]C[3x6a]C[6,6a])2	C[5,6,6](C[6,6,6a]C[6,6a,6a]2)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]C[6]H){3|H<1>,6|C<3>}	C[5,6](C[5,6,6]C[6,6,6a]C[5,6a]C[6])(C[5,6]C[5,6a]C[6,6a]H)(H)2{1|H<1>,6|C<3>}	C[6,6,6a](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6,6a,6a]C[3x6a]C[6,6a])2{1|C<4>,3|H<1>,8|C<3>}	108.2930	0.000	1	108.2930	0.000	1	108.2930	0.000	1	108.2930	0.000	1	107.9616	2.843	12	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6,6]	C[5,6]	C[6,6,6a]	3:3:4:4:	4:4:2:1:	4:3:3:	C[5,6a]-3:C[6,6,6a]-3:C[5,6]-4:C[6]-4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[5,6,6](C[5,6a]C[5,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[5,6]C[5,6]HO)(C[6]O[6]HH)	C[5,6](C[5,6,6]C[6,6,6a]C[5,6a]C[6])(C[5,6]C[5,6a]C[6]H)(OC)(H)	C[6,6,6a](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6,6a]C[6a]C[6])2	C[5,6,6](C[5,6a]C[5,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[5,6]C[5,6]HO)(C[6]O[6]HH){1|H<1>,1|O<2>,6|C<3>}	C[5,6](C[5,6,6]C[6,6,6a]C[5,6a]C[6])(C[5,6]C[5,6a]C[6]H)(OC)(H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6,6,6a](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6,6a]C[6a]C[6])2{2|C<4>,2|O<1>,3|C<3>,3|H<1>,3|O<2>}	105.9990	0.791	2	105.9990	0.625	2	105.9990	0.625	2	105.9990	0.625	2	107.9616	2.843	12	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6,6]	C[5,6]	C[6,6,6a]	3:4:4:1:	4:4:1:1:	3:4:3:	C[6,6,6a]-3:C[5,6]-4:C[5,6]-4:H-1:	C[3,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[6,6,6a]-3:C[5,6,6]-4:C[6a]-3:	C[5,6,6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6]C[3,5,6]N[5]H)(C[5,6]C[3,5,6]HH)(H)	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]C)(C[5,6,6]C[6,6,6a]C[5,6]H)(H)2	C[6,6,6a](C[6,6,6a]C[3,6,6]C[6a])(C[5,6,6]C[5,6]2H)(C[6a]C[6a]H)	C[5,6,6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6]C[3,5,6]N[5]H)(C[5,6]C[3,5,6]HH)(H){2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]C)(C[5,6,6]C[6,6,6a]C[5,6]H)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6,6,6a](C[6,6,6a]C[3,6,6]C[6a])(C[5,6,6]C[5,6]2H)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	107.5750	0.000	1	107.5750	0.000	1	107.5750	0.000	1	107.5750	0.000	1	107.9616	2.843	12	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6,6]	C[5,6]	C[6,6,6a]	3:4:4:1:	4:4:3:1:	3:4:3:	C[6,6,6a]-3:C[5,6]-4:C[5,6]-4:H-1:	C[3,5,6]-4:C[5,6,6]-4:N[5]-3:H-1:	C[6,6,6a]-3:C[5,6,6]-4:C[6a]-3:	C[5,6,6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6]C[3,5,6]N[5]H)(C[5,6]C[3,5,6]HH)(H)	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,6,6]C[6,6,6a]C[5,6]H)(N[5]C[5]2)(H)	C[6,6,6a](C[6,6,6a]C[3,6,6]C[6a])(C[5,6,6]C[5,6]2H)(C[6a]C[6a]H)	C[5,6,6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6]C[3,5,6]N[5]H)(C[5,6]C[3,5,6]HH)(H){2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,6,6]C[6,6,6a]C[5,6]H)(N[5]C[5]2)(H){2|C<3>,3|C<4>,7|H<1>}	C[6,6,6a](C[6,6,6a]C[3,6,6]C[6a])(C[5,6,6]C[5,6]2H)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	109.7770	0.000	1	109.7770	0.000	1	109.7770	0.000	1	109.7770	0.000	1	107.9616	2.843	12	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6,6]	C[5,6]	C[6,6,6a]	3:4:4:4:	4:4:4:2:	3:3:4:	C[6,6,6a]-3:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[5,6]-4:C-4:O-2:	C[6,6,6a]-3:C[6,6a,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]C[5,6]CO)(C[5]C[5]HH)(C[6]C[6]HO)	C[5,6](C[5,6,6]C[6,6,6a]C[5]C[6])(C[5,6]C[6,6]C[5]H)(CH3)(OH)	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[6,6])(C[6,6a,6a]C[6a,6a]C[6,6a])(C[5,6,6]C[5,6]C[5]C[6])	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6]C[5,6]CO)(C[5]C[5]HH)(C[6]C[6]HO){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5,6](C[5,6,6]C[6,6,6a]C[5]C[6])(C[5,6]C[6,6]C[5]H)(CH3)(OH){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[6,6])(C[6,6a,6a]C[6a,6a]C[6,6a])(C[5,6,6]C[5,6]C[5]C[6]){2|O<2>,3|C<4>,3|H<1>,6|C<3>}	108.0393	0.916	3	108.0393	0.839	3	108.0393	0.839	3	108.0393	0.839	3	107.9616	2.843	12	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6,6]	C[5,6]	C[6,6,6a]	4:3:3:4:	4:3:2:1:	4:3:3:	C[5,6]-4:C[6,6,6a]-3:N[5,6]-3:C-4:	C[5,6,6]-4:C[6,6a]-3:O[5]-2: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[5,6](C[5,6,6]C[6,6,6a]N[5,6]C)(C[6,6a]C[6,6a]C[6a])(O[5]C[5])(H)	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[5,6](C[5,6,6]C[6,6,6a]N[5,6]C)(C[6,6a]C[6,6a]C[6a])(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,4|C<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>}	106.2940	0.000	1	106.2940	0.000	1	106.2940	0.000	1	106.2940	0.000	1	107.9616	2.843	12	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6,6]	C[5,6]	C[6,6,6a]	4:3:4:3:	4:4:4:1:	4:3:3:	C[5,6]-4:C[6,6,6a]-3:C[5]-4:C[6]-3:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[5,6,6](C[5,6]C[6,6]C[5]H)(C[6,6,6a]C[6,6a]2)(C[5]C[5]HH)(C[6]C[6]O)	C[5,6](C[5,6,6]C[6,6,6a]C[5]C[6])(C[6,6]C[6]O[6]2)(C[5]C[5]HH)(H)	C[6,6,6a](C[5,6,6]C[5,6]C[5]C[6])(C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]C[6])	C[5,6,6](C[5,6]C[6,6]C[5]H)(C[6,6,6a]C[6,6a]2)(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,1|O<1>,2|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6,6]C[6,6,6a]C[5]C[6])(C[6,6]C[6]O[6]2)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6,6,6a](C[5,6,6]C[5,6]C[5]C[6])(C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]C[6]){1|O<1>,2|O<2>,3|C<3>,3|C<4>,3|H<1>}	111.8050	0.000	1	111.8050	0.000	1	111.8050	0.000	1	111.8050	0.000	1	107.9616	2.843	12	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6,6]	C[5,6]	C[6,6,6a]	4:3:4:4:	4:4:2:1:	4:3:3:	C[5,6]-4:C[6,6,6a]-3:C[5,6]-4:C[6]-4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[5,6,6](C[5,6]C[5,6]C[6]H)(C[6,6,6a]C[6,6a]2)(C[5,6]C[5,6]HO)(C[6]O[6]HH)	C[5,6](C[5,6,6]C[6,6,6a]C[5,6]C[6])(C[5,6]C[5,6]C[6]H)(OC)(H)	C[6,6,6a](C[5,6,6]C[5,6]2C[6])(C[6,6a]C[6a]C[6])2	C[5,6,6](C[5,6]C[5,6]C[6]H)(C[6,6,6a]C[6,6a]2)(C[5,6]C[5,6]HO)(C[6]O[6]HH){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	C[5,6](C[5,6,6]C[6,6,6a]C[5,6]C[6])(C[5,6]C[5,6]C[6]H)(OC)(H){1|O<1>,2|O<2>,3|H<1>,4|C<3>}	C[6,6,6a](C[5,6,6]C[5,6]2C[6])(C[6,6a]C[6a]C[6])2{2|C<3>,2|O<1>,3|C<4>,3|O<2>,4|H<1>}	107.8395	0.325	2	107.8395	0.105	2	107.8395	0.105	2	107.8395	0.105	2	107.9616	2.843	12	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6,6]	C[5,6]	C[6,6a]	3:4:2:3:	4:4:4:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:O[5,6]-2:C[6]-3:	C[5,6,6]-4:C[5,5]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]H)(O[5,6]C[5,5,6])(C[6]C[6]O)	C[5,6](C[5,6,6]C[6,6a]O[5,6]C[6])(C[5,5]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)	C[6,6a](C[5,6,6]C[5,6]O[5,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]H)(O[5,6]C[5,5,6])(C[6]C[6]O){2|C<3>,3|C<4>,7|H<1>}	C[5,6](C[5,6,6]C[6,6a]O[5,6]C[6])(C[5,5]C[5,5,6]C[5]H)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6,6a](C[5,6,6]C[5,6]O[5,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	116.7180	0.000	1	116.7180	0.000	1	116.7180	0.000	1	116.5795	0.038	2	112.1273	14.491	7	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6,6]	C[5,6]	C[6,6a]	3:4:2:3:	4:4:4:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:O[5,6]-2:C[6]-3:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5,6]C[5,6])(C[6]C[6]O)	C[5,6](C[5,6,6]C[6,6a]O[5,6]C[6])(C[5]C[5,6]CH)(C[6]C[6]HH)(H)	C[6,6a](C[5,6,6]C[5,6]O[5,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5,6]C[5,6])(C[6]C[6]O){1|C<4>,4|C<3>,6|H<1>}	C[5,6](C[5,6,6]C[6,6a]O[5,6]C[6])(C[5]C[5,6]CH)(C[6]C[6]HH)(H){1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[5,6,6]C[5,6]O[5,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	116.4410	0.000	1	116.4410	0.000	1	116.4410	0.000	1	116.5795	0.038	2	112.1273	14.491	7	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6,6]	C[5,6]	C[6,6a]	3:4:4:3:	4:3:3:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:C[6]-3:	C[5,6,6]-4:C[5]-3:N[6]-3:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(C[5,6]C[6]N[5]H)(C[6]C[6]H)	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5]N[5]O)(N[6]C[6]C)(H)	C[6,6a](C[5,6,6]C[5,6]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(C[5,6]C[6]N[5]H)(C[6]C[6]H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5]N[5]O)(N[6]C[6]C)(H){2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[5,6,6]C[5,6]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<4>,1|O<2>,2|N<3>,3|C<3>,6|H<1>}	111.0490	0.000	1	111.0490	0.000	1	111.0490	0.000	1	111.0490	0.000	1	112.1273	14.491	7	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6,6]	C[5,6]	C[6,6a]	3:4:4:3:	4:4:2:2:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:C[6]-3:	C[5,6,6]-4:C[5]-4:O[6]-2:O-2:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]O)(C[5,6]C[6]N[5]H)(C[6]C[6]H)	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5]N[5]HH)(O[6]C[6])(OH)	C[6,6a](C[5,6,6]C[5,6]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]O)(C[5,6]C[6]N[5]H)(C[6]C[6]H){2|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5]N[5]HH)(O[6]C[6])(OH){2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[5,6,6]C[5,6]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|N<3>,2|C<3>,2|C<4>,3|O<2>,5|H<1>}	111.6910	0.663	2	111.7603	0.234	3	111.7603	0.234	3	111.7603	0.234	3	112.1273	14.491	7	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6,6]	C[5,6]	C[6,6a]	3:4:4:3:	4:4:2:2:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:C[6]-3:	C[5,6,6]-4:C[5]-4:O[6]-2:O-2:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]O)(C[5,6]C[6]N[5]H)(C[6]C[6]H)	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5]N[5]HH)(O[6]C[6])(OH)	C[6,6a](C[5,6,6]C[5,6]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]O)(C[5,6]C[6]N[5]H)(C[6]C[6]H){2|C<3>,3|C<4>,7|H<1>}	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5]N[5]HH)(O[6]C[6])(OH){2|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[5,6,6]C[5,6]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|N<4>,2|C<3>,2|C<4>,3|O<2>,5|H<1>}	111.8990	0.000	1	111.7603	0.234	3	111.7603	0.234	3	111.7603	0.234	3	112.1273	14.491	7	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6,6]	C[5,6]	C[6,6a]	3:4:4:4:	4:4:1:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]S[5]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5,6]N[6]S[5]H)(H)2	C[6,6a](C[5,6,6]C[5,6]2C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]S[5]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,2|O<1>,4|H<1>}	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5,6]N[6]S[5]H)(H)2{1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[5,6,6]C[5,6]2C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<3>,2|C<4>,3|C<3>,7|H<1>}	105.4020	0.000	1	105.4020	0.000	1	105.4020	0.000	1	105.4020	0.000	1	112.1273	14.491	7	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[3x5,6]	C[6,6a]	4:3:4:1:	4:4:4:3:	4:3:3:	C[3x5,6]-4:C[6,6a]-3:C[5]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,5]-4:C[5]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]N[5]H)(H)	C[3x5,6](C[5,5,6]C[5,6a]O[5]O[6])(C[5,6]C[6,6a]C[5]H)(C[5,5]C[5]N[5]C)(C[5]C[5,6a]O)	C[6,6a](C[5,6]C[3x5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]N[5]H)(H){1|O<1>,2|H<1>,2|O<2>,8|C<3>}	C[3x5,6](C[5,5,6]C[5,6a]O[5]O[6])(C[5,6]C[6,6a]C[5]H)(C[5,5]C[5]N[5]C)(C[5]C[5,6a]O){1|O<1>,2|H<1>,5|C<3>}	C[6,6a](C[5,6]C[3x5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	112.5660	0.000	1	112.5660	0.000	1	112.5660	0.000	1	112.5660	0.000	1	112.5660	0.000	1	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,3x6]	C[6,6a]	4:3:2:1:	4:4:4:1:	4:3:3:	C[5,3x6]-4:C[6,6a]-3:O[5]-2:H-1:	C[5,3x6]-4:C[5,6]-4:C[3x6]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5,6,6])(H)	C[5,3x6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6]C[6,6a]O[5]H)(C[3x6]C[3x6]C[6]H)(H)	C[6,6a](C[5,6]C[5,3x6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5,6,6])(H){2|C<3>,4|C<4>,4|H<1>}	C[5,3x6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6]C[6,6a]O[5]H)(C[3x6]C[3x6]C[6]H)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6,6a](C[5,6]C[5,3x6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	114.5325	0.677	2	114.5325	0.458	2	114.5325	0.458	2	114.5325	0.458	2	114.5325	0.458	2	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,5,6,6]	C[6,6a]	4:3:2:1:	4:4:4:4:	4:3:3:	C[5,5,6,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[6,6a]C[6,6a]C[6a])(O[5]C[5])(H)	C[5,5,6,6](C[5,5,6]C[5]C[6]O[5])(C[5,6]C[6,6a]O[5]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)	C[6,6a](C[5,6]C[5,5,6,6]O[5]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[6,6a]C[6,6a]C[6a])(O[5]C[5])(H){1|O<2>,2|C<3>,4|C<4>,6|H<1>}	C[5,5,6,6](C[5,5,6]C[5]C[6]O[5])(C[5,6]C[6,6a]O[5]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH){2|C<3>,2|C<4>,6|H<1>}	C[6,6a](C[5,6]C[5,5,6,6]O[5]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,6|C<4>}	116.0460	0.000	1	116.0460	0.000	1	116.0460	0.000	1	116.0460	0.000	1	116.0460	0.000	1	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[6,6a]	4:3:2:1:	4:4:4:1:	4:3:3:	C[5,5,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5])(H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[6,6a]O[5]H)(C[5,5]C[5]2H)(H)	C[6,6a](C[5,6]C[5,5,6]O[5]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5])(H){1|C<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[6,6a]O[5]H)(C[5,5]C[5]2H)(H){1|C<2>,1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6,6a](C[5,6]C[5,5,6]O[5]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	118.6895	0.127	2	118.6895	0.016	2	118.6895	0.016	2	117.7837	2.470	3	113.4379	5.828	22	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[6,6a]	4:3:2:1:	4:4:4:1:	4:3:3:	C[5,5,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5])(H)	C[5,5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]O[6]C)(C[5,5]C[5]2H)(H)	C[6,6a](C[5,6]C[5,5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5])(H){1|H<1>,2|C<3>,2|O<2>,5|C<4>}	C[5,5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]O[6]C)(C[5,5]C[5]2H)(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[5,6]C[5,5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|C<3>,3|C<4>,3|H<1>}	115.9720	0.000	1	115.9720	0.000	1	115.9720	0.000	1	117.7837	2.470	3	113.4379	5.828	22	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[6,6a]	4:3:2:1:	4:4:4:2:	4:3:3:	C[5,5,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:O[6]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5]O[6])(C[6,6a]C[6,6a]C[6a])(O[5]C[5])(H)	C[5,5,6](C[5,6]C[6,6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(O[6]C[6])	C[6,6a](C[5,6]C[5,5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,5]C[5]O[6])(C[6,6a]C[6,6a]C[6a])(O[5]C[5])(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[5,5,6](C[5,6]C[6,6a]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)(O[6]C[6]){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[5,6]C[5,5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,2|O<2>,5|C<4>}	114.1575	0.121	2	114.1575	0.015	2	114.1575	0.015	2	114.1575	0.015	2	113.4379	5.828	22	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[6,6a]	4:3:3:1:	3:4:3:4:	4:3:3:	C[5,5,6]-4:C[6,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,6]-4:N[5,6]-3:C[5]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,6a]N[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(N[5]C[5]C)(H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5]H)(N[5,6]C[5]C[6])(C[5]C[5]HH)	C[6,6a](C[5,6]C[5,5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,6a]N[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(N[5]C[5]C)(H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5]H)(N[5,6]C[5]C[6])(C[5]C[5]HH){1|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	115.5620	0.000	1	115.5620	0.000	1	115.5620	0.000	1	115.5620	0.000	1	113.4379	5.828	22	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[6,6a]	4:3:3:1:	4:3:4:1:	4:3:3:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]H)(H)	C[5,5,6](C[5,5,6]C[5,6]C[5]C)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]H)(H)	C[6,6a](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]H)(H){1|C<4>,1|H<1>,2|C<2>,4|C<3>}	C[5,5,6](C[5,5,6]C[5,6]C[5]C)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]H)(H){1|C<2>,3|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,5|H<1>}	112.2410	0.000	1	112.2410	0.000	1	112.2410	0.000	1	112.2410	0.000	1	113.4379	5.828	22	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[6,6a]	4:3:3:1:	4:3:4:3:	4:3:3:	C[5,5,6]-4:C[6,6a]-3:N[5]-3:H-1:	C[5,6]-4:C[5,5]-3:C[6]-4:C[5]-3:	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])(N[5]C[5]S)(H)	C[5,5,6](C[5,6]C[6,6a]N[5]H)(C[5,5]C[5]2)(C[6]O[6]HH)(C[5]C[5]C)	C[6,6a](C[5,6]C[5,5,6]N[5]H)(C[6,6a]C[6a]O[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])(N[5]C[5]S)(H){1|O<2>,5|C<3>,5|H<1>}	C[5,5,6](C[5,6]C[6,6a]N[5]H)(C[5,5]C[5]2)(C[6]O[6]HH)(C[5]C[5]C){1|O<1>,1|S<3>,2|C<3>,3|H<1>}	C[6,6a](C[5,6]C[5,5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|S<3>,2|C<4>,2|H<1>,3|C<3>}	112.4870	0.000	1	112.4870	0.000	1	112.4870	0.000	1	112.4870	0.000	1	113.4379	5.828	22	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[6,6a]	4:3:3:1:	4:4:2:4:	4:3:3:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:C[5]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5]O[5]O)(H)	C[5,5,6](C[5,6]C[5,6a]O[6]H)(C[5,6]C[6,6a]C[5]H)(O[5]C[5,6a])(C[5]O[5]CC)	C[6,6a](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]C)	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5]O[5]O)(H){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	C[5,5,6](C[5,6]C[5,6a]O[6]H)(C[5,6]C[6,6a]C[5]H)(O[5]C[5,6a])(C[5]O[5]CC){1|O<1>,4|C<3>}	C[6,6a](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]C){1|O<1>,2|C<3>,2|C<4>,3|O<2>}	115.0730	0.000	1	115.0730	0.000	1	115.0730	0.000	1	115.0730	0.000	1	113.4379	5.828	22	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[6,6a]	4:3:3:1:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6,6a]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6a]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H)	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6a]C[6,6a]H)(C[5,6a]C[5,6a]C[6a])(H)	C[6,6a](C[5,6]C[5,5,6]C[5,6a]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H){4|C<4>,6|C<3>}	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6a]C[6,6a]H)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,5,6]C[5,6a]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C){2|C<4>,3|H<1>,5|C<3>}	111.6980	0.140	2	111.6980	0.020	2	111.6980	0.020	2	112.1327	0.577	3	113.4379	5.828	22	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[6,6a]	4:3:3:1:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:H-1:	C[3,5,5]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[3,5,5]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[3,5]O)(H)	C[5,5,6](C[3,5,5]C[3,5]C[3]C[5])(C[5,6]C[6,6a]C[5]H)(N[5,6]C[5]C[6])(H)	C[6,6a](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[5,6](C[5,5,6]C[3,5,5]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[3,5]O)(H){2|C<3>,2|H<1>,4|C<4>}	C[5,5,6](C[3,5,5]C[3,5]C[3]C[5])(C[5,6]C[6,6a]C[5]H)(N[5,6]C[5]C[6])(H){1|O<1>,2|C<3>,9|H<1>}	C[6,6a](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	113.0020	0.000	1	113.0020	0.000	1	113.0020	0.000	1	112.1327	0.577	3	113.4379	5.828	22	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[6,6a]	4:3:3:1:	4:4:3:2:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6,6a]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-3:C-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H)	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]C[5]C)(CN)	C[6,6a](C[5,6]C[5,5,6]C[5,6a]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H){1|C<2>,1|C<4>,3|H<1>,5|C<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]C[5]C)(CN){2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,5,6]C[5,6a]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,3|H<1>,5|C<3>}	110.6360	0.000	1	110.6360	0.000	1	110.6360	0.000	1	110.6360	0.000	1	113.4379	5.828	22	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[6,6a]	4:3:3:1:	4:4:3:4:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6,6a]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6a]-3:C-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H)	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[6,6a](C[5,6]C[5,5,6]C[5,6a]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,3|C<4>,6|C<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){1|C<4>,1|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,5,6]C[5,6a]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<4>,5|C<3>}	111.8715	0.060	2	111.8715	0.004	2	111.8715	0.004	2	111.8715	0.004	2	113.4379	5.828	22	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[6,6a]	4:3:3:1:	4:4:4:4:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H)	C[5,5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5,5]C[5,6a]C[5]H)(C[5,6]C[5,6]HH)(CH3)	C[6,6a](C[5,6]C[5,5,6]C[5,6a]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H){2|C<4>,4|C<3>,5|H<1>}	C[5,5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5,5]C[5,6a]C[5]H)(C[5,6]C[5,6]HH)(CH3){2|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,5,6]C[5,6a]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>,4|C<4>}	112.8610	0.000	1	112.8610	0.000	1	112.8610	0.000	1	112.8610	0.000	1	113.4379	5.828	22	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[6,6a]	4:3:3:2:	4:4:3:3:	4:3:3:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:O-2:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[5]O[5]O)(OC)	C[5,5,6](C[5,5]C[5,6a]O[5]H)(C[5,6]C[6,6a]C[5]O)(C[5,6]C[5,6a]C[6])(COO)	C[6,6a](C[5,6]C[5,5,6]C[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[5]O[5]O)(OC){2|H<1>,5|C<3>}	C[5,5,6](C[5,5]C[5,6a]O[5]H)(C[5,6]C[6,6a]C[5]O)(C[5,6]C[5,6a]C[6])(COO){1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[5,6]C[5,5,6]C[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	113.2700	0.000	1	113.1635	0.023	2	113.1635	0.023	2	113.4047	0.186	3	113.4379	5.828	22	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[6,6a]	4:3:3:2:	4:4:3:3:	4:3:3:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:O-2:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[5]O[5]O)(OC)	C[5,5,6](C[5,5]C[5,6a]O[5]H)(C[5,6]C[6,6a]C[5]O)(C[5,6]C[5,6a]C[6])(COO)	C[6,6a](C[5,6]C[5,5,6]C[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[5]O[5]O)(OC){2|H<1>,5|C<3>}	C[5,5,6](C[5,5]C[5,6a]O[5]H)(C[5,6]C[6,6a]C[5]O)(C[5,6]C[5,6a]C[6])(COO){1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[5,6]C[5,5,6]C[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	113.0570	0.000	1	113.1635	0.023	2	113.1635	0.023	2	113.4047	0.186	3	113.4379	5.828	22	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[6,6a]	4:3:3:2:	4:4:3:3:	4:3:3:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:O-2:	C[5,6]-4:C[5,5]-4:C[5,6]-3:C-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[5]O[5]O)(OC)	C[5,5,6](C[5,6]C[6,6a]C[5]O)(C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6])(COO)	C[6,6a](C[5,6]C[5,5,6]C[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[5]O[5]O)(OC){2|H<1>,5|C<3>}	C[5,5,6](C[5,6]C[6,6a]C[5]O)(C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6])(COO){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[5,6]C[5,5,6]C[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	113.8870	0.000	1	113.8870	0.000	1	113.8870	0.000	1	113.4047	0.186	3	113.4379	5.828	22	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[6,6a]	4:3:4:1:	4:2:4:4:	3:4:3:	C[5,5,6]-4:C[6,6a]-3:C[5]-4:H-1:	C[5,6]-4:O[5,6]-2:C[5]-4:C[5]-4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]O[5]H)(H)	C[5,5,6](C[5,6]C[6,6a]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[5]O[5]HH)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[5,6]C[5,5,6]C[5]H)(C[6a]C[6a]H)	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]O[5]H)(H){2|C<4>,4|C<3>,5|H<1>}	