474	474	654	5:SP3_SP3_SP3	C[5,5]	C[5,5]	B[3,5]	4:4:4:1:	4:4:4:1:	4:4:3:3:	B[3,5]-4:C[5,5]-4:P[5]-4:H-1:	C[5,5]-4:B[5]-4:C[5]-4:H-1:	C[5,5]-4:C[3]-4:O[3,5]-3:C[6a]-3:	C[5,5](B[3,5]O[3,5]C[6a]C[3])(C[5,5]B[5]C[5]H)(P[5]C[6a]2C[5])(H)	C[5,5](C[5,5]B[3,5]P[5]H)(B[5]O[3,5]C[6a]2)(C[5]C[5]CH)(H)	B[3,5](C[5,5]C[5,5]P[5]H)(C[3]O[3,5]C[6a]H)(O[3,5]B[5]C[3])(C[6a]C[6a]2)	C[5,5](B[3,5]