C[5,5,6](C[5,6]C[6,6a]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[5]O[5]HH){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[5,6]C[5,5,6]C[5]H)(C[6a]C[6a]H){2|C<3>,2|O<2>,3|H<1>,4|C<4>}	112.7960	0.000	1	112.7960	0.000	1	112.7960	0.000	1	112.7960	0.000	1	113.4379	5.828	22	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[6,6a]	4:3:4:4:	4:3:4:4:	4:3:3:	C[5,5,6]-4:C[6,6a]-3:C[5]-4:C-4:	C[5,6]-4:C[5,5]-3:C[5]-4:C[6]-4:	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[5,5,6](C[5,6]C[6,6a]C[5]C)(C[5,5]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)	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[5,5,6](C[5,6]C[6,6a]C[5]C)(C[5,5]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	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>}	113.9750	0.000	1	113.9750	0.000	1	113.9750	0.000	1	113.9750	0.000	1	113.4379	5.828	22	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[6,6a]	4:4:3:2:	4:4:3:2:	4:3:3:	C[3,5,6]-4:C[5,5,6]-4:C[6,6a]-3:O-2:	C[5,6]-4:C[5,6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[3,5,6]C[3,5,6]C[6]O[3])(C[5,5,6]C[5,6]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(OH)	C[5,5,6](C[5,6]C[3,5,6]C[6,6a]O)(C[5,6]C[3,5,6]C[6]C)(C[5]C[5]H)(O[5]C[5])	C[6,6a](C[5,6]C[3,5,6]C[5,5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[3,5,6]C[3,5,6]C[6]O[3])(C[5,5,6]C[5,6]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(OH){1|C<4>,1|O<1>,2|H<1>,7|C<3>}	C[5,5,6](C[5,6]C[3,5,6]C[6,6a]O)(C[5,6]C[3,5,6]C[6]C)(C[5]C[5]H)(O[5]C[5]){1|H<1>,1|O<1>,1|O<2>,2|C<4>,4|C<3>}	C[6,6a](C[5,6]C[3,5,6]C[5,5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,2|O<2>,3|C<3>}	107.9810	0.000	1	107.9810	0.000	1	107.9810	0.000	1	107.9810	0.000	1	113.4379	5.828	22	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6,6]	C[6,6a]	4:3:2:1:	4:3:3:4:	4:3:3:	C[5,6,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[5,6]-4:C[6,6,6a]-3:N[5,6]-3:C-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6,6]C[6,6,6a]N[5,6]C)(C[6,6a]C[6,6a]C[6a])(O[5]C[5])(H)	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[6,6a](C[5,6]C[5,6,6]O[5]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6,6]C[6,6,6a]N[5,6]C)(C[6,6a]C[6,6a]C[6a])(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,4|C<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){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6,6]O[5]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	108.9230	0.000	1	108.9230	0.000	1	108.9230	0.000	1	108.9230	0.000	1	112.7960	6.115	14	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6,6]	C[6,6a]	4:3:2:1:	4:4:2:1:	4:3:3:	C[5,6,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:O[5,6]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6,6]C[6,6]O[5,6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5,6])(H)	C[5,6,6](C[5,6]C[6,6a]O[5]H)(C[6,6]C[6]2H)(O[5,6]C[5,6])(H)	C[6,6a](C[5,6]C[5,6,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[5,6](C[5,6,6]C[6,6]O[5,6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5,6])(H){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[5,6,6](C[5,6]C[6,6a]O[5]H)(C[6,6]C[6]2H)(O[5,6]C[5,6])(H){2|C<3>,2|H<1>,4|C<4>}	C[6,6a](C[5,6]C[5,6,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,2|H<1>,2|O<2>,4|C<4>}	114.9730	0.000	1	114.9730	0.000	1	114.9730	0.000	1	114.9730	0.000	1	112.7960	6.115	14	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6,6]	C[6,6a]	4:3:2:1:	4:4:4:1:	4:3:3:	C[5,6,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5,6])(H)	C[5,6,6](C[5,6]C[6,6a]O[5]H)(C[6,6]C[6]O[6]C)(C[5,6]C[5,6]CC)(H)	C[6,6a](C[5,6]C[5,6,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5,6])(H){1|H<1>,2|C<3>,2|O<2>,5|C<4>}	C[5,6,6](C[5,6]C[6,6a]O[5]H)(C[6,6]C[6]O[6]C)(C[5,6]C[5,6]CC)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[5,6]C[5,6,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|C<3>,3|C<4>,3|H<1>}	114.2495	0.829	2	114.2495	0.688	2	114.2495	0.688	2	114.2495	0.688	2	112.7960	6.115	14	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6,6]	C[6,6a]	4:3:2:1:	4:4:4:4:	3:4:3:	C[5,6,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[6,6a,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6,6a]C[6,6a,6a]C[6a])(O[5]C[5])(H)	C[5,6,6](C[5,6]C[6,6a]O[5]H)(C[6,6]C[6,6a]O[6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6,6]O[5]H)(C[6a]C[6a]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6,6a]C[6,6a,6a]C[6a])(O[5]C[5])(H){1|C<4>,1|O<2>,3|C<3>,8|H<1>}	C[5,6,6](C[5,6]C[6,6a]O[5]H)(C[6,6]C[6,6a]O[6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6,6]O[5]H)(C[6a]C[6a]H){1|H<1>,3|C<3>,4|C<4>}	116.4020	0.000	1	116.4020	0.000	1	116.4020	0.000	1	115.4185	1.935	2	112.7960	6.115	14	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6,6]	C[6,6a]	4:3:2:1:	4:4:4:4:	3:4:3:	C[5,6,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-4:	C[6a,6a]-3:C[5,6]-4:C[6,6a]-3:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6,6a]C[6a,6a]C[6,6a])(O[5]C[5])(H)	C[5,6,6](C[5,6]C[6,6a]O[5]H)(C[6,6]O[6]2H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6,6]O[5]H)(C[6,6a]C[6a]O[6])	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6,6a]C[6a,6a]C[6,6a])(O[5]C[5])(H){1|C<4>,2|O<2>,3|C<3>,7|H<1>}	C[5,6,6](C[5,6]C[6,6a]O[5]H)(C[6,6]O[6]2H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6,6]O[5]H)(C[6,6a]C[6a]O[6]){2|H<1>,3|C<3>,4|C<4>}	114.4350	0.000	1	114.4350	0.000	1	114.4350	0.000	1	115.4185	1.935	2	112.7960	6.115	14	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6,6]	C[6,6a]	4:3:3:1:	4:3:3:1:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6]-4:N[5,6]-3:C[6,6]-3:H-1:	C[5,6]-4:C[6,6a]-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[6,6a]C[6,6a]C[6a])(H)	C[5,6,6](C[5,6]C[5,6a]C[6,6a]H)(N[5,6]C[5,6a]C[6,6a])(C[6,6]C[6]2)(H)	C[6,6a](C[5,6]C[5,6,6]C[5,6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,2|H<1>,6|C<3>}	C[5,6,6](C[5,6]C[5,6a]C[6,6a]H)(N[5,6]C[5,6a]C[6,6a])(C[6,6]C[6]2)(H){2|H<1>,7|C<3>}	C[6,6a](C[5,6]C[5,6,6]C[5,6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	115.5540	0.000	1	115.5540	0.000	1	115.5540	0.000	1	115.5540	0.000	1	112.7960	6.115	14	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6,6]	C[6,6a]	4:3:3:1:	4:4:4:1:	4:3:3:	C[5,6,6]-4:C[6,6a]-3:C[5]-3:H-1:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6,6](C[5,6]C[6,6a]C[5]H)(C[6,6]C[6]O[6]C)(C[5,6]C[5,6]HH)(H)	C[6,6a](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]O)(H){2|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[5,6,6](C[5,6]C[6,6a]C[5]H)(C[6,6]C[6]O[6]C)(C[5,6]C[5,6]HH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	113.9020	0.000	1	113.9020	0.000	1	113.9020	0.000	1	113.9020	0.000	1	112.7960	6.115	14	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6,6]	C[6,6a]	4:3:3:2:	4:4:4:2:	4:3:3:	C[5,6,6]-4:C[6,6a]-3:C[5]-3:O-2:	C[5,6]-4:C[5,6]-4:C[6]-4:O[6]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6,6]C[5,6]C[6]O[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]C)(OSi)	C[5,6,6](C[5,6]C[6,6a]C[5]O)(C[5,6]C[5]C[6]O)(C[6]C[6]HH)(O[6]C[6])	C[6,6a](C[5,6]C[5,6,6]C[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6,6]C[5,6]C[6]O[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]C)(OSi){2|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[5,6,6](C[5,6]C[6,6a]C[5]O)(C[5,6]C[5]C[6]O)(C[6]C[6]HH)(O[6]C[6]){1|C<4>,1|O<1>,1|O<2>,3|C<3>,5|H<1>}	C[6,6a](C[5,6]C[5,6,6]C[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<3>,2|O<2>,3|C<4>}	109.4875	0.122	2	109.4875	0.015	2	109.4875	0.015	2	109.4875	0.015	2	112.7960	6.115	14	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6,6]	C[6,6a]	4:3:4:1:	4:4:3:1:	4:3:3:	C[5,6,6]-4:C[6,6a]-3:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:N[6,6]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6,6]C[5,6]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]CH)(H)	C[5,6,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(N[6,6]C[6]2)(H)	C[6,6a](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6,6]C[5,6]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]CH)(H){1|C<4>,4|C<3>,4|H<1>}	C[5,6,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(N[6,6]C[6]2)(H){1|O<1>,4|C<3>,6|H<1>}	C[6,6a](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	112.9660	0.235	2	112.9660	0.055	2	112.9660	0.055	2	112.3217	1.273	3	112.7960	6.115	14	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6,6]	C[6,6a]	4:3:4:1:	4:4:3:1:	4:3:3:	C[5,6,6]-4:C[6,6a]-3:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(H)	C[5,6,6](C[5,6]C[6,6a]C[5]H)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	C[6,6a](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(H){1|C<4>,3|C<3>,5|H<1>}	C[5,6,6](C[5,6]C[6,6a]C[5]H)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6,6a](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,3|C<4>,5|H<1>}	111.0330	0.000	1	111.0330	0.000	1	111.0330	0.000	1	112.3217	1.273	3	112.7960	6.115	14	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6,6]	C[6,6a]	4:3:4:4:	4:4:4:1:	4:3:3:	C[5,6,6]-4:C[6,6a]-3:C[5]-4:Si-4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:N[6,6a]-3:C[6a]-3:	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6a]N[6,6a]C[6a])(C[5]O[5]HH)(SiC[6a]CC)	C[5,6,6](C[5,6,6]C[6,6]O[5]C)(C[5,6]C[6,6a]C[5]Si)(C[6]C[6]HH)(H)	C[6,6a](C[5,6]C[5,6,6]C[5]Si)(N[6,6a]C[6,6]C[6a])(C[6a]C[6a,6a]H)	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6a]N[6,6a]C[6a])(C[5]O[5]HH)(SiC[6a]CC){2|C<4>,3|C<3>,3|H<1>}	C[5,6,6](C[5,6,6]C[6,6]O[5]C)(C[5,6]C[6,6a]C[5]Si)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6,6a](C[5,6]C[5,6,6]C[5]Si)(N[6,6a]C[6,6]C[6a])(C[6a]C[6a,6a]H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	110.5160	0.000	1	110.5160	0.000	1	110.5160	0.000	1	110.5160	0.000	1	112.7960	6.115	14	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:3:4:1:	4:3:1:1:	3:4:3:	C[6,6a]-3:C[5,6]-3:C[5,6]-4:H-1:	C[5,6]-4:N[5,6]-3:Br-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]N[5,6]BrH)(H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(N[5,6]C[5,6]S[6])(Br)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[5,6]C[5,6]2H)(C[6a]C[5,6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,6]N[5,6]BrH)(H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6a]C[5,6]H)(N[5,6]C[5,6]S[6])(Br)(H){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[5,6]C[5,6]2H)(C[6a]C[5,6a]H){1|Br<1>,1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>,2|O<1>}	108.6330	0.000	1	108.6330	0.000	1	108.6330	0.000	1	109.1173	0.176	3	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:3:4:1:	4:3:1:1:	3:4:3:	C[6,6a]-3:C[5,6]-3:C[5,6]-4:H-1:	C[5,6]-4:N[5,6]-3: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]N[5,6]HH)(H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(N[5,6]C[5,6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2H)(C[6a]C[5,6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,6]N[5,6]HH)(H){2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6a]C[5,6]H)(N[5,6]C[5,6]C[6])(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2H)(C[6a]C[5,6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,5|H<1>}	109.3595	0.019	2	109.3595	0.000	2	109.3595	0.000	2	109.1173	0.176	3	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:3:4:1:	4:3:4:1:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5]-3:C[6]-4: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]H)(H)	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]O)(C[6]C[6]HH)(H)	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	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]H)(H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]O)(C[6]C[6]HH)(H){2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){2|C<4>,4|C<3>,4|H<1>}	115.8210	0.000	1	115.8210	0.000	1	115.8210	0.000	1	113.3683	5.861	4	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:3:4:1:	4:3:4:1:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5a,6]-3:C[5]-4: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[5a,6]C[5]H)(H)	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5a,6]N[5a,6]C[5a])(C[5]C[5,6a]HH)(H)	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]N[5a,6]C[6a])(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[5a,6]C[5]H)(H){1|N<3>,4|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5a,6]N[5a,6]C[5a])(C[5]C[5,6a]HH)(H){7|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|H<1>,5|C<3>}	110.0260	0.000	1	110.0260	0.000	1	110.0260	0.000	1	113.3683	5.861	4	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:3:4:1:	4:3:4:1:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:N[5,6]-3:C[5]-4: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]N[5,6]C[5]H)(H)	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(N[5,6]C[5,6]C[5])(C[5]C[5,6a]HH)(H)	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[5,6]C[6a])(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]N[5,6]C[5]H)(H){2|C<4>,3|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(N[5,6]C[5,6]C[5])(C[5]C[5,6a]HH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	113.8130	0.000	2	113.8130	0.000	2	113.8130	0.000	2	113.3683	5.861	4	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:3:4:1:	4:4:1:1:	3:4:3:	C[6,6a]-3:C[5,6a]-3:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6a,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6,6]HH)(H)	C[5,6](C[5,6,6]C[6,6,6a]C[5,6a]C[6])(C[5,6]C[5,6a]C[6,6a]H)(H)2	C[6,6a](C[6,6a,6a]C[6,6,6a]C[3x6a])(C[5,6]C[5,6a]C[5,6]H)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6,6]HH)(H){2|H<1>,6|C<3>}	C[5,6](C[5,6,6]C[6,6,6a]C[5,6a]C[6])(C[5,6]C[5,6a]C[6,6a]H)(H)2{1|H<1>,6|C<3>}	C[6,6a](C[6,6a,6a]C[6,6,6a]C[3x6a])(C[5,6]C[5,6a]C[5,6]H)(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	111.3360	0.000	1	111.3360	0.000	1	111.3360	0.000	1	111.3360	0.000	1	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:3:4:1:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5,6]C[5,6a]N[6]C)(H)2	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5,6]C[5,6a]N[6]C)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	108.0080	0.000	1	108.0080	0.000	1	108.0080	0.000	1	108.0080	0.000	1	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:3:4:1:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:N[6]-3: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]N[6]H)(H)	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]CH)(N[6]C[6]S)(H)	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(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])(C[5,6]C[5]N[6]H)(H){1|S<4>,2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]CH)(N[6]C[6]S)(H){2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	115.4360	0.000	2	115.4360	0.000	2	113.7852	3.216	5	113.7852	3.216	5	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:3:4:1:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:N[6]-3: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]N[6]H)(H)	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]HH)(N[6]C[6]H)(H)	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(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])(C[5,6]C[5]N[6]H)(H){5|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]HH)(N[6]C[6]H)(H){1|O<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	114.2720	0.000	1	114.2720	0.000	1	113.7852	3.216	5	113.7852	3.216	5	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:3:4:1:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:N[6]-3: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]N[6]H)(H)	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]HH)(N[6]C[6]S)(H)	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(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])(C[5,6]C[5]N[6]H)(H){1|S<4>,2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]HH)(N[6]C[6]S)(H){2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	111.8910	0.000	2	111.8910	0.000	2	113.7852	3.216	5	113.7852	3.216	5	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:3:4:1:	4:4:4:1:	4:3:3:	C[5,5a]-3:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,5a]N[5,5a]C[5a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H)	C[5,6](C[5,6]C[5,5a]C[6,6a]H)(C[5]N[5,5a]HH)(C[6]N[6]CC)(H)	C[6,6a](C[5,6]C[5,5a]C[5,6]H)(C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	C[5,6](C[5,5a]N[5,5a]C[5a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H){1|Cl<1>,1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,5a]C[6,6a]H)(C[5]N[5,5a]HH)(C[6]N[6]CC)(H){1|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,5a]C[5,6]H)(C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	112.5005	0.104	2	112.5005	0.011	2	112.5005	0.011	2	112.1334	3.629	14	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:3:4:1:	4:4:4:1:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4: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[5,6]C[5]H)(H)	C[5,6](C[5,6]C[5,5,6]N[5,6]H)(C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]HH)(H)	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]N[5,6]C[6a])(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[5,6]C[5]H)(H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,5,6]N[5,6]H)(C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]HH)(H){1|H<1>,2|C<4>,5|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	113.6480	0.786	2	113.6480	0.618	2	113.6480	0.618	2	112.1334	3.629	14	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:3:4:1:	4:4:4:1:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4: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]H)(H)	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[6]C[6a]N[6]H)(C[5]C[5,6a]HH)(H)	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(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]H)(H){1|N<3>,5|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[6]C[6a]N[6]H)(C[5]C[5,6a]HH)(H){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	113.0040	0.000	1	113.0040	0.000	1	113.0040	0.000	1	112.1334	3.629	14	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:3:4:1:	4:4:4:1:	4:3:3:	C[6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4: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[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(H)	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]CH)(C[6]O[6]HH)(H)	C[6,6a](C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]CH)(C[6]O[6]HH)(H){1|C<4>,4|C<3>}	C[6,6a](C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|H<1>,3|C<4>}	113.1730	0.000	1	111.6015	2.814	4	111.4418	2.238	5	112.1334	3.629	14	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:3:4:1:	4:4:4:1:	4:3:3:	C[6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4: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[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(H)	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]CH)(C[6]O[6]HH)(H)	C[6,6a](C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(H){1|O<2>,2|C<4>,3|C<3>,7|H<1>}	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]CH)(C[6]O[6]HH)(H){1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|Br<1>,1|C<3>,1|H<1>,4|C<4>}	109.9730	0.000	1	111.6015	2.814	4	111.4418	2.238	5	112.1334	3.629	14	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:3:4:1:	4:4:4:1:	4:3:3:	C[6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4: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[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(H)	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]CH)(C[6]O[6]HH)(H)	C[6,6a](C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(H){1|O<2>,2|C<4>,5|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]CH)(C[6]O[6]HH)(H){2|C<4>,3|C<3>}	C[6,6a](C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|H<1>,4|C<4>}	112.9180	0.000	1	111.6015	2.814	4	111.4418	2.238	5	112.1334	3.629	14	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:3:4:1:	4:4:4:1:	4:3:3:	C[6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4: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[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(H)	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]CH)(C[6]O[6]HH)(H)	C[6,6a](C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(H){1|O<2>,3|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]CH)(C[6]O[6]HH)(H){1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|Br<1>,1|C<3>,1|H<1>,4|C<4>}	110.3420	0.000	1	111.6015	2.814	4	111.4418	2.238	5	112.1334	3.629	14	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:3:4:1:	4:4:4:1:	4:3:3:	C[6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4: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[5,5]C[5,6a]C[5,5])(C[5,6]C[5]C[6]H)(H)	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]CH)(C[6]O[6]HH)(H)	C[6,6a](C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(C[5,6]C[5]C[6]H)(H){1|C<4>,1|O<2>,5|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]CH)(C[6]O[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	110.8030	0.000	1	110.8030	0.000	1	111.4418	2.238	5	112.1334	3.629	14	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:3:4:1:	4:4:4:1:	4:3:3:	C[6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:S[6]-4: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[5,5]C[5,5]C[5])(C[5,6]C[5]S[6]H)(H)	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]C[6a]H)(S[6]N[6]OO)(H)	C[6,6a](C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a,6a]N[6])(C[6a]O[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]S[6]H)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|O<1>,4|H<1>}	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]C[6a]H)(S[6]N[6]OO)(H){1|H<1>,3|C<4>,4|C<3>}	C[6,6a](C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a,6a]N[6])(C[6a]O[6a]O){1|H<1>,1|S<4>,2|C<3>,4|C<4>}	116.5180	0.000	1	116.5180	0.000	1	116.5180	0.000	1	112.1334	3.629	14	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:3:4:1:	4:4:4:1:	4:3:3:	C[6,6a]-3:N[5,6]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4: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[5,6]C[6])(C[5,6]C[5]C[6]H)(H)	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]CH)(C[6]O[6]HH)(H)	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(H){1|C<4>,1|O<2>,4|C<3>,7|H<1>}	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]CH)(C[6]O[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|H<1>,4|C<4>}	110.1530	0.000	1	110.1790	0.001	2	110.2800	0.031	3	112.1334	3.629	14	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:3:4:1:	4:4:4:1:	4:3:3:	C[6,6a]-3:N[5,6]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4: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[5,6]C[6])(C[5,6]C[5]C[6]H)(H)	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]CH)(C[6]O[6]HH)(H)	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(H){1|C<4>,1|O<2>,5|C<3>,6|H<1>}	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]CH)(C[6]O[6]HH)(H){1|C<4>,4|C<3>}	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	110.2050	0.000	1	110.1790	0.001	2	110.2800	0.031	3	112.1334	3.629	14	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:3:4:1:	4:4:4:1:	4:3:3:	C[6,6a]-3:N[5,6]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4: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[5,6]C[6])(C[5,6]C[5]C[6]H)(H)	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]HH)(C[6]O[6]HH)(H)	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(H){1|C<4>,1|O<2>,3|C<3>,8|H<1>}	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]HH)(C[6]O[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,4|C<4>}	110.4820	0.000	1	110.4820	0.000	1	110.2800	0.031	3	112.1334	3.629	14	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:3:4:1:	4:4:4:3:	3:4:3:	C[6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[6a,6a]-3:C[5,6]-4:C[6,6a]-3:	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]C)(H)	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]C[6a]H)(C[6]O[6]HH)(COO)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a]O[6])	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]C)(H){1|C<4>,1|O<2>,1|S<2>,4|C<3>,6|H<1>}	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]C[6a]H)(C[6]O[6]HH)(COO){1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a]O[6]){2|H<1>,4|C<3>,4|C<4>}	111.2740	0.000	1	112.0060	0.653	3	112.0060	0.653	3	112.3222	0.416	6	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:3:4:1:	4:4:4:3:	3:4:3:	C[6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[6a,6a]-3:C[5,6]-4:C[6,6a]-3:	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]C)(H)	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]C[6a]H)(C[6]O[6]HH)(COO)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a]O[6])	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]C)(H){1|O<2>,2|C<4>,4|C<3>,6|H<1>}	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]C[6a]H)(C[6]O[6]HH)(COO){1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a]O[6]){2|H<1>,4|C<3>,4|C<4>}	112.3720	0.709	2	112.0060	0.653	3	112.0060	0.653	3	112.3222	0.416	6	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:3:4:1:	4:4:4:3:	3:4:3:	C[6,6a]-3:N[5,6]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[6a,6a]-3:C[5,6]-4:C[6,6a]-3:	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]C)(H)	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]C[6a]H)(C[6]O[6]HH)(COO)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]O[6])	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]C)(H){1|O<2>,2|C<4>,4|C<3>,6|H<1>}	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]C[6a]H)(C[6]O[6]HH)(COO){1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]O[6]){2|H<1>,4|C<3>,4|C<4>}	112.6383	0.295	3	112.6383	0.087	3	112.6383	0.087	3	112.3222	0.416	6	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:3:4:1:	4:4:4:3:	4:3:3:	C[6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]C)(H)	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]C[6a]H)(C[6]N[6]HH)(COO)	C[6,6a](C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]C)(H){1|N<3>,2|C<4>,3|C<3>,7|H<1>}	C[5,6](C[5,6]C[6,6a]N[5,5]H)(C[5]C[5,5]C[6a]H)(C[6]N[6]HH)(COO){1|H<1>,1|S<4>,2|C<4>,4|C<3>}	C[6,6a](C[5,6]C[5,6]N[5,5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>,4|C<4>}	113.6900	0.000	1	113.6900	0.000	1	113.6900	0.000	1	113.6900	0.000	1	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:3:4:3:	4:3:4:1:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[5]-3:C[6]-4: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]H)(C[6a]C[6a]2)	C[5,6](C[5,6]C[5,6a]C[6,6a]C[6a])(C[5]C[5,6a]O)(C[6]C[6]HH)(H)	C[6,6a](C[5,6]C[5,6a]C[5,6]C[6a])(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])(C[5,6]C[5]C[6]H)(C[6a]C[6a]2){1|C<4>,1|O<1>,6|C<3>,6|H<1>}	C[5,6](C[5,6]C[5,6a]C[6,6a]C[6a])(C[5]C[5,6a]O)(C[6]C[6]HH)(H){2|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5,6]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,5|H<1>,6|C<3>}	113.0253	1.059	3	113.0253	1.121	3	113.0253	1.121	3	113.0253	1.121	3	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:3:4:4:	4:2:3:2:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:C-4:	C[5,6]-4:O[5]-2:C[6]-3:O-2:	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[5,6](C[5,6]C[5,6a]C[6,6a]C)(O[5]C[5,6a])(C[6]N[6]C)(OH)	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[5,6](C[5,6]C[5,6a]C[6,6a]C)(O[5]C[5,6a])(C[6]N[6]C)(OH){4|C<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>}	110.8370	0.000	1	110.8370	0.000	1	110.8370	0.000	1	110.8370	0.000	1	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:3:4:4:	4:3:4:1:	3:4:3:	C[6,6a]-3:C[5,6]-3:C[5,6]-4:C-4:	C[5,6]-4:C[5]-3:C[6]-4: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[5,6](C[5,6]C[6,6a]C[5,6]C)(C[5]C[5,6]O)(C[6]O[6]HH)(H)	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[5,6](C[5,6]C[6,6a]C[5,6]C)(C[5]C[5,6]O)(C[6]O[6]HH)(H){2|C<3>,2|C<4>}	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>}	111.5760	0.000	1	111.5760	0.000	1	111.5760	0.000	1	111.5760	0.000	1	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:3:4:4:	4:4:3:4:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:C-4:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	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[5,6](C[5,6]C[5,6a]C[6,6a]C)(C[5]C[5,6a]HH)(C[6]N[6]O)(CH3)	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[5,6](C[5,6]C[5,6a]C[6,6a]C)(C[5]C[5,6a]HH)(C[6]N[6]O)(CH3){1|C<4>,4|C<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){2|H<1>,3|C<4>,4|C<3>}	109.8110	0.368	2	109.8110	0.135	2	109.8110	0.135	2	109.8110	0.135	2	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:3:4:4:	4:4:4:1:	4:3:3:	C[5,5a]-3:C[6,6a]-3:C[5,6]-4:C-4:	C[5,6]-4:C[5]-4:C[6]-4: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[5,6](C[5,6]C[5,5a]C[6,6a]C)(C[5]C[5,5a]HH)(C[6]O[6]HH)(H)	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[5,6](C[5,6]C[5,5a]C[6,6a]C)(C[5]C[5,5a]HH)(C[6]O[6]HH)(H){1|N<3>,3|C<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>}	110.8490	0.000	1	110.8490	0.000	1	110.8490	0.000	1	110.8490	0.000	1	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:2:1:	3:4:3:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3: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]H)(O[5]C[5,6a])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5]H)(C[6]C[6]H)(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(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]H)(O[5]C[5,6a])(H){2|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5]H)(C[6]C[6]H)(H){2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){4|C<3>,4|H<1>}	115.9940	0.000	1	115.9940	0.000	1	115.9940	0.000	1	115.9940	0.000	1	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:2:1:	3:4:4:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4: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]H)(O[5]C[5,6a])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5]H)(C[6]O[6]HH)(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(H){1|O<2>,3|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5]H)(C[6]O[6]HH)(H){1|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	113.4397	0.769	3	113.5007	0.543	6	113.5007	0.543	6	113.5007	0.543	6	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:2:1:	3:4:4:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4: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]H)(O[5]C[5,6a])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5]H)(C[6]O[6]HH)(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(H){1|O<2>,3|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5]H)(C[6]O[6]HH)(H){1|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	113.5617	0.869	3	113.5007	0.543	6	113.5007	0.543	6	113.5007	0.543	6	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:2:1:	4:3:3:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-3:C[6]-3: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)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]C)(C[6]C[6]H)(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|C<4>,1|H<1>,5|C<3>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]C)(C[6]C[6]H)(H){1|H<1>,3|C<3>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){1|Br<1>,1|C<4>,2|H<1>,4|C<3>}	118.5690	0.000	1	118.5690	0.000	1	118.5690	0.000	1	113.6417	18.209	3	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:2:1:	4:3:3:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:N[5]-3: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]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6]H)(N[5]C[5]H)(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(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[6]N[5]H)(O[5]C[5])(H){1|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6]H)(N[5]C[5]H)(H){1|H<1>,1|O<1>,2|C<3>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	111.1780	0.020	2	111.1780	0.000	2	111.1780	0.000	2	113.6417	18.209	3	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:2:1:	4:4:1:1:	3:4:3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,5,6,6]-4:C[5,6]-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[5,5,6,6]HH)(O[5]C[5,5,6])(H)	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[6,6a]O[5]H)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[5,6]C[5,6]O[5]H)(C[6a]C[6a]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6,6]HH)(O[5]C[5,5,6])(H){2|C<3>,5|C<4>}	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[6,6a]O[5]H)(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[5,6]C[5,6]O[5]H)(C[6a]C[6a]C){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	108.2000	0.000	1	108.2000	0.000	1	108.2000	0.000	1	108.2000	0.000	1	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:2:1:	4:4:1:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-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)(O[5]C[5])(H)	C[5,6](C[5,6]C[6a]C[5]O[6])(C[5,6]C[6,6a]O[5]H)(H)2	C[6,6a](C[5,6]C[5,6]O[5]H)(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[5,6]HH)(O[5]C[5])(H){1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6a]C[5]O[6])(C[5,6]C[6,6a]O[5]H)(H)2{2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	108.2350	0.000	1	108.2350	0.000	1	108.2350	0.000	1	108.2350	0.000	1	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:2:1:	4:4:2:1:	4:3:2:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2: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[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	114.3653	0.543	4	114.3653	0.294	4	114.3653	0.294	4	114.3653	0.294	4	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:2:1:	4:4:2:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2: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]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]H)(O[5]C[5])(H){1|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,2|C<4>,3|O<2>}	114.2870	0.000	1	114.5850	0.178	2	114.5850	0.178	2	115.1323	0.988	3	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:2:1:	4:4:2:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2: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]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]H)(O[5]C[5])(H){3|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	114.8830	0.000	1	114.5850	0.178	2	114.5850	0.178	2	115.1323	0.988	3	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:2:1:	4:4:2:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2: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]O[5]H)(O[5]B[5])(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6]HH)(O[5]B[5])(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(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]O[5]H)(O[5]B[5])(H){3|H<1>,4|C<3>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6]HH)(O[5]B[5])(H){1|O<1>,3|C<3>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|B<3>,1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	116.2270	0.000	1	116.2270	0.000	1	116.2270	0.000	1	115.1323	0.988	3	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:2:1:	4:4:3:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[6a]-3: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]C[6a]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(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]C[6a]H)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	109.4650	0.000	1	109.4650	0.000	1	109.4650	0.000	1	113.0320	10.216	3	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:2:1:	4:4:3:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:N[6]-3: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]N[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(N[6]C[6]H)(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(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]N[6]H)(O[5]C[5])(H){3|C<3>,6|H<1>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(N[6]C[6]H)(H){1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	113.9950	0.000	1	113.9950	0.000	1	113.9950	0.000	1	113.0320	10.216	3	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:2:1:	4:4:3:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:N[5]-3: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]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(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]H)(O[5]C[5])(H){1|S<4>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6]HH)(N[5]C[5]S)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	115.6360	0.000	1	115.6360	0.000	1	115.6360	0.000	1	113.0320	10.216	3	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:2:1:	4:4:4:1:	3:4:3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4: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]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]C[6]FF)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[5,6]C[5,6]O[5]H)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){2|F<1>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]C[6]FF)(H){1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[5,6]C[5,6]O[5]H)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	117.3070	0.000	1	117.3070	0.000	1	117.3070	0.000	1	115.0229	1.891	9	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:2:1:	4:4:4:1:	3:4:3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[6,6a]C[6,6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]N[6,6]HH)(C[5]C[5]HH)(H)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[5,6]C[5,6]O[5]H)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|N<3>,2|C<3>,7|H<1>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]N[6,6]HH)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[5,6]C[5,6]O[5]H)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>,5|C<4>}	114.8575	0.808	2	114.8575	0.653	2	114.8575	0.653	2	115.0229	1.891	9	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:2:1:	4:4:4:1:	3:4:3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6a,6a]-3:C[5,6]-4:C[6,6a]-3:	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[5a]N[6]H)(C[5]C[5]HH)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|N<3>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[5a]N[6]H)(C[5]C[5]HH)(H){1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6]){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	112.4370	0.000	1	112.4370	0.000	1	114.6973	1.713	6	115.0229	1.891	9	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:2:1:	4:4:4:1:	3:4:3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6a,6a]-3:C[5,6]-4:C[6,6a]-3:	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|N<3>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H){3|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6]){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	114.4230	0.812	2	115.1494	0.609	5	114.6973	1.713	6	115.0229	1.891	9	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:2:1:	4:4:4:1:	3:4:3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6a,6a]-3:C[5,6]-4:C[6,6a]-3:	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|N<3>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H){3|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6]){3|C<3>,3|C<4>,4|H<1>}	115.6337	0.094	3	115.1494	0.609	5	114.6973	1.713	6	115.0229	1.891	9	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:2:1:	4:4:4:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C-4: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]CH)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]C[6]H)(CFHH)(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(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[5,6]CH)(O[5]C[5])(H){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]C[6]H)(CFHH)(H){3|C<3>,3|H<1>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	111.8760	0.000	1	111.8760	0.000	1	111.8760	0.000	1	114.3485	3.630	22	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:2:1:	4:4:4:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4: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)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(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)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	116.4080	0.000	1	116.4080	0.000	1	115.0049	4.724	10	114.3485	3.630	22	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:2:1:	4:4:4:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4: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)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(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)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|C<4>,4|H<1>}	116.3690	0.000	1	116.5600	0.069	3	115.0049	4.724	10	114.3485	3.630	22	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:2:1:	4:4:4:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4: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)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(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)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Cl<1>,2|C<3>,2|C<4>,4|H<1>}	116.4520	0.000	1	116.5600	0.069	3	115.0049	4.724	10	114.3485	3.630	22	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:2:1:	4:4:4:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4: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)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(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)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	116.8590	0.000	1	116.5600	0.069	3	115.0049	4.724	10	114.3485	3.630	22	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:2:1:	4:4:4:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4: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)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]N[6]CH)(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|N<3>,3|C<3>,6|H<1>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]N[6]CH)(H){2|C<3>,3|H<1>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,3|C<4>,3|H<1>}	113.5530	0.000	1	113.5530	0.000	1	115.0049	4.724	10	114.3485	3.630	22	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:2:1:	4:4:4:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4: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)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]N[6]HH)(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|N<3>,2|C<3>,7|H<1>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]N[6]HH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|H<1>,4|C<4>}	114.7200	0.000	1	115.2935	0.658	2	115.0049	4.724	10	114.3485	3.630	22	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:2:1:	4:4:4:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4: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)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]N[6]HH)(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|N<3>,2|C<3>,7|H<1>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]N[6]HH)(H){1|S<4>,2|C<3>,2|H<1>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|S<4>,3|C<4>,3|H<1>}	115.8670	0.000	1	115.2935	0.658	2	115.0049	4.724	10	114.3485	3.630	22	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:2:1:	4:4:4:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4: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)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]O[6]CC)(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(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)(O[5]C[5])(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(C[6]O[6]CC)(H){1|H<1>,3|C<3>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	109.5310	0.000	1	109.5310	0.000	1	115.0049	4.724	10	114.3485	3.630	22	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:2:1:	4:4:4:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4: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)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(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)(O[5]C[5])(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Cl<1>,2|C<3>,2|C<4>,4|H<1>}	115.1450	0.471	2	115.1450	0.222	2	115.0049	4.724	10	114.3485	3.630	22	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:2:1:	4:4:4:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4: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)(O[5]C[5,5])(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6a]O[6]H)(C[5]C[5,5]HH)(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(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)(O[5]C[5,5])(H){1|O<2>,4|H<1>,5|C<3>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6a]O[6]H)(C[5]C[5,5]HH)(H){6|C<3>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	115.1410	0.000	1	115.1410	0.000	1	113.9765	2.176	11	114.3485	3.630	22	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:2:1:	4:4:4:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4: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)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|Cl<1>,1|N<3>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H){3|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl){1|C<3>,1|F<1>,3|C<4>,3|H<1>}	115.0455	0.487	2	115.0455	0.237	2	113.9765	2.176	11	114.3485	3.630	22	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:2:1:	4:4:4:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4: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)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|N<3>,3|C<3>,6|H<1>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H){3|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|F<1>,3|C<4>,3|H<1>}	113.2880	0.000	1	113.5637	2.360	8	113.9765	2.176	11	114.3485	3.630	22	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:2:1:	4:4:4:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4: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)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|N<3>,3|C<3>,6|H<1>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H){3|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	113.5437	1.738	3	113.5637	2.360	8	113.9765	2.176	11	114.3485	3.630	22	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:2:1:	4:4:4:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4: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)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|N<3>,3|C<3>,6|H<1>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H){3|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	113.6478	1.859	4	113.5637	2.360	8	113.9765	2.176	11	114.3485	3.630	22	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:2:1:	4:4:4:2:	4:3:3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C-4:O-2:	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]CO)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]C[6]H)(CHHO)(OC)	C[6,6a](C[5,6]C[5,6]O[5]H)(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]CO)(O[5]C[5])(H){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]C[6]H)(CHHO)(OC){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<3>,2|O<2>,3|C<4>}	110.7290	0.000	1	110.7290	0.000	1	110.7290	0.000	1	110.7290	0.000	1	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:2:1:	4:4:4:4:	3:4:3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	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]C[6]C)(O[5]C[5])(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[5,6]C[5,6]O[5]H)(C[6a]C[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(O[5]C[5])(H){1|C<4>,2|C<3>,2|O<2>,5|H<1>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[5,6]C[5,6]O[5]H)(C[6a]C[6a]O){1|C<3>,3|H<1>,5|C<4>}	116.1540	0.519	2	116.1540	0.269	2	116.1540	0.269	2	116.1540	0.269	2	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:2:2:	3:4:2:2:	3:4:3:	C[6,6a]-3:C[5,6]-4:N[5]-2:N[5]-2:	C[6,6a]-3:C[5,6]-4:N[5]-2:N[5]-2:	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[6,6a]N[5]2)(N[5]C[5])2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]N[5]2)(N[5]C[5])2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]2)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]N[5]2)(N[5]C[5])2{1|H<1>,8|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]N[5]2)(N[5]C[5])2{1|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]2)(C[6a]C[6a]H){2|H<1>,2|N<2>,5|C<3>}	107.7367	0.682	3	107.7367	0.465	3	107.7848	0.319	4	107.7848	0.319	4	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:2:2:	3:4:2:2:	3:4:3:	C[6,6a]-3:C[5,6]-4:N[5]-2:N[5]-2:	C[6,6a]-3:C[5,6]-4:N[5]-2:N[5]-2:	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[6,6a]N[5]2)(N[5]C[5])2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]N[5]2)(N[5]C[5])2	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]N[5]2)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]N[5]2)(N[5]C[5])2{1|H<1>,8|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]N[5]2)(N[5]C[5])2{1|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]N[5]2)(C[6a]C[6a]H){1|H<1>,2|N<2>,6|C<3>}	107.9290	0.000	1	107.9290	0.000	1	107.7848	0.319	4	107.7848	0.319	4	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:2:2:	4:4:4:2:	3:4:3:	C[6,6a]-3:C[5,6]-4:O[5]-2:O-2:	C[3,6]-4:C[5,6]-4:C[5]-4:O-2:	C[5,6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[3,6]C[5]O)(O[5]C[5])(OH)	C[5,6](C[3,6]C[3,5,6]C[3]H)(C[5,6]C[6,6a]O[5]O)(C[5]C[5]CC)(OH)	C[6,6a](C[5,6,6a]C[3,5,6]C[5,6a])(C[5,6]C[5,6]O[5]O)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[3,6]C[5]O)(O[5]C[5])(OH){3|C<3>,3|C<4>,4|H<1>}	C[5,6](C[3,6]C[3,5,6]C[3]H)(C[5,6]C[6,6a]O[5]O)(C[5]C[5]CC)(OH){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[5,6,6a]C[3,5,6]C[5,6a])(C[5,6]C[5,6]O[5]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,4|C<4>}	115.0500	0.000	1	115.0500	0.000	1	115.0500	0.000	1	115.0500	0.000	1	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:2:3:	3:4:4:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:O[5]-2:N-3:	C[5,6a]-3:C[5,6]-4:C[6]-4: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]H)(O[5]C[5,6a])(NCH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5]N)(C[6]C[6]HH)(H)	C[6,6a](C[5,6]C[5,6]O[5]N)(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]H)(O[5]C[5,6a])(NCH){1|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5]N)(C[6]C[6]HH)(H){3|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]O[5]N)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	115.2720	0.000	1	115.2720	0.000	1	115.2720	0.000	1	115.2720	0.000	1	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:2:4:	3:4:3:3:	4:3:3:	C[6,6a]-3:C[5,6]-4:O[5]-2:C-4:	C[5,6a]-3:C[5,6]-4:N[6]-3:C-3:	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5]C)(N[6]C[6]C)(CNO)	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5]C)(N[6]C[6]C)(CNO){1|H<1>,1|O<1>,4|C<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>}	115.8740	0.000	1	115.8740	0.000	1	115.8740	0.000	1	115.8740	0.000	1	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:2:4:	4:3:2:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:N[5]-2:C-4:	C[5,6]-4:C[6]-3:S[5]-2: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[5,6](C[5,6]C[6,6a]N[5]C)(C[6]N[6]O)(S[5]C[5])(H)	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[5,6](C[5,6]C[6,6a]N[5]C)(C[6]N[6]O)(S[5]C[5])(H){1|C<4>,1|H<1>,2|C<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>}	111.6525	0.330	2	111.6525	0.109	2	111.6525	0.109	2	111.6525	0.109	2	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:2:4:	4:4:3:3:	4:3:3:	C[6,6a]-3:C[5,6]-4:O[5]-2:C-4:	C[5,6]-4:C[5,6]-4:C-3:C-3:	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[5,6](C[5,6]C[6,6a]O[5]C)(C[5,6]C[5]N[6]H)(COO)2	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[5,6](C[5,6]C[6,6a]O[5]C)(C[5,6]C[5]N[6]H)(COO)2{1|H<1>,1|O<1>,2|C<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>}	108.7920	0.000	1	108.7920	0.000	1	108.7920	0.000	1	108.7920	0.000	1	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:2:4:	4:4:4:1:	3:4:3:	C[6,6a]-3:C[5,6]-4:O[5]-2:C-4:	C[5,6]-4:C[5,6]-4:C[5]-4: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[5,6](C[5,6]C[5,6a]N[5,6]H)(C[5,6]C[6,6a]O[5]C)(C[5]C[5]HH)(H)	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[5,6](C[5,6]C[5,6a]N[5,6]H)(C[5,6]C[6,6a]O[5]C)(C[5]C[5]HH)(H){2|H<1>,5|C<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>}	112.0140	0.000	1	112.0140	0.000	1	112.0140	0.000	1	112.0140	0.000	1	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:2:4:	4:4:4:1:	4:3:2:	C[6,6a]-3:C[5,6]-4:O[5]-2:C-4:	C[5,6]-4:C[5]-4:C[6]-4: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[5,6](C[5,6]C[6,6a]O[5]C)(C[5]C[5]HH)(C[6]C[6]CC)(H)	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[5,6](C[5,6]C[6,6a]O[5]C)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>}	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>}	115.2870	0.148	2	115.2870	0.022	2	115.2870	0.022	2	115.2870	0.022	2	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:2:4:	4:4:4:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:N[5]-2:C-4:	C[5,6]-4:C[5]-4:C[6]-4: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[5,6](C[5,6]C[6,6a]N[5]C)(C[5]C[6a]C[5]H)(C[6]O[6]HH)(H)	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[5,6](C[5,6]C[6,6a]N[5]C)(C[5]C[6a]C[5]H)(C[6]O[6]HH)(H){5|C<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>}	110.2820	0.000	1	110.2820	0.000	1	110.2820	0.000	1	110.2820	0.000	1	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:1:	3:4:4:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4: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]H)(N[5]C[5,6a]C)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5]H)(C[6]C[6]HH)(H)	C[6,6a](C[5,6]C[5,6]N[5]H)(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]H)(N[5]C[5,6a]C)(H){1|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5]H)(C[6]C[6]HH)(H){3|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,5|H<1>}	112.8190	0.000	1	112.8190	0.000	1	112.8190	0.000	1	112.8190	0.000	1	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:1:	4:3:1:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:N[5,6]-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]N[5,6]HH)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(N[5,6]C[5]S[6])(H)2	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]HH)(C[5]C[5]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(N[5,6]C[5]S[6])(H)2{1|C<4>,1|H<1>,2|C<3>,2|O<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|O<1>,5|H<1>}	109.6990	0.000	1	109.6990	0.000	1	109.6990	0.000	1	109.6990	0.000	1	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:1:	4:3:2:1:	3:4:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:N[5,6]-3:O[5]-2: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]N[5,6]O[5]H)(C[5]C[6a]N[5])(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(N[5,6]C[5,6]C[5])(O[5]N[5])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]O[5]H)(C[5]C[6a]N[5])(H){1|H<1>,2|C<4>,4|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(N[5,6]C[5,6]C[5])(O[5]N[5])(H){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	114.6795	0.612	6	114.6656	0.313	7	114.6656	0.313	7	114.6656	0.313	7	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:1:	4:3:2:1:	3:4:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:N[5,6]-3:O[5]-2: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]N[5,6]O[5]H)(C[5]C[6a]N[5])(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(N[5,6]C[5,6]C[5])(O[5]N[5])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]O[5]H)(C[5]C[6a]N[5])(H){1|H<1>,2|C<4>,4|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(N[5,6]C[5,6]C[5])(O[5]N[5])(H){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	114.5820	0.000	1	114.6656	0.313	7	114.6656	0.313	7	114.6656	0.313	7	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:1:	4:3:3:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6]-3: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]H)(N[5]C[5,6a]S)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6a]C[5,6a]2)(C[6]C[6]H)(H)	C[6,6a](C[5,6]C[5,6]N[5]H)(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]H)(N[5]C[5,6a]S)(H){2|H<1>,5|C<3>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6a]C[5,6a]2)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<4>,4|C<3>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|S<4>,4|C<3>,4|H<1>}	114.8990	0.000	1	114.8990	0.000	1	114.8990	0.000	1	114.8990	0.000	1	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:1:	4:4:1:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-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]H)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]C)(H)2	C[6,6a](C[5,6]C[5,6]C[5]H)(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]C[5]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]C)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	108.3330	0.000	1	108.3330	0.000	1	108.7535	0.354	2	107.8607	2.461	4	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:1:	4:4:1:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-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]O[5]O)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[6]O[5]C)(H)2	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]O[5]O)(H){1|O<2>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[6]O[5]C)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,1|C<4>,1|O<1>,2|O<2>,5|H<1>}	109.1740	0.000	1	109.1740	0.000	1	108.7535	0.354	2	107.8607	2.461	4	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:1:	4:4:1:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5,6]-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)(N[5]C[5]S)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]C[5]O[6]H)(H)2	C[6,6a](C[5,6]C[5,6]N[5]H)(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[5,6]HH)(N[5]C[5]S)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]C[5]O[6]H)(H)2{1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|S<4>,2|C<4>,3|H<1>}	105.5820	0.000	1	105.5820	0.000	1	106.9680	3.842	2	107.8607	2.461	4	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:1:	4:4:1:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5,6]-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)(N[5]O[5]C)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]C[6]O[5]H)(H)2	C[6,6a](C[5,6]C[5,6]N[5]H)(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)(N[5]O[5]C)(H){2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]C[6]O[5]H)(H)2{1|C<4>,3|C<3>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	108.3540	0.000	1	108.3540	0.000	1	106.9680	3.842	2	107.8607	2.461	4	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:1:	4:4:2:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:O-2: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]HO)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[6]O[5]C)(OH)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HO)(C[5]O[5]O)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[6]O[5]C)(OH)(H){1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O){1|C<4>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	109.6670	0.000	1	109.6670	0.000	1	109.6670	0.000	1	109.6670	0.000	1	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:1:	4:4:2:2:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:N-2:	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]O[5]N)(C[5]C[5]C)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]O[6]H)(O[5]C[5])(NC)	C[6,6a](C[5,6]C[5,6]C[5]H)(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[6]O[5]N)(C[5]C[5]C)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]O[6]H)(O[5]C[5])(NC){1|C<2>,1|C<4>,4|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<2>,1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	113.3220	0.000	1	113.3220	0.000	1	113.3220	0.000	1	113.3220	0.000	1	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:1:	4:4:3:1:	3:4:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3: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)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]N[5,6]C[5]H)(C[5]N[5]O)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]C[5]H)(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)(C[5]N[5]O)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]N[5,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	114.9845	1.293	2	114.9845	1.673	2	114.9845	1.673	2	115.0632	0.578	4	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:1:	4:4:3:1:	3:4:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3: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[6,6]C[5]H)(C[5]N[5]O)(H)	C[5,6](C[6,6]C[6,6a]N[6,6]H)(C[5,6]C[6,6a]C[5]H)(C[5]N[5]O)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[5]N[5]O)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[6,6]C[6,6a]N[6,6]H)(C[5,6]C[6,6a]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,5|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H){1|F<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	115.2760	0.000	1	115.1420	0.036	2	115.1420	0.036	2	115.0632	0.578	4	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:1:	4:4:3:1:	3:4:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3: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[6,6]C[5]H)(C[5]N[5]O)(H)	C[5,6](C[6,6]C[6,6a]N[6,6]H)(C[5,6]C[6,6a]C[5]H)(C[5]N[5]O)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[5]N[5]O)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[6,6]C[6,6a]N[6,6]H)(C[5,6]C[6,6a]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,5|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	115.0080	0.000	1	115.1420	0.036	2	115.1420	0.036	2	115.0632	0.578	4	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:1:	4:4:3:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6a]-3: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]C[6a]H)(C[5]C[5]O)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(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]C[6a]H)(C[5]C[5]O)(H){1|Cl<1>,1|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(H){1|Cl<1>,1|O<1>,4|C<3>,5|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	109.2380	0.000	1	109.2380	0.000	1	109.2380	0.000	1	113.2576	5.435	17	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:1:	4:4:3:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3: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]N[5]O)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]N[6]HH)(C[5]N[5]O)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]N[6]HH)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	114.8623	0.188	3	114.2578	0.707	5	114.9346	1.807	7	113.2576	5.435	17	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:1:	4:4:3:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3: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]N[5]O)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]N[6]HH)(C[5]N[5]O)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]N[6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,3|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Br<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	113.2630	0.000	1	114.2578	0.707	5	114.9346	1.807	7	113.2576	5.435	17	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:1:	4:4:3:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3: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]N[5]O)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]N[6]HH)(C[5]N[5]O)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]N[6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,3|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	113.4390	0.000	1	114.2578	0.707	5	114.9346	1.807	7	113.2576	5.435	17	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:1:	4:4:3:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3: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]O[5]O)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(C[5]O[5]O)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(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]O[5]O)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(C[5]O[5]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	116.6265	0.015	2	116.6265	0.000	2	114.9346	1.807	7	113.2576	5.435	17	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:1:	4:4:3:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:N[5]-3: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]H)(C[5]C[5]C)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(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]H)(C[5]C[5]C)(H){2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H){3|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	111.9040	0.000	1	111.9040	0.000	1	111.9040	0.000	1	113.2576	5.435	17	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:1:	4:4:3:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C-3: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]CH)(N[5]O[5]C)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]O[5]O[6]C)(COO)(H)	C[6,6a](C[5,6]C[5,6]N[5]H)(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[5,6]CH)(N[5]O[5]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]O[5]O[6]C)(COO)(H){1|C<4>,2|C<3>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Cl<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	108.2990	0.000	1	108.2990	0.000	1	108.2990	0.000	1	113.2576	5.435	17	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:1:	4:4:3:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3: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]C)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H){4|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	112.9380	0.000	1	112.9380	0.000	1	112.3374	0.900	5	113.2576	5.435	17	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:1:	4:4:3:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3: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]C)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]N[6]O)(H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H){1|N<3>,2|C<3>,2|O<1>,3|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]N[6]O)(H){1|C<4>,1|O<1>,3|C<3>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Br<1>,2|C<4>,2|H<1>,4|C<3>}	112.8690	0.000	1	112.8690	0.000	1	112.3374	0.900	5	113.2576	5.435	17	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:1:	4:4:3:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3: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]H)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]N[6]O)(H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]H)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]N[6]O)(H){1|H<1>,1|S<4>,6|C<3>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,4|H<1>}	112.8830	0.000	1	112.5865	0.176	2	112.3374	0.900	5	113.2576	5.435	17	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:1:	4:4:3:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3: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]H)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]N[6]O)(H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]H)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]N[6]O)(H){2|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	112.2900	0.000	1	112.5865	0.176	2	112.3374	0.900	5	113.2576	5.435	17	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:1:	4:4:3:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3: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]H)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]O[6]O)(H)	C[6,6a](C[5,6]C[5,6]N[5]H)(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]H)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]O[6]O)(H){1|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	110.7070	0.000	1	110.7070	0.000	1	112.3374	0.900	5	113.2576	5.435	17	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:1:	4:4:3:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:N[5]-3: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]H)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[6]N[6]HH)(N[5]C[5]C)(H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[6]N[6]HH)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|C<4>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	114.8545	0.955	2	114.8545	0.913	2	114.8545	0.913	2	113.2576	5.435	17	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:1:	4:4:3:3:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	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]O[5]O)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]C[6]H)(C[5]O[5]O)(COO)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]O[5]O)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]C[6]H)(C[5]O[5]O)(COO){1|O<1>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	115.4890	0.000	1	115.4890	0.000	1	115.4890	0.000	1	113.9803	4.216	3	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:1:	4:4:3:3:	4:3:3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	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)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]N[6]O)(COO)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H){1|N<3>,2|C<3>,2|O<1>,3|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]N[6]O)(COO){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	114.8100	0.000	1	114.8100	0.000	1	114.8100	0.000	1	113.9803	4.216	3	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:1:	4:4:3:3:	4:3:3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:N-3:	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]N)(N[5]C[5]H)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]O[6]O)(NCH)	C[6,6a](C[5,6]C[5,6]N[5]H)(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]N)(N[5]C[5]H)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]O[6]O)(NCH){1|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	111.6420	0.000	1	111.6420	0.000	1	111.6420	0.000	1	113.9803	4.216	3	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:1:	4:4:3:4:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6,6a]-3:H-1:	C[5,6]-4:P[5]-4:C[6a]-3:C[6]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6a]C[6]P[5])(C[6,6a]C[6,6a]C[6a])(H)	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(P[5]C[5,6a]C[6a]O)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6a]C[6]P[5])(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|O<1>,3|H<1>,8|C<3>}	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(P[5]C[5,6a]C[6a]O)(C[6a]C[6a]2)(C[6]C[6]HH){4|H<1>,8|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|P<4>,4|C<3>,4|H<1>}	114.0220	0.368	2	114.0220	0.135	2	114.0220	0.135	2	113.0330	1.390	4	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:1:	4:4:3:4:	4:3:3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	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)(N[5]C[5,5]H)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5,5]C[6a]H)(C[6]O[6]O)(CCHH)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[5,5]H)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5,5]C[6a]H)(C[6]O[6]O)(CCHH){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	112.0440	0.349	2	112.0440	0.122	2	112.0440	0.122	2	113.0330	1.390	4	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:1:	4:4:4:1:	3:4:3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4: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)(N[5]C[5]H)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]N[5,6]C[5]H)(C[5]C[5]HH)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]N[5]H)(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)(N[5]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]N[5,6]C[5]H)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]N[5]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	118.1880	0.000	1	116.7115	4.360	2	113.3427	2.994	13	113.3002	2.608	15	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:1:	4:4:4:1:	3:4:3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4: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)(N[5]C[5]H)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]N[5,6]C[5]H)(C[5]C[5]HH)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]N[5]H)(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)(N[5]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]N[5,6]C[5]H)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]N[5]H)(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	115.2350	0.000	1	116.7115	4.360	2	113.3427	2.994	13	113.3002	2.608	15	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:1:	4:4:4:1:	3:4:3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4: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)(N[5]C[5]S)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]N[5,6]C[5]H)(C[5]C[5]HH)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]N[5]H)(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)(N[5]C[5]S)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]N[5,6]C[5]H)(C[5]C[5]HH)(H){1|S<4>,2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]N[5]H)(C[6a]C[6a]H){1|C<3>,1|F<1>,1|S<4>,2|H<1>,4|C<4>}	112.8590	0.000	1	112.8590	0.000	1	113.3427	2.994	13	113.3002	2.608	15	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:1:	4:4:4:1:	3:4:3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4: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)(N[5]C[6a]C[5])(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]N[5,6]C[5]H)(C[5]C[5]HH)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]N[5]H)(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)(N[5]C[6a]C[5])(H){1|C<4>,1|N<3>,4|C<3>,6|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]N[5,6]C[5]H)(C[5]C[5]HH)(H){2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]N[5]H)(C[6a]C[6a]H){1|I<1>,2|C<3>,2|H<1>,4|C<4>}	112.1470	0.000	1	112.7173	0.525	10	113.3427	2.994	13	113.3002	2.608	15	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:1:	4:4:4:1:	3:4:3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4: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)(N[5]C[6a]C[5])(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]N[5,6]C[5]H)(C[5]C[5]HH)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]N[5]H)(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)(N[5]C[6a]C[5])(H){1|C<4>,1|N<3>,4|C<3>,6|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]N[5,6]C[5]H)(C[5]C[5]HH)(H){2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]N[5]H)(C[6a]C[6a]H){2|C<3>,3|H<1>,4|C<4>}	112.2592	0.533	5	112.7173	0.525	10	113.3427	2.994	13	113.3002	2.608	15	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:1:	4:4:4:1:	3:4:3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4: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)(N[5]C[6a]C[5])(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]N[5,6]C[5]H)(C[5]C[5]HH)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]N[5]H)(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)(N[5]C[6a]C[5])(H){1|C<5>,1|N<3>,2|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]N[5,6]C[5]H)(C[5]C[5]HH)(H){1|C<5>,2|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]N[5]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	113.2290	0.000	2	112.7173	0.525	10	113.3427	2.994	13	113.3002	2.608	15	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:1:	4:4:4:1:	3:4:3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4: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)(N[5]C[6a]C[5])(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]N[5,6]C[5]H)(C[5]C[5]HH)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]N[5]H)(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)(N[5]C[6a]C[5])(H){1|N<3>,2|C<4>,4|H<1>,5|C<3>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]N[5,6]C[5]H)(C[5]C[5]HH)(H){2|H<1>,3|C<4>,4|C<3>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]N[5]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	113.6360	0.000	2	112.7173	0.525	10	113.3427	2.994	13	113.3002	2.608	15	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:1:	4:4:4:1:	3:4:3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6a,6a]-3:C[5,6]-4:C[6,6a]-3:	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]H)(N[5]C[5]H)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]H)(N[5]C[5]H)(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6]){3|C<3>,3|C<4>,4|H<1>}	113.4810	0.000	1	113.4810	0.000	1	113.4810	0.000	1	113.3002	2.608	15	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:1:	4:4:4:1:	3:4:3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:S[6]-4: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]S[6]H)(N[5]C[6a]C[5])(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(S[6]N[6]OO)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[5,6]C[5,6]N[5]H)(C[6a]O[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]S[6]H)(N[5]C[6a]C[5])(H){1|N<3>,1|O<2>,3|H<1>,3|O<1>,4|C<3>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(S[6]N[6]OO)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[5,6]C[5,6]N[5]H)(C[6a]O[6a]O){1|H<1>,1|S<4>,3|C<3>,3|C<4>}	112.5670	0.000	1	112.5670	0.000	1	112.5670	0.000	1	113.3002	2.608	15	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:1:	4:4:4:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C-4: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]CH)(C[5]C[5]O)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(CCHH)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(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]CH)(C[5]C[5]O)(H){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(CCHH)(H){1|Cl<1>,1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	110.2820	0.000	1	110.2820	0.000	1	110.2820	0.000	1	112.9981	2.033	24	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:1:	4:4:4:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4: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)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(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)(H){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){1|C<2>,1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	116.5710	0.000	1	116.5710	0.000	1	114.7317	2.551	3	112.9981	2.033	24	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:1:	4:4:4:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4: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]O[5]O)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]O[5]CH)(C[6]O[6]HH)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(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]O[5]O)(H){1|O<2>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]O[5]CH)(C[6]O[6]HH)(H){1|O<1>,2|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	113.9300	0.000	1	113.9300	0.000	1	114.7317	2.551	3	112.9981	2.033	24	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:1:	4:4:4:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4: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]O[5]O)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]O[5]HO)(C[6]N[6]HH)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]O[5]HO)(C[6]N[6]HH)(H){1|C<4>,1|O<1>,2|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	113.6940	0.000	1	113.6940	0.000	1	114.7317	2.551	3	112.9981	2.033	24	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:1:	4:4:4:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4: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]H)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[5a]N[6]H)(C[5]C[5]HH)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H)(H){1|N<3>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[5a]N[6]H)(C[5]C[5]HH)(H){3|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,2|C<3>,2|C<4>,4|H<1>}	113.9520	0.000	1	113.4805	0.445	2	113.5696	0.461	7	112.9981	2.033	24	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:1:	4:4:4:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4: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]H)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[5a]N[6]H)(C[5]C[5]HH)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H)(H){1|N<3>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[5a]N[6]H)(C[5]C[5]HH)(H){3|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	113.0090	0.000	1	113.4805	0.445	2	113.5696	0.461	7	112.9981	2.033	24	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:1:	4:4:4:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4: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]H)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H)(H){1|N<3>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H){3|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|C<4>,4|H<1>}	112.9685	0.936	2	113.6052	0.575	5	113.5696	0.461	7	112.9981	2.033	24	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:1:	4:4:4:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4: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]H)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H)(H){1|N<3>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H){3|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	114.1560	0.000	1	113.6052	0.575	5	113.5696	0.461	7	112.9981	2.033	24	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:1:	4:4:4:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4: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]H)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H)(H){1|N<3>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H){3|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	113.9665	0.220	2	113.6052	0.575	5	113.5696	0.461	7	112.9981	2.033	24	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:1:	4:4:4:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4: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[5,6]C[5,6]2)(H)	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]CH)(C[6]O[6]HH)(H)	C[6,6a](C[5,6]C[5,6]N[5,6]H)(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[5,6]C[5,6]2)(H){1|O<2>,2|C<4>,4|C<3>,6|H<1>}	C[5,6](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]CH)(C[6]O[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	112.2520	0.000	1	112.2520	0.000	1	112.2520	0.000	1	112.9981	2.033	24	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:1:	4:4:4:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4: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]C)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]N[6]CH)(H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]N[6]CH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Br<1>,2|C<3>,3|C<4>,3|H<1>}	113.2970	0.000	1	113.2970	0.000	1	112.5004	1.583	9	112.9981	2.033	24	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:1:	4:4:4:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4: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]C)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[6,6a](C[5,6]C[5,6]N[5]H)(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]C)(H){1|O<2>,3|C<3>,6|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	111.9525	0.275	2	111.9525	0.076	2	112.5004	1.583	9	112.9981	2.033	24	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:1:	4:4:4:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4: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[6a]C[5])(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]CC)(C[6]C[6]HH)(H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[6a]C[5])(H){1|C<4>,3|H<1>,7|C<3>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]CC)(C[6]C[6]HH)(H){2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,5|H<1>}	111.8458	1.271	4	111.8458	1.616	4	112.5004	1.583	9	112.9981	2.033	24	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:1:	4:4:4:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4: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]O[5]C)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]O[5]HH)(C[6]O[6]HH)(H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]O[5]C)(H){1|O<2>,2|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]O[5]HH)(C[6]O[6]HH)(H){3|C<3>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	113.9595	0.732	2	113.9595	0.536	2	112.5004	1.583	9	112.9981	2.033	24	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:1:	4:4:4:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4: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]C)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H){1|N<3>,3|C<3>,6|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<3>,3|H<1>,4|C<4>}	114.2470	0.000	1	114.2470	0.000	1	112.5780	2.113	3	112.9981	2.033	24	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:1:	4:4:4:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4: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[6a]C[5])(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[6]C[3]N[6]H)(C[5]C[5]HH)(H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[6a]C[5])(H){1|C<4>,1|N<3>,4|C<3>,6|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[6]C[3]N[6]H)(C[5]C[5]HH)(H){2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	111.5880	0.000	1	111.5880	0.000	1	112.5780	2.113	3	112.9981	2.033	24	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:1:	4:4:4:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4: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[6a]C[5])(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[6a]C[5])(H){1|N<2>,5|H<1>,6|C<3>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[6]C[6a]N[6]H)(C[5]C[5]HH)(H){1|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	111.8990	0.000	1	111.8990	0.000	1	112.5780	2.113	3	112.9981	2.033	24	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:1:	4:4:4:2:	4:3:3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-2:	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)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]O[6]HH)(CN)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H){1|O<2>,3|C<3>,6|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]O[6]HH)(CN){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<2>,1|C<3>,2|H<1>,4|C<4>}	112.2040	0.000	1	112.2040	0.000	1	112.8607	0.534	7	112.8607	0.534	7	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:1:	4:4:4:2:	4:3:3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-2:	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)(N[5]C[6a]O[5])(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]O[6]HH)(CN)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[6a]O[5])(H){1|O<2>,4|H<1>,5|C<3>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]O[6]HH)(CN){5|C<3>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<2>,1|H<1>,1|O<2>,2|C<3>,2|C<4>}	112.3280	0.000	1	112.5985	0.146	2	112.8607	0.534	7	112.8607	0.534	7	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:1:	4:4:4:2:	4:3:3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-2:	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)(N[5]C[6a]O[5])(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]O[6]HH)(CN)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[6a]O[5])(H){1|O<2>,4|H<1>,5|C<3>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]O[6]HH)(CN){5|C<3>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<2>,1|H<1>,2|C<3>,2|C<4>,2|O<2>}	112.8690	0.000	1	112.5985	0.146	2	112.8607	0.534	7	112.8607	0.534	7	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:1:	4:4:4:2:	4:3:3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-2:	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)(N[5]O[5]C)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]O[6]HH)(CN)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5]C)(H){1|O<2>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]O[6]HH)(CN){1|C<4>,4|C<3>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<2>,1|C<3>,1|O<2>,2|H<1>,3|C<4>}	113.1560	0.845	4	113.1560	0.714	4	112.8607	0.534	7	112.8607	0.534	7	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:1:	4:4:4:3:	3:4:3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	C[6a,6a]-3:C[5,6]-4:C[6,6a]-3:	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]O[6]HH)(COO)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H){1|O<2>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]O[6]HH)(COO){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6]){2|H<1>,4|C<3>,4|C<4>}	111.9146	0.573	5	111.9146	0.328	5	111.9146	0.328	5	111.9146	0.328	5	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:1:	4:4:4:3:	4:3:3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	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)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[4]C[5]H)(C[6]O[6]HH)(COO)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[4]C[5]H)(C[6]O[6]HH)(COO){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<3>,4|C<4>}	112.1660	0.000	1	112.1660	0.000	1	114.1940	5.500	9	113.8762	5.166	11	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:1:	4:4:4:3:	4:3:3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	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)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]O[6]HH)(COO)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H){1|O<2>,3|C<3>,6|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]O[6]HH)(COO){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<3>,2|H<1>,4|C<4>}	111.6940	0.099	2	111.6940	0.010	2	114.1940	5.500	9	113.8762	5.166	11	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:1:	4:4:4:3:	4:3:3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	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)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]S[6]HH)(COO)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H){1|S<2>,3|C<3>,6|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]S[6]HH)(COO){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|C<3>,2|H<1>,4|C<4>}	116.7260	0.000	1	116.7260	0.000	1	114.1940	5.500	9	113.8762	5.166	11	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:1:	4:4:4:3:	4:3:3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	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)(N[5]C[6a]O[5])(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]O[6]HH)(COO)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[6a]O[5])(H){1|O<2>,4|H<1>,5|C<3>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]O[6]HH)(COO){5|C<3>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	113.6090	0.117	3	113.6090	0.014	3	114.1940	5.500	9	113.8762	5.166	11	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:1:	4:4:4:3:	4:3:3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-3:	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)(N[5]O[5]C)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]S[6]HH)(COO)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5]C)(H){1|S<2>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]O[5]H)(C[6]S[6]HH)(COO){1|C<4>,4|C<3>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	117.3195	0.612	2	117.3195	0.374	2	114.1940	5.500	9	113.8762	5.166	11	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:1:	4:4:4:3:	4:3:3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:N-3:	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]N)(N[5]C[5]C)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]O[6]HH)(NOO)	C[6,6a](C[5,6]C[5,6]N[5]H)(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]N)(N[5]C[5]C)(H){1|O<2>,3|C<3>,6|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]O[6]HH)(NOO){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,4|C<4>}	112.4460	1.632	2	112.4460	2.663	2	112.4460	2.663	2	113.8762	5.166	11	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:2:	3:4:4:1:	3:4:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:O-2:	C[6,6a]-3:C[5,6]-4:C[5]-4: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[6,6a]C[5]H)(C[5]C[5]O)(OH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]C[5]O)(C[5]C[5]HH)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]C[5]H)(C[5]C[5]O)(OH){4|C<3>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]C[5]O)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	110.4650	0.000	1	110.4650	0.000	1	110.4650	0.000	1	110.4650	0.000	1	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:2:	3:4:4:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:O-2:	C[5,6a]-3:C[5,6]-4:C[6]-4: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]H)(C[5]C[5,6a]O)(OH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]O)(C[6]C[6]CH)(H)	C[6,6a](C[5,6]C[5,6]C[5]O)(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]H)(C[5]C[5,6a]O)(OH){1|C<4>,2|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]O)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	114.5670	0.000	1	114.5670	0.000	1	114.5670	0.000	1	114.5670	0.000	1	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:2:	4:3:3:2:	3:4:3:	C[6,6a]-3:C[5,6]-4:N[5]-3:O-2:	C[5,6]-4:C[6,6]-3:N[5]-3:O-2:	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[6,6]N[5]O)(N[5]C[5]H)(OH)	C[5,6](C[5,6]C[6,6a]N[5]O)(C[6,6]C[6,6]C[6])(N[5]C[5]H)(OH)	C[6,6a](C[6,6a]C[6,6]N[6a])(C[5,6]C[5,6]N[5]O)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]N[5]O)(N[5]C[5]H)(OH){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6,6a]N[5]O)(C[6,6]C[6,6]C[6])(N[5]C[5]H)(OH){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]N[6a])(C[5,6]C[5,6]N[5]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,2|N<3>,3|C<3>}	115.1310	0.000	1	115.1310	0.000	1	115.1310	0.000	1	115.1310	0.000	1	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:2:	4:3:3:3:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[5,6]-3:C[5]-3:C-3:	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]C[5]C)(C[5]C[5]C)(O[5]C[5])	C[5,6](C[5,6]C[6,6a]C[5]O[5])(C[5,6]C[5]O[6])(C[5]C[5]C)(COO)	C[6,6a](C[5,6]C[5,6]C[5]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(C[5]C[5]C)(O[5]C[5]){1|H<1>,1|N<2>,1|O<2>,6|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]O[5])(C[5,6]C[5]O[6])(C[5]C[5]C)(COO){1|C<2>,1|N<2>,5|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,7|C<3>}	111.4920	0.000	1	111.4920	0.000	1	111.4920	0.000	1	111.4920	0.000	1	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:2:	4:4:2:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:O-2:	C[5,6]-4:C[5,6]-4:O-2: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]HO)(C[5]N[5]O)(OH)	C[5,6](C[5,6]C[6,6a]C[5]O)(C[5,6]C[6]N[5]H)(OH)(H)	C[6,6a](C[5,6]C[5,6]C[5]O)(C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HO)(C[5]N[5]O)(OH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]O)(C[5,6]C[6]N[5]H)(OH)(H){1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]O)(C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	107.7040	0.000	1	107.7040	0.000	1	107.7040	0.000	1	107.7040	0.000	1	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:2:	4:4:3:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:N[5]-3:S-2:	C[5,6]-4:C[5]-4:C[6]-3: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]S)(SC)	C[5,6](C[5,6]C[6,6a]N[5]S)(C[5]C[5]Cl2)(C[6]C[6]H)(H)	C[6,6a](C[5,6]C[5,6]N[5]S)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]S)(SC){2|Cl<1>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6,6a]N[5]S)(C[5]C[5]Cl2)(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|S<4>,2|C<3>}	C[6,6a](C[5,6]C[5,6]N[5]S)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	113.0180	0.000	1	113.0180	0.000	1	113.0180	0.000	1	113.0180	0.000	1	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:2:	4:4:3:4:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:N-2:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	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[6a]N[5])(NN)	C[5,6](C[5,6]C[6,6a]C[5]N)(C[5]N[5]HH)(C[6]N[6]O)(CH3)	C[6,6a](C[5,6]C[5,6]C[5]N)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]N[5])(NN){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]N)(C[5]N[5]HH)(C[6]N[6]O)(CH3){1|S<4>,3|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]N)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<2>,1|S<4>,2|C<4>,2|H<1>,3|C<3>}	107.2720	0.000	1	107.2720	0.000	1	107.2720	0.000	1	107.2720	0.000	1	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:2:	4:4:4:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:O[5]-2:	C[5,6]-4:C[5,6]-4:C[5]-4: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]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	C[5,6](C[5,6]C[6,6a]C[6a]O[5])(C[5,6]C[5,6a]N[5,6]H)(C[5]C[5]HH)(H)	C[6,6a](C[5,6]C[5,6]C[6a]O[5])(C[6,6a]N[5,6]C[6a])(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)(C[6a]C[6a]2)(O[5]C[5]){1|N<3>,5|C<3>,8|H<1>}	C[5,6](C[5,6]C[6,6a]C[6a]O[5])(C[5,6]C[5,6a]N[5,6]H)(C[5]C[5]HH)(H){2|H<1>,7|C<3>}	C[6,6a](C[5,6]C[5,6]C[6a]O[5])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|Br<1>,2|H<1>,3|C<4>,4|C<3>}	115.2275	0.108	2	115.3943	0.089	3	115.3943	0.089	3	115.3943	0.089	3	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:2:	4:4:4:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:O[5]-2:	C[5,6]-4:C[5,6]-4:C[5]-4: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]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	C[5,6](C[5,6]C[6,6a]C[6a]O[5])(C[5,6]C[5,6a]N[5,6]H)(C[5]C[5]HH)(H)	C[6,6a](C[5,6]C[5,6]C[6a]O[5])(C[6,6a]N[5,6]C[6a])(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)(C[6a]C[6a]2)(O[5]C[5]){1|N<3>,5|C<3>,8|H<1>}	C[5,6](C[5,6]C[6,6a]C[6a]O[5])(C[5,6]C[5,6a]N[5,6]H)(C[5]C[5]HH)(H){2|H<1>,7|C<3>}	C[6,6a](C[5,6]C[5,6]C[6a]O[5])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|I<1>,2|H<1>,3|C<4>,4|C<3>}	115.7280	0.000	1	115.3943	0.089	3	115.3943	0.089	3	115.3943	0.089	3	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:2:	4:4:4:4:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:N-2:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	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[6a]N[5])(NN)	C[5,6](C[5,6]C[6,6a]C[5]N)(C[5]N[5]HH)(C[6]N[6]HH)(CH3)	C[6,6a](C[5,6]C[5,6]C[5]N)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]N[5])(NN){1|N<3>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]N)(C[5]N[5]HH)(C[6]N[6]HH)(CH3){1|S<4>,3|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]N)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<2>,1|S<4>,2|C<3>,2|H<1>,3|C<4>}	114.8850	0.000	1	114.8850	0.000	1	114.8850	0.000	1	114.8850	0.000	1	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:3:	3:4:4:3:	4:3:3:	C[6,6a]-3:C[5,6]-4:N[5]-3:C-3:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-3:	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]H)(CCH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5]C)(C[6]O[6]HH)(CHO)	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[5,6a]C[6]C)(N[5]C[5,6a]H)(CCH){1|O<2>,3|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5]C)(C[6]O[6]HH)(CHO){2|H<1>,4|C<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){1|C<4>,3|H<1>,4|C<3>}	109.6960	1.396	2	109.6960	1.948	2	109.6960	1.948	2	109.6960	1.948	2	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:3:	4:4:1:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:N[5]-3:C-3:	C[5,6]-4:C[5,6]-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)(N[5]C[6a]C[5])(COO)	C[5,6](C[5,6]C[6,6a]N[5]C)(C[5,6]C[5]N[6]C)(H)2	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[5,6]HH)(N[5]C[6a]C[5])(COO){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6](C[5,6]C[6,6a]N[5]C)(C[5,6]C[5]N[6]C)(H)2{1|H<1>,1|O<1>,3|C<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|C<4>,1|O<2>,3|C<3>,4|H<1>}	108.5570	0.000	1	108.5570	0.000	1	108.5570	0.000	1	108.5570	0.000	1	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:3:	4:4:3:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:N[5]-3:	C[5,6]-4:C[5]-4:C[6]-3: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[6a]C[6a]2)(N[5]C[5]H)	C[5,6](C[5,6]C[6,6a]C[6a]N[5])(C[5]C[5]CH)(C[6]O[6]O)(H)	C[6,6a](C[5,6]C[5,6]C[6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H){1|C<4>,1|O<1>,1|O<2>,5|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]C[6a]N[5])(C[5]C[5]CH)(C[6]O[6]O)(H){2|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,6]C[6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,4|C<3>,4|H<1>}	106.5140	0.000	1	106.5140	0.000	1	106.5140	0.000	1	106.5140	0.000	1	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:4:	3:4:3:4:	4:3:3:	C[6,6a]-3:C[5,6]-4:N[5]-3:C-4:	C[5,6a]-3:C[5,6]-4:C[6]-3:C-4:	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[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[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[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[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>}	113.5980	0.000	1	113.5980	0.000	1	113.5980	0.000	1	113.5980	0.000	1	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:4:	4:3:1:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:N[5,6]-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]N[5,6]HH)(C[5]C[5]H)(CH3)	C[5,6](C[5,6]C[6,6a]C[5]C)(N[5,6]C[5]S[6])(H)2	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[5,6](C[5,6]C[6,6a]C[5]C)(N[5,6]C[5]S[6])(H)2{2|C<3>,2|H<1>,2|O<1>}	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>}	107.9675	0.056	2	107.9675	0.003	2	107.9675	0.003	2	107.9675	0.003	2	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	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[5,6]-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[5,6](C[5,6]C[6,6a]C[5]C)(C[5,6]C[5]N[6]C)(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[5,6](C[5,6]C[6,6a]C[5]C)(C[5,6]C[5]N[6]C)(H)2{1|O<1>,2|H<1>,3|C<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|C<3>,1|O<1>,2|C<4>,5|H<1>}	107.3040	0.000	1	107.3040	0.000	1	107.8895	0.686	2	107.8895	0.686	2	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	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[5,6]-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]N[5]O)(CH3)	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5,6]C[6]N[5]H)(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[5,6]HH)(C[5]N[5]O)(CH3){1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5,6]C[6]N[5]H)(H)2{1|O<1>,2|H<1>,3|C<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>}	108.4750	0.000	1	108.4750	0.000	1	107.8895	0.686	2	107.8895	0.686	2	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:4:	4:4:2:4:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[5]-4:O[6]-2:C-4:	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[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]HH)(O[6]N[6])(CH3)	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[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[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>}	112.5350	0.000	1	112.5350	0.000	1	112.5350	0.000	1	112.5350	0.000	1	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:4:	4:4:3:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:N[5]-4:	C[5,6]-4:C[5]-4:C[6]-3: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[6a]C[6a]2)(N[5]C[5]HH)	C[5,6](C[5,6]C[6,6a]C[6a]N[5])(C[5]C[5]CH)(C[6]O[6]O)(H)	C[6,6a](C[5,6]C[5,6]C[6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(N[5]C[5]HH){1|C<4>,1|O<1>,1|O<2>,5|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]C[6a]N[5])(C[5]C[5]CH)(C[6]O[6]O)(H){3|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,6]C[6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,4|C<3>,5|H<1>}	107.6150	0.000	1	107.6150	0.000	1	107.6150	0.000	1	107.6150	0.000	1	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:4:	4:4:4:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[5]-4:C[6]-4: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[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	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[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|Cl<1>,1|O<1>,2|C<3>,3|H<1>}	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>}	111.9520	0.000	1	111.9520	0.000	1	112.3877	1.347	3	112.3877	1.347	3	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:4:	4:4:4:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[5]-4:C[6]-4: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[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[6a]C[5]H)(C[6]O[6]HH)(H)	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[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[6a]C[5]H)(C[6]O[6]HH)(H){1|H<1>,1|O<1>,5|C<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>}	111.5080	0.000	1	111.5080	0.000	1	112.3877	1.347	3	112.3877	1.347	3	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:3:4:	4:4:4:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[5]-4:C[6]-4: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[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	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[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,3|C<3>}	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>}	113.7030	0.000	1	113.7030	0.000	1	112.3877	1.347	3	112.3877	1.347	3	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:4:1:	3:4:3:2:	3:4:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:O-2:	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[6,6a]C[5]O)(C[5]C[5]HH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]C[5]H)(C[5]C[5]O)(OH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]C[5]O)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]C[5]H)(C[5]C[5]O)(OH){4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	110.5200	0.000	1	110.5200	0.000	1	110.5200	0.000	1	110.5200	0.000	1	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:4:1:	3:4:4:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4: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]H)(C[5]C[5,6a]HH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]H)(C[6]C[6a]O[6]H)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(H){1|O<2>,2|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]H)(C[6]C[6a]O[6]H)(H){3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	112.4690	0.000	1	112.4690	0.000	1	112.4690	0.000	1	112.4690	0.000	1	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:4:1:	4:3:1:1:	3:4:3:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:N[5,6]-3: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]O)(C[5,6]N[5,6]HH)(H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(N[5,6]C[5,6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2H)(C[6a]C[5,6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]O)(C[5,6]N[5,6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]C[5,6]H)(N[5,6]C[5,6]C[6])(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2H)(C[6a]C[5,6a]H){1|C<4>,1|N<3>,2|C<3>,2|O<2>,5|H<1>}	108.5430	0.000	1	108.5430	0.000	1	108.5430	0.000	1	108.5430	0.000	1	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:4:1:	4:3:1:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:N[5,6]-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]N[5,6]HH)(C[5]C[5]BrH)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(N[5,6]C[5]S[6])(H)2	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]HH)(C[5]C[5]BrH)(H){1|Br<1>,1|S<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(N[5,6]C[5]S[6])(H)2{2|Br<1>,2|C<3>,2|H<1>,2|O<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|O<1>,5|H<1>}	110.7620	0.000	1	110.7620	0.000	1	110.2170	0.594	2	110.2170	0.594	2	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:4:1:	4:3:1:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:N[5,6]-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]N[5,6]HH)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(N[5,6]C[5]S[6])(H)2	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]HH)(C[5]C[5]HH)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(N[5,6]C[5]S[6])(H)2{1|C<4>,2|C<3>,2|O<1>,3|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|O<1>,6|H<1>}	109.6720	0.000	1	109.6720	0.000	1	110.2170	0.594	2	110.2170	0.594	2	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:4:1:	4:3:3:3:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5,5]-4:H-1:	C[5,6]-4:C[6]-3:N[5]-3:C-3:	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[5,5]C[5]3)(H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6]O[6]O)(N[5]C[5]H)(COO)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(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[6]N[5]C)(C[5,5]C[5]3)(H){1|O<2>,3|H<1>,3|O<1>,5|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6]O[6]O)(N[5]C[5]H)(COO){1|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	113.3760	0.000	1	113.3760	0.000	1	113.3760	0.000	1	113.3760	0.000	1	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:4:1:	4:3:3:4:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:Br-1:	C[5,6]-4:C[5,6a]-3:N[6]-3:C-4:	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)(C[5]C[5,6a]HO)(Br)	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[6,6a](C[5,6]C[5,6]C[5]Br)(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)(C[5]C[5,6a]HO)(Br){1|C<4>,1|H<1>,5|C<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){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]Br)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	115.7990	0.000	1	115.7990	0.000	1	115.7990	0.000	1	115.7990	0.000	1	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:4:1:	4:3:4:3:	4:3:3:	C[6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:C[5]-3:C[6]-4:C-3:	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)(C[5,6]C[5]C[6]C)(H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5]C[5,5]H)(C[6]N[6]HH)(COO)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]O[5]H)(C[5,6]C[5]C[6]C)(H){1|N<3>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5]C[5,5]H)(C[6]N[6]HH)(COO){1|H<1>,1|O<2>,1|S<4>,3|C<3>}	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<2>,1|S<4>,2|H<1>,4|C<3>}	115.4250	0.000	1	115.4250	0.000	1	114.7535	0.902	2	114.7535	0.902	2	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:4:1:	4:3:4:3:	4:3:3:	C[6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:C[5]-3:C[6]-4:C-3:	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]S[5]H)(C[5,6]C[5]C[6]C)(H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5]C[5,5]H)(C[6]N[6]HH)(COO)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]S[5]H)(C[5,6]C[5]C[6]C)(H){1|N<3>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5]C[5,5]H)(C[6]N[6]HH)(COO){1|H<1>,1|S<2>,1|S<4>,3|C<3>}	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|S<2>,1|S<4>,3|H<1>,4|C<3>}	114.0820	0.000	1	114.0820	0.000	1	114.7535	0.902	2	114.7535	0.902	2	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:4:1:	4:4:1:1:	4:3:3:	C[6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-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[5,5]C[5]N[5]O[5])(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[6]O[5]C)(H)2	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]N[5]O[5])(C[5,6]C[5,6]HH)(H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[6]O[5]C)(H)2{1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<4>,1|N<2>,2|C<3>,2|O<2>,5|H<1>}	108.8570	0.000	1	108.8570	0.000	1	108.9810	0.031	2	107.8331	0.805	7	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:4:1:	4:4:1:1:	4:3:3:	C[6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-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[5,5]C[5]O[5]2)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[6]O[5]C)(H)2	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5]O[5]2)(C[5,6]C[5,6]HH)(H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[6]O[5]C)(H)2{1|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<4>,2|C<3>,3|O<2>,5|H<1>}	109.1050	0.000	1	109.1050	0.000	1	108.9810	0.031	2	107.8331	0.805	7	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:4:1:	4:4:1:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-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[6a]N[5]C)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]N[5]N[6]H)(H)2	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]Br)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]C[6a]N[5]C)(H){1|Br<1>,1|H<1>,1|N<3>,5|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]N[5]N[6]H)(H)2{1|C<4>,5|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]Br){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	107.8270	0.000	1	107.8270	0.000	1	107.3740	0.278	5	107.8331	0.805	7	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:4:1:	4:4:1:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-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]O[5]CH)(H)	C[5,6](C[5,6]C[6a]O[5]O[6])(C[5,6]C[6,6a]C[5]H)(H)2	C[6,6a](C[5,6]C[5,6]C[5]H)(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[5,6]HH)(C[5]O[5]CH)(H){1|H<1>,1|O<2>,3|C<3>}	C[5,6](C[5,6]C[6a]O[5]O[6])(C[5,6]C[6,6a]C[5]H)(H)2{1|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	107.3740	0.000	1	107.3740	0.000	1	107.3740	0.278	5	107.8331	0.805	7	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:4:1:	4:4:1:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-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]O[5]HH)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]O[5]O[6]C)(H)2	C[6,6a](C[5,6]C[5,6]C[5]H)(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[5,6]HH)(C[5]O[5]HH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]O[5]O[6]C)(H)2{2|C<3>,2|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,2|O<2>,4|H<1>}	106.6290	0.000	1	107.2230	0.419	3	107.3740	0.278	5	107.8331	0.805	7	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:4:1:	4:4:1:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-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]O[5]HH)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]O[5]O[6]C)(H)2	C[6,6a](C[5,6]C[5,6]C[5]H)(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[5,6]HH)(C[5]O[5]HH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]O[5]O[6]C)(H)2{2|C<3>,2|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	107.1270	0.000	1	107.2230	0.419	3	107.3740	0.278	5	107.8331	0.805	7	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:4:1:	4:4:1:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-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]O[5]HH)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]O[5]O[6]C)(H)2	C[6,6a](C[5,6]C[5,6]C[5]H)(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[5,6]HH)(C[5]O[5]HH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]O[5]O[6]C)(H)2{2|C<3>,2|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	107.9130	0.000	1	107.2230	0.419	3	107.3740	0.278	5	107.8331	0.805	7	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:4:1:	4:4:2:1:	3:4:3:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2: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]H)(C[5,6]C[6]O[5]H)(H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6]O[6]CO)(O[5]C[5,6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[5,6]C[5,6]2H)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(H){1|C<4>,2|H<1>,3|O<2>,5|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6]O[6]CO)(O[5]C[5,6])(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[5,6]C[5,6]2H)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	112.0280	0.218	2	112.6704	1.143	5	112.6704	1.143	5	111.9296	2.367	7	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:4:1:	4:4:2:1:	3:4:3:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2: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]H)(C[5,6]C[6]O[5]H)(H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6]O[6]CO)(O[5]C[5,6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[5,6]C[5,6]2H)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(H){2|C<4>,2|H<1>,3|O<2>,4|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6]O[6]CO)(O[5]C[5,6])(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[5,6]C[5,6]2H)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	113.0987	1.255	3	112.6704	1.143	5	112.6704	1.143	5	111.9296	2.367	7	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:4:1:	4:4:2:1:	3:4:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:O[6]-2: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]O[6]H)(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]H)(C[5]C[5]CH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(O[6]C[6])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]O){1|C<3>,3|C<4>,3|O<2>,4|H<1>}	110.0775	0.159	2	110.0775	0.025	2	110.0775	0.025	2	111.9296	2.367	7	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:4:1:	4:4:2:1:	4:3:3:	C[6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2: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[5,5]C[5,6a]C[5]2)(C[5,6]C[6]O[5]H)(H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(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[5,6a]C[5]2)(C[5,6]C[6]O[5]H)(H){1|N<3>,1|O<1>,5|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	115.4940	0.000	1	115.4940	0.000	1	115.4940	0.000	1	114.4737	0.305	7	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:4:1:	4:4:2:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2: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]O[5]H)(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(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]O[5]H)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	113.9970	0.088	2	113.9970	0.008	2	114.3037	0.123	6	114.4737	0.305	7	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:4:1:	4:4:2:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2: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]O[5]H)(C[5]C[6a]C[5]H)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(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]O[5]H)(C[5]C[6a]C[5]H)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,3|C<3>,3|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	114.5055	0.402	2	114.4570	0.109	4	114.3037	0.123	6	114.4737	0.305	7	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:4:1:	4:4:2:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2: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]O[5]H)(C[5]C[6a]C[5]H)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(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]O[5]H)(C[5]C[6a]C[5]H)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,3|C<3>,3|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|O<2>,3|C<3>,5|H<1>}	114.4085	0.395	2	114.4570	0.109	4	114.3037	0.123	6	114.4737	0.305	7	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:4:1:	4:4:3:1:	3:4:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3: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]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]O[6]H)(C[5]C[5]O)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[5,6]C[5,6]C[5]H)(C[6a]O[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){2|C<3>,2|O<1>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]O[6]H)(C[5]C[5]O)(H){4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[5,6]C[5,6]C[5]H)(C[6a]O[6a]O){2|C<4>,3|C<3>,3|H<1>}	111.3330	0.000	1	111.3330	0.000	1	111.3330	0.000	1	111.3330	0.000	1	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:4:1:	4:4:3:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3: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]C[5]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]O[5]O[6])(C[5,6]C[6,6a]C[5]H)(C[5]C[5]O)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]O[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,2|H<1>,2|O<1>,3|O<2>}	C[5,6](C[5,6]C[5]O[5]O[6])(C[5,6]C[6,6a]C[5]H)(C[5]C[5]O)(H){2|C<3>,2|C<4>,6|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]O[6a]O){2|C<3>,2|C<4>,4|H<1>}	112.2420	0.000	1	112.2420	0.000	1	111.2330	1.787	3	113.0439	6.293	16	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:4:1:	4:4:3:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3: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]C[5]H)(C[5]C[5]HO)(H)	C[5,6](C[5,6]C[5]O[5]O[6])(C[5,6]C[6,6a]C[5]H)(C[5]C[5]O)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]O[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HO)(H){1|C<3>,1|C<4>,2|H<1>,2|O<1>,3|O<2>}	C[5,6](C[5,6]C[5]O[5]O[6])(C[5,6]C[6,6a]C[5]H)(C[5]C[5]O)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]O[6a]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	111.7400	0.000	1	111.7400	0.000	1	111.2330	1.787	3	113.0439	6.293	16	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:4:1:	4:4:3:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3: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]C[5]H)(C[5]O[5]HH)(H)	C[5,6](C[5,6]C[5]O[5]O[6])(C[5,6]C[6,6a]C[5]H)(C[5]O[5]O)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]O[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]O[5]HH)(H){1|C<3>,1|C<4>,2|O<1>,3|O<2>}	C[5,6](C[5,6]C[5]O[5]O[6])(C[5,6]C[6,6a]C[5]H)(C[5]O[5]O)(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]O[6a]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	109.7170	0.000	1	109.7170	0.000	1	111.2330	1.787	3	113.0439	6.293	16	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:4:1:	4:4:3:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3: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]CH)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]N[6]O)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]CH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]N[6]O)(H){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	109.4970	0.000	1	109.4970	0.000	1	112.0493	5.199	8	113.0439	6.293	16	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:4:1:	4:4:3:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3: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]O[5]H)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]O[5]H)(C[6]C[6]H)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]H)(H){1|C<2>,2|H<1>,6|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]O[5]H)(C[6]C[6]H)(H){2|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C){1|C<2>,1|C<4>,1|O<2>,3|H<1>,4|C<3>}	115.4650	0.064	2	115.4650	0.004	2	112.0493	5.199	8	113.0439	6.293	16	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:4:1:	4:4:3:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3: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]O[5]O)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]2O[5])(C[6]C[6]H)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]O)(H){2|H<1>,7|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]2O[5])(C[6]C[6]H)(H){1|H<1>,1|O<2>,7|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	109.8420	0.000	1	109.8420	0.000	1	112.0493	5.199	8	113.0439	6.293	16	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:4:1:	4:4:3:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3: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]N[5]CC)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]O[6]O)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(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]N[5]CC)(H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]O[6]O)(H){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|C<4>,2|H<1>,3|C<3>}	112.0340	0.000	1	111.4677	0.275	3	112.0493	5.199	8	113.0439	6.293	16	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:4:1:	4:4:3:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3: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]N[5]CC)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]O[6]O)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(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]N[5]CC)(H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]O[6]O)(H){1|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|N<3>,2|H<1>,4|C<3>}	111.1845	0.262	2	111.4677	0.275	3	112.0493	5.199	8	113.0439	6.293	16	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:4:1:	4:4:3:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3: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]N[5]CC)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]O[6]S)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(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]N[5]CC)(H){1|O<2>,1|S<1>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]O[6]S)(H){1|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|N<3>,2|H<1>,4|C<3>}	111.7220	0.000	1	111.7220	0.000	1	112.0493	5.199	8	113.0439	6.293	16	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:4:1:	4:4:3:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3: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]HN)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(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]HN)(H){1|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(H){1|N<3>,2|C<3>,5|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	115.5760	0.000	1	115.5760	0.000	1	115.7218	0.206	5	113.0439	6.293	16	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:4:1:	4:4:3:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3: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]O[5]CH)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]CC)(C[5]O[5]O)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]O[5]CH)(H){1|Br<1>,1|O<1>,2|C<4>,3|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]CC)(C[5]O[5]O)(H){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]Br){1|O<2>,3|C<3>,3|H<1>,4|C<4>}	115.4490	0.587	2	115.4490	0.344	2	115.7218	0.206	5	113.0439	6.293	16	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:4:1:	4:4:3:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3: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]O[5]CH)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]CC)(C[5]O[5]O)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(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]O[5]CH)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]CC)(C[5]O[5]O)(H){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>,4|C<4>}	116.0675	0.264	2	116.0675	0.070	2	115.7218	0.206	5	113.0439	6.293	16	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:4:1:	4:4:3:3:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	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]CH)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]N[6]O)(COO)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]N[6]O)(COO){3|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<4>,4|C<3>,4|H<1>}	113.0360	0.197	2	113.0360	0.039	2	113.9040	1.251	6	112.8830	8.340	7	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:4:1:	4:4:3:3:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	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]HN)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]N[6]O)(COO)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HN)(H){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]N[6]O)(COO){1|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	114.5500	1.307	3	114.5500	1.709	3	113.9040	1.251	6	112.8830	8.340	7	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:4:1:	4:4:3:3:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	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[6a]O[5]C)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]O[5]H)(C[6]O[6]O)(CCO)	C[6,6a](C[5,6]C[5,6]C[5]H)(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[6a]O[5]C)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]O[5]H)(C[6]O[6]O)(CCO){6|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	113.7020	0.000	1	113.7020	0.000	1	113.9040	1.251	6	112.8830	8.340	7	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:4:1:	4:4:3:3:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	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)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]N[6]HH)(C[5]C[5]H)(COO)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|N<3>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]N[6]HH)(C[5]C[5]H)(COO){1|S<4>,2|H<1>,3|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,4|C<3>,4|H<1>}	106.7570	0.000	1	106.7570	0.000	1	106.7570	0.000	1	112.8830	8.340	7	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:4:1:	4:4:3:4:	3:4:3:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	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]C[6]2)(C[5,6]C[5]C[6]C)(H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(C[6]N[6]O)(CHHO)	C[6,6a](C[6,6a]C[6a]N[6])(C[5,6]C[5,6]2H)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]C)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,7|H<1>}	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(C[6]N[6]O)(CHHO){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[5,6]C[5,6]2H)(C[6a]C[6a]H){2|C<3>,3|H<1>,5|C<4>}	112.6750	0.423	2	112.6750	0.179	2	112.6750	0.179	2	112.2963	0.520	3	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:4:1:	4:4:3:4:	3:4:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	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]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[5,6]C[5,6]C[5]H)(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)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H){3|C<3>,3|C<4>,5|H<1>}	111.5390	0.000	1	111.5390	0.000	1	111.5390	0.000	1	112.2963	0.520	3	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:4:1:	4:4:3:4:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:N[5]-3:C-4:	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)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]O[6]HH)(N[5]C[5]H)(CH3)	C[6,6a](C[5,6]C[5,6]C[5]H)(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[6]N[5]C)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,6|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]O[6]HH)(N[5]C[5]H)(CH3){2|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,3|C<4>,3|H<1>}	112.7290	0.000	1	112.7290	0.000	1	112.7290	0.000	1	112.7290	0.000	1	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:4:1:	4:4:4:1:	3:4:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4: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]C[6]H)(C[5]N[5]CH)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]N[5]HH)(C[6]O[6]CC)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[5,6]C[5,6]C[5]H)(C[6a]N[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]CH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]N[5]HH)(C[6]O[6]CC)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[5,6]C[5,6]C[5]H)(C[6a]N[6a]O){1|N<3>,2|C<3>,2|H<1>,4|C<4>}	107.3800	0.048	2	107.3800	0.002	2	108.7057	2.466	4	108.7057	2.466	4	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:4:1:	4:4:4:1:	3:4:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4: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]C[6]H)(C[5]N[5]HH)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]N[5]HH)(C[6]O[6]CC)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[5,6]C[5,6]C[5]H)(C[6a]N[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]N[5]HH)(C[6]O[6]CC)(H){1|S<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[5,6]C[5,6]C[5]H)(C[6a]N[6a]O){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	110.0315	0.603	2	110.0315	0.364	2	108.7057	2.466	4	108.7057	2.466	4	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:4:1:	4:4:4:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4: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]N[5]CH)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]N[5]HH)(C[6]O[6]CC)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]N[6a]O[6])(C[6a]C[6a,6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]CH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]N[5]HH)(C[6]O[6]CC)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]N[6a]O[6])(C[6a]C[6a,6a]O){1|N<3>,2|C<3>,2|H<1>,4|C<4>}	107.8820	0.000	1	107.8820	0.000	1	107.7524	0.828	5	110.1126	12.482	8	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:4:1:	4:4:4:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4: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]N[5]CH)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]N[5]HH)(C[6]O[6]CC)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]CH)(H){1|O<1>,1|O<2>,1|S<4>,2|C<4>,2|H<1>,2|N<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]N[5]HH)(C[6]O[6]CC)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O){1|C<3>,1|N<3>,2|H<1>,5|C<4>}	107.7190	1.283	3	107.7190	1.646	3	107.7524	0.828	5	110.1126	12.482	8	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:4:1:	4:4:4:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4: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]N[5]HH)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]N[5]HH)(C[6]O[6]CC)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H){1|O<1>,1|O<2>,1|S<4>,2|C<4>,2|H<1>,2|N<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]N[5]HH)(C[6]O[6]CC)(H){1|S<4>,2|C<3>,2|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O){1|C<3>,1|N<3>,3|H<1>,4|C<4>}	107.7230	0.000	1	107.7230	0.000	1	107.7524	0.828	5	110.1126	12.482	8	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:4:1:	4:4:4:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:S[6]-4: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]S[6]H)(C[5]N[5]CH)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5a]N[5]H)(S[6]O[6]OO)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(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]S[6]H)(C[5]N[5]CH)(H){1|O<2>,2|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5a]N[5]H)(S[6]O[6]OO)(H){1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|S<4>,2|C<3>,4|H<1>}	116.3200	0.000	1	116.3200	0.000	1	116.3200	0.000	1	110.1126	12.482	8	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:4:1:	4:4:4:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4: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]N[5]HH)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]O[6]H)(C[5]N[5]HH)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,1|S<4>,2|N<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]O[6]H)(C[5]N[5]HH)(H){1|S<4>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O){1|C<3>,1|N<3>,3|H<1>,4|C<4>}	111.9010	0.000	1	111.9010	0.000	1	111.9010	0.000	1	110.1126	12.482	8	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:4:1:	4:4:4:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:N[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4: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]O[5]HH)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]O[5]HH)(C[6]O[6]HH)(H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]O[5]HH)(H){1|O<2>,2|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]O[5]HH)(C[6]O[6]HH)(H){2|C<3>,2|H<1>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	113.9180	0.000	1	113.9180	0.000	1	113.9180	0.000	1	110.1126	12.482	8	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:4:1:	4:4:4:3:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,5]-4:C[6]-4:N-3:	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[5,5]C[6]N)(C[5]N[5,5]CH)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,5]N[5,5]S[5]H)(C[6]C[6a]O[6]H)(NOO)	C[6,6a](C[5,6]C[5,6]C[5]H)(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[5,5]C[6]N)(C[5]N[5,5]CH)(H){1|O<2>,1|S<2>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,5]N[5,5]S[5]H)(C[6]C[6a]O[6]H)(NOO){1|H<1>,7|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	113.4110	0.062	3	113.4030	0.003	4	113.4030	0.003	4	113.4170	0.028	6	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:4:1:	4:4:4:3:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,5]-4:C[6]-4:N-3:	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[5,5]C[6]N)(C[5]N[5,5]CH)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,5]N[5,5]S[5]H)(C[6]C[6a]O[6]H)(NOO)	C[6,6a](C[5,6]C[5,6]C[5]H)(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[5,5]C[6]N)(C[5]N[5,5]CH)(H){1|O<2>,1|S<2>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,5]N[5,5]S[5]H)(C[6]C[6a]O[6]H)(NOO){1|H<1>,7|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Cl<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	113.3790	0.000	1	113.4030	0.003	4	113.4030	0.003	4	113.4170	0.028	6	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:4:1:	4:4:4:3:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:N-3:	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]N)(C[5]N[5]CC)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[6a]O[6]H)(NOO)	C[6,6a](C[5,6]C[5,6]C[5]H)(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]N)(C[5]N[5]CC)(H){1|O<2>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[6a]O[6]H)(NOO){1|H<1>,8|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,2|N<3>,3|C<3>}	113.6970	0.000	1	113.6970	0.000	1	113.4450	0.127	2	113.4170	0.028	6	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:4:1:	4:4:4:3:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:N-3:	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]N)(C[5]N[5]CC)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]O[6]HH)(NOO)	C[6,6a](C[5,6]C[5,6]C[5]H)(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]N)(C[5]N[5]CC)(H){1|O<2>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]O[6]HH)(NOO){1|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<4>,2|N<3>,3|C<3>}	113.1930	0.000	1	113.1930	0.000	1	113.4450	0.127	2	113.4170	0.028	6	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:4:1:	4:4:4:4:	3:4:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	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]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[5,6]C[5,6]C[5]H)(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)(H){1|C<4>,2|C<3>,7|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){2|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H){2|C<3>,4|C<4>,5|H<1>}	115.0830	0.000	1	115.0830	0.000	1	115.0830	0.000	1	115.0830	0.000	1	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:4:1:	4:4:4:4:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	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]CH)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]C[6]CO)(CH3)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(H){1|O<2>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]C[6]CO)(CH3){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,6|C<4>}	114.0950	0.000	1	114.0950	0.000	1	114.0950	0.000	1	114.0950	0.000	1	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:4:2:	4:3:2:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:N[5]-3:O[6]-2: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]O[6]H)(C[5]C[5]HH)(OC)	C[5,6](C[5,6]C[6,6a]C[5]O)(N[5]C[5]C)(O[6]N[6])(H)	C[6,6a](C[5,6]C[5,6]C[5]O)(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]N[5]O[6]H)(C[5]C[5]HH)(OC){1|N<3>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]O)(N[5]C[5]C)(O[6]N[6])(H){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]O)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,5|H<1>}	112.9760	0.000	1	112.9760	0.000	1	112.9760	0.000	1	112.9760	0.000	1	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:4:2:	4:4:2:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[5,6]-4:O-2: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]HO)(C[5]C[5]CH)(OH)	C[5,6](C[5,6]C[6a]C[5]O[6])(C[5,6]C[6,6a]C[5]O)(OH)(H)	C[6,6a](C[5,6]C[5,6]C[5]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HO)(C[5]C[5]CH)(OH){1|H<1>,2|O<2>,4|C<3>}	C[5,6](C[5,6]C[6a]C[5]O[6])(C[5,6]C[6,6a]C[5]O)(OH)(H){2|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	108.4740	0.098	2	108.4740	0.010	2	108.4740	0.010	2	108.4740	0.010	2	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:4:2:	4:4:3:1:	3:4:3:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:O-2:	C[5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6,6a,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(OC)	C[5,6](C[5,6,6]C[6,6,6a]C[5,6]C[6])(C[5,6]C[6,6a]C[5,6]O)(C[6]C[6,6a]O)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]2O)(C[6a]C[6a]C)	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(OC){1|H<1>,1|O<2>,2|C<4>,2|O<1>,5|C<3>}	C[5,6](C[5,6,6]C[6,6,6a]C[5,6]C[6])(C[5,6]C[6,6a]C[5,6]O)(C[6]C[6,6a]O)(H){2|O<2>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]2O)(C[6a]C[6a]C){2|C<4>,3|H<1>,5|C<3>}	115.8905	0.218	2	115.8905	0.048	2	115.8905	0.048	2	115.8905	0.048	2	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:4:2:	4:4:3:4:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	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[6a]C[5]H)(OC)	C[5,6](C[5,6]C[6,6a]C[5]O)(C[5]C[5]HH)(C[6]N[6]O)(CH3)	C[6,6a](C[5,6]C[5,6]C[5]O)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]C[5]H)(OC){1|C<2>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]O)(C[5]C[5]HH)(C[6]N[6]O)(CH3){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]O)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){3|C<3>,3|H<1>,4|C<4>}	108.0820	0.000	1	108.0820	0.000	1	108.0820	0.000	1	110.6425	13.112	2	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:4:2:	4:4:3:4:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	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)(OH)	C[5,6](C[5,6]C[6,6a]C[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[6,6a](C[5,6]C[5,6]C[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|O<1>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){3|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|C<3>,3|H<1>,4|C<4>}	113.2030	0.000	1	113.2030	0.000	1	113.2030	0.000	1	110.6425	13.112	2	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:4:2:	4:4:4:1:	3:4:3:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4: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]C[6]2)(C[5,6]C[5]C[6]H)(OH)	C[5,6](C[5,6]C[6,6a]C[5,6]O)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2O)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(OH){1|O<2>,2|C<4>,5|C<3>,8|H<1>}	C[5,6](C[5,6]C[6,6a]C[5,6]O)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){2|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2O)(C[6a]C[6a]H){1|C<3>,5|C<4>,5|H<1>}	113.9440	0.000	1	113.9440	0.000	1	113.9440	0.000	1	113.9440	0.000	1	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:4:2:	4:4:4:1:	4:3:3:	C[6,6a]-3:C[5,5]-4:C[5,6]-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4: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[5,5]C[5,5]N[5]H)(C[5,6]C[5]C[6]H)(OSi)	C[5,6](C[5,6]C[6,6a]C[5,5]O)(C[5]C[5,5]HH)(C[6]C[6]HH)(H)	C[6,6a](C[5,6]C[5,5]C[5,6]O)(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]N[5]H)(C[5,6]C[5]C[6]H)(OSi){1|N<2>,2|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[6,6a]C[5,5]O)(C[5]C[5,5]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,5]C[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,3|C<4>,6|H<1>}	111.7830	0.000	1	111.7830	0.000	1	111.7830	0.000	1	112.7035	1.695	2	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:4:2:	4:4:4:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4: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]C)(OH)	C[5,6](C[5,6]C[6,6a]C[5]O)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6,6a](C[5,6]C[5,6]C[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]C)(OH){1|C<4>,5|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]O)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|C<3>,3|C<4>,5|H<1>}	113.6240	0.000	1	113.6240	0.000	1	113.6240	0.000	1	112.7035	1.695	2	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:4:3:	3:4:2:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:C-3:	C[5,6a]-3:C[5,6]-4:O[6]-2: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]O[6]H)(C[5]C[5,6a]CH)(CHO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]C)(O[6]C[6])(H)	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[5,6a]O[6]H)(C[5]C[5,6a]CH)(CHO){1|C<4>,1|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]C)(O[6]C[6])(H){1|C<4>,1|O<2>,3|H<1>,4|C<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<4>,2|O<2>,3|C<3>,5|H<1>}	110.9820	0.000	1	110.9820	0.000	1	110.9820	0.000	1	110.9820	0.000	1	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:4:3:	3:4:3:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:C-3:	C[5,5a]-3:C[5,6]-4:N[6]-3: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[5,5a]N[6]H)(C[5]C[5,5a]HH)(COO)	C[5,6](C[5,5a]C[5,5a]S[5a])(C[5,6]C[6,6a]C[5]C)(N[6]C[6]C)(H)	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[5,5a]N[6]H)(C[5]C[5,5a]HH)(COO){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	C[5,6](C[5,5a]C[5,5a]S[5a])(C[5,6]C[6,6a]C[5]C)(N[6]C[6]C)(H){1|O<1>,2|H<1>,4|C<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|N<3>,1|O<1>,3|C<3>,5|H<1>}	110.0990	0.000	1	110.0990	0.000	1	110.0990	0.000	1	110.0990	0.000	1	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:4:3:	4:3:3:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:C[6a]-3:	C[5,6]-4:C[5,6a]-3:N[6]-3: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]H)(C[5]C[5,6a]HH)(C[6a]C[6a]2)	C[5,6](C[5,6]C[6,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(N[6]C[6]C)(H)	C[6,6a](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	C[5,6](C[5,6]C[6,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(N[6]C[6]C)(H){1|O<1>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,5|C<3>,5|H<1>}	108.2050	0.000	1	108.2050	0.000	1	108.2050	0.000	1	108.2050	0.000	1	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:4:3:	4:4:1:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:C[6a]-3:	C[5,6]-4:C[5,5,6]-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[5,5,6]HH)(C[5]C[5,5]HH)(C[6a]C[6a]2)	C[5,6](C[5,6]C[6,6a]C[6a]C[5])(C[5,5,6]C[5,5]C[5,6]C)(H)2	C[6,6a](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]HH)(C[5]C[5,5]HH)(C[6a]C[6a]2){2|C<4>,4|H<1>,5|C<3>}	C[5,6](C[5,6]C[6,6a]C[6a]C[5])(C[5,5,6]C[5,5]C[5,6]C)(H)2{4|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|C<4>,4|C<3>,7|H<1>}	105.5160	0.000	1	105.5160	0.000	1	105.5160	0.000	1	105.5160	0.000	1	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:4:3:	4:4:2:2:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[5]-4:O[6]-2:O-2:	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]O)(C[5]C[5]HH)(COO)	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]CH)(O[6]C[6])(OH)	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]O[6]O)(C[5]C[5]HH)(COO){2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]CH)(O[6]C[6])(OH){2|C<3>,6|H<1>}	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>,2|C<4>,2|O<2>,6|H<1>}	112.4970	0.000	1	112.4970	0.000	1	112.4970	0.000	1	112.4970	0.000	1	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:4:4:	4:4:3:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:S-4:	C[5,6]-4:C[6]-4:N[5]-3: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]H)(C[5]C[5]HH)(SC[6a]OO)	C[5,6](C[5,6]C[6,6a]C[5]S)(C[6]C[6]HH)(N[5]C[5]S)(H)	C[6,6a](C[5,6]C[5,6]C[5]S)(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]H)(C[5]C[5]HH)(SC[6a]OO){1|C<4>,1|S<3>,2|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]S)(C[6]C[6]HH)(N[5]C[5]S)(H){2|C<3>,6|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]S)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|F<1>,1|N<3>,2|C<4>,6|H<1>}	115.1470	0.533	2	115.1470	0.284	2	115.1470	0.284	2	115.1470	0.284	2	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:4:4:	4:4:3:2:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6]-4:N[5]-3:C-2:	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[5,6](C[5,6]C[6,6a]C[5]C)(C[6]C[6]HH)(N[5]C[5]C)(CN)	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[5,6](C[5,6]C[6,6a]C[5]C)(C[6]C[6]HH)(N[5]C[5]C)(CN){2|C<3>,6|H<1>}	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>}	110.8440	0.000	1	110.8440	0.000	1	110.8440	0.000	1	110.8440	0.000	1	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:4:4:	4:4:3:4:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	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[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]HH)(C[6]O[6]O)(CH3)	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[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]HH)(C[6]O[6]O)(CH3){2|C<3>,4|H<1>}	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>}	108.4000	0.000	1	108.4000	0.000	1	108.4000	0.000	1	108.4000	0.000	1	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	3:4:4:4:	4:4:4:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[5]-4:C[6]-4: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[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	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[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|Cl<1>,1|N<3>,2|C<3>,4|H<1>}	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>}	111.9430	0.000	1	111.9430	0.000	1	111.9430	0.000	1	111.9430	0.000	1	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	4:3:2:1:	4:4:3:1:	4:3:3:	C[5,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,5,6]2H)(C[5,6]C[6,6a]O[5]H)(C[6]C[6]H)(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5,5,6])(H){2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]2H)(C[5,6]C[6,6a]O[5]H)(C[6]C[6]H)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	117.6530	0.000	1	117.6530	0.000	1	117.6530	0.000	1	117.6530	0.000	1	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	4:3:3:1:	4:3:4:4:	4:3:3:	C[5,6]-4:C[6,6a]-3:N[5]-3:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:C[6]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(N[5]O[5]C)(H)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[6a]C[6a]2)(C[5]O[5]HH)(C[6]O[6]HH)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(N[5]O[5]C)(H){1|O<2>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[6a]C[6a]2)(C[5]O[5]HH)(C[6]O[6]HH){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	113.0320	0.000	1	113.0320	0.000	1	113.0320	0.000	1	113.0320	0.000	1	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	4:3:3:2:	4:3:3:3:	4:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:O[5]-2:	C[5,6]-4:N[6,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6]N[6,6a]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])	C[5,6](C[5,6]C[6,6a]C[6a]O[5])(N[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6,6a](C[5,6]C[5,6]C[6a]O[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6]N[6,6a]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5]){10|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]C[6a]O[5])(N[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){10|C<3>,1|N<2>,1|O<1>,2|H<1>}	C[6,6a](C[5,6]C[5,6]C[6a]O[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,6|C<3>}	112.8710	0.000	1	112.1190	1.131	2	112.1190	1.131	2	112.1190	1.131	2	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	4:3:3:2:	4:3:3:3:	4:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:O[5]-2:	C[5,6]-4:N[6,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6]N[6,6a]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])	C[5,6](C[5,6]C[6,6a]C[6a]O[5])(N[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6,6a](C[5,6]C[5,6]C[6a]O[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6]N[6,6a]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5]){10|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]C[6a]O[5])(N[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){10|C<3>,1|N<2>,1|O<1>,2|H<1>}	C[6,6a](C[5,6]C[5,6]C[6a]O[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,6|C<3>}	111.3670	0.000	1	112.1190	1.131	2	112.1190	1.131	2	112.1190	1.131	2	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	4:3:3:3:	3:4:4:1:	4:3:3:	C[5,6]-4:C[6,6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]2)(C[5,6]C[5]2N[6])(H)	C[6,6a](C[5,6]C[5,6]C[5]2)(C[6,6a]C[6a]N[6])(C[6a]C[6a]O)	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5,6a]O){1|C<4>,1|O<2>,2|N<3>,8|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]2)(C[5,6]C[5]2N[6])(H){2|O<1>,4|H<1>,8|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]2)(C[6,6a]C[6a]N[6])(C[6a]C[6a]O){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	115.0740	0.598	2	115.0740	0.358	2	115.0740	0.358	2	115.0740	0.358	2	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	4:3:4:1:	3:4:4:1:	3:4:3:	C[5,6]-4:C[6,6a]-3:C[5]-4:H-1:	C[5a,6]-3:C[5,6]-4:C[5,5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,6]C[5a,6]C[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]N[5,5]C[6a]H)(H)	C[5,6](C[5a,6]N[5a,6]N[5a])(C[5,6]C[6,6a]C[5]H)(C[5,5]N[5,5]C[5]H)(H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H)	C[5,6](C[5,6]C[5a,6]C[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]N[5,5]C[6a]H)(H){1|N<2>,1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5a,6]N[5a,6]N[5a])(C[5,6]C[6,6a]C[5]H)(C[5,5]N[5,5]C[5]H)(H){1|C<4>,1|S<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	112.7035	0.086	2	112.7035	0.007	2	112.7035	0.007	2	112.7035	0.007	2	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	4:3:4:1:	4:3:3:1:	4:3:3:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,5]C[5,6a]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5]O[5]O)(C[6]O[6]O)(H)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,5]C[5,6a]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>,3|O<1>,4|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5]O[5]O)(C[6]O[6]O)(H){4|C<3>}	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|O<2>,3|H<1>,5|C<3>}	113.5680	0.000	1	113.5680	0.000	1	113.5680	0.000	1	113.5680	0.000	1	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	4:3:4:1:	4:3:4:1:	3:4:3:	C[5,6]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]2O[5])(H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]2O[5])(H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]2H)(C[6a]C[6a]H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]2O[5])(H){10|C<3>,1|H<1>}	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]2O[5])(H){10|C<3>,1|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]2H)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	110.6250	1.430	2	110.6250	2.044	2	110.6250	2.044	2	110.6250	2.044	2	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	4:3:4:1:	4:4:1:1:	4:3:2:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:N[6a]-2:	C[5,6](C[5,5]C[5,6a]C[3x5]O)(C[6,6a]C[6,6a]N[6a])(C[5,6]C[5,5,6]HH)(H)	C[5,6](C[5,5,6]C[3x5]C[5]C[6])(C[5,6]C[6,6a]C[5,5]H)(H)2	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	C[5,6](C[5,5]C[5,6a]C[3x5]O)(C[6,6a]C[6,6a]N[6a])(C[5,6]C[5,5,6]HH)(H){1|C<4>,1|N<3>,6|C<3>}	C[5,6](C[5,5,6]C[3x5]C[5]C[6])(C[5,6]C[6,6a]C[5,5]H)(H)2{1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	108.7340	0.000	1	108.7340	0.000	1	108.7340	0.000	1	108.7340	0.000	1	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	4:3:4:1:	4:4:1:1:	4:3:3:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[6a]N[5]O[6])(H)2	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,6|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[6a]N[5]O[6])(H)2{7|C<3>}	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	106.3030	0.000	1	106.3030	0.000	1	106.7830	0.228	3	106.7830	0.228	3	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	4:3:4:1:	4:4:1:1:	4:3:3:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,5]C[5,6a]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[6a]O[5]O[6])(H)2	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,5]C[5,6a]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,5|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[6a]O[5]O[6])(H)2{6|C<3>}	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	107.2580	0.000	1	107.2580	0.000	1	106.7830	0.228	3	106.7830	0.228	3	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	4:3:4:1:	4:4:1:1:	4:3:3:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,5]C[5,6a]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]O[5]O[6]H)(H)2	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,5]C[5,6a]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]O[5]O[6]H)(H)2{4|C<3>}	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	106.7880	0.000	1	106.7880	0.000	1	106.7830	0.228	3	106.7830	0.228	3	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	4:3:4:1:	4:4:2:1:	3:4:3:	C[5,6]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HO)(H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[5,6]C[6]H)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2H)(C[6a]C[6a]H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HO)(H){1|C<4>,3|H<1>,5|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[5,6]C[6]H)(OH)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2H)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	108.4010	0.000	1	108.4010	0.000	1	108.4010	0.000	1	108.4010	0.000	1	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	4:3:4:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,5]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]H)(H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,5]N[5,5]C[5]H)(C[6]O[6]O)(H)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]H)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,5]N[5,5]C[5]H)(C[6]O[6]O)(H){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	113.3580	0.525	2	113.3580	0.275	2	113.3580	0.275	2	113.3580	0.275	2	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	4:3:4:1:	4:4:3:2:	4:3:3:	C[5,6]-4:C[6,6a]-3:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[6a]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6]C[6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[5]C[5])	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[5,6]C[6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]CH)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[5]C[5]){1|O<1>,4|H<1>,7|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<2>,2|H<1>,5|C<3>}	113.0890	0.000	1	113.0890	0.000	1	113.8955	1.301	2	113.8955	1.301	2	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	4:3:4:1:	4:4:3:2:	4:3:3:	C[5,6]-4:C[6,6a]-3:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[6a]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6]C[6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[5]C[5])	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[5,6]C[6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(H){1|N<3>,4|H<1>,5|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[5]C[5]){6|C<3>,7|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	114.7020	0.000	1	114.7020	0.000	1	113.8955	1.301	2	113.8955	1.301	2	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	4:3:4:1:	4:4:3:3:	4:3:3:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:N-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6]C[6a]O[6]H)(C[5]N[5]S)(NOO)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(H){1|N<3>,1|O<1>,1|O<2>,1|S<1>,3|H<1>,5|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6]C[6a]O[6]H)(C[5]N[5]S)(NOO){1|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|N<3>,4|C<3>}	113.6460	0.429	2	113.6460	0.184	2	113.6460	0.184	2	113.6460	0.184	2	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	4:3:4:1:	4:4:4:1:	3:4:3:	C[5,6]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2H)(C[6a]C[6a]H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H){1|O<2>,5|H<1>,6|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|H<1>,2|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2H)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	116.7180	0.000	1	116.7180	0.000	1	116.7180	0.000	1	116.7180	0.000	1	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	4:3:4:1:	4:4:4:1:	4:3:3:	N[5,5,6]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](N[5,5,6]C[5,5,6]N[5,5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H)	C[5,6](C[5,6]N[5,5,6]C[6,6a]H)(C[5]N[5,5,6]CC)(C[6]O[6]HH)(H)	C[6,6a](C[5,6]N[5,5,6]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](N[5,5,6]C[5,5,6]N[5,5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	C[5,6](C[5,6]N[5,5,6]C[6,6a]H)(C[5]N[5,5,6]CC)(C[6]O[6]HH)(H){1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[5,6]N[5,5,6]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	114.4040	0.000	1	114.4040	0.000	1	114.4040	0.000	1	114.4040	0.000	1	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	4:3:4:1:	4:4:4:2:	4:3:3:	C[3x5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[3x5]C[3x5]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O)(H)	C[5,6](C[5,6]C[6,6a]C[3x5]H)(C[5]C[3x5]HH)(C[6]O[6]HH)(OH)	C[6,6a](C[5,6]C[3x5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[3x5]C[3x5]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O)(H){1|C<4>,2|O<2>,4|C<3>,7|H<1>}	C[5,6](C[5,6]C[6,6a]C[3x5]H)(C[5]C[3x5]HH)(C[6]O[6]HH)(OH){2|C<3>,2|C<4>,2|O<2>}	C[6,6a](C[5,6]C[3x5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|O<2>,4|C<4>}	111.6575	1.821	2	111.6575	3.315	2	111.6575	3.315	2	111.6575	3.315	2	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	4:3:4:1:	4:4:4:3:	4:3:3:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,5]-4:C[6]-4:N-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,5]C[5,6a]2N[5,5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]N)(H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,5]N[5,5]C[5]H)(C[6]C[6]O[6]H)(NOO)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,5]C[5,6a]2N[5,5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]N)(H){1|N<2>,1|O<2>,3|C<4>,3|H<1>,5|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,5]N[5,5]C[5]H)(C[6]C[6]O[6]H)(NOO){1|O<2>,3|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,2|N<3>,3|C<3>}	114.7120	0.000	1	114.7120	0.000	1	114.0122	0.802	4	113.8311	0.397	9	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	4:3:4:1:	4:4:4:3:	4:3:3:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,5]-4:C[6]-4:N-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,5]C[5,6a]2N[5,5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]N)(H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,5]N[5,5]C[5]H)(C[6]C[6a]O[6]H)(NOO)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,5]C[5,6a]2N[5,5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]N)(H){1|N<2>,1|O<2>,2|C<4>,3|H<1>,6|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,5]N[5,5]C[5]H)(C[6]C[6a]O[6]H)(NOO){1|C<4>,1|S<2>,2|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,2|N<3>,3|C<3>}	112.7650	0.000	1	112.7650	0.000	1	114.0122	0.802	4	113.8311	0.397	9	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	4:3:4:1:	4:4:4:3:	4:3:3:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,5]-4:C[6]-4:N-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]N)(H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,5]N[5,5]C[5]H)(C[6]C[5]O[6]H)(NOO)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]N)(H){1|O<1>,1|O<2>,3|C<4>,3|H<1>,5|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,5]N[5,5]C[5]H)(C[6]C[5]O[6]H)(NOO){1|Fe<10>,1|S<2>,2|H<1>,3|C<4>,4|C<3>}	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,2|N<3>,3|C<3>}	113.9610	0.000	1	113.9610	0.000	1	114.0122	0.802	4	113.8311	0.397	9	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	4:3:4:1:	4:4:4:3:	4:3:3:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,5]-4:C[6]-4:N-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]N)(H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,5]N[5,5]C[5]H)(C[6]C[6a]O[6]H)(NOO)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]N)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,6|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,5]N[5,5]C[5]H)(C[6]C[6a]O[6]H)(NOO){1|C<4>,1|S<2>,2|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,2|N<3>,3|C<3>}	114.6110	0.000	1	114.6110	0.000	1	114.0122	0.802	4	113.8311	0.397	9	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	4:3:4:1:	4:4:4:3:	4:3:3:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:N-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,5]C[5,6a]N[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]N)(H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]N[5,6]C[6]H)(C[6]C[6a]O[6]H)(NOO)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,5]C[5,6a]N[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]N)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>,5|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]N[5,6]C[6]H)(C[6]C[6a]O[6]H)(NOO){2|C<4>,2|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,2|N<3>,3|C<3>}	113.6055	0.200	2	113.5127	0.046	3	113.5127	0.046	3	113.8311	0.397	9	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	4:3:4:1:	4:4:4:3:	4:3:3:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:N-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,5]C[5,6a]N[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]N)(H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]N[5,6]C[6]H)(C[6]C[6a]O[6]H)(NOO)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,5]C[5,6a]N[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]N)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,6|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]N[5,6]C[6]H)(C[6]C[6a]O[6]H)(NOO){2|C<4>,2|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,2|N<3>,3|C<3>}	113.3270	0.000	1	113.5127	0.046	3	113.5127	0.046	3	113.8311	0.397	9	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	4:3:4:1:	4:4:4:3:	4:3:3:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:N-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5]C[6a]N[5]H)(C[6]O[6]HH)(NOO)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(H){1|N<3>,1|O<1>,1|O<2>,5|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5]C[6a]N[5]H)(C[6]O[6]HH)(NOO){1|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,2|N<3>,3|C<3>}	113.6180	0.000	1	113.6180	0.000	1	113.6180	0.000	1	113.8311	0.397	9	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	4:3:4:1:	4:4:4:3:	4:3:3:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:N-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6]C[6a]O[6]H)(C[5]N[5]HH)(NOO)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6]C[6a]O[6]H)(C[5]N[5]HH)(NOO){1|C<4>,6|C<3>}	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,2|N<3>,3|C<3>}	114.2750	0.000	1	114.2750	0.000	1	114.2750	0.000	1	113.8311	0.397	9	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	4:3:4:3:	3:4:3:4:	4:3:3:	C[5,6]-4:C[6,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:C-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)	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[6,6a](C[5,6]C[5,6]C[5]2)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|N<2>,1|N<3>,3|H<1>,4|C<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){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]2)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	108.0700	0.000	1	108.0700	0.000	1	108.0700	0.000	1	108.0700	0.000	1	112.5687	6.801	379	112.5019	8.114	563
474	474	643	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[6,6a]	4:3:4:3:	3:4:4:4:	4:3:3:	C[5,6]-4:C[6,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)	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[6,6a](C[5,6]C[5,6]C[5]2)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,2|N<3>,4|C<3>,4|H<1>}	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[6,6a](C[5,6]C[5,6]C[5]2)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,5|H<1>}	108.5140	0.000	1	108.5140	0.000	1	108.5140	0.000	1	108.5140	0.000	1	112.5687	6.801	379	112.5019	8.114	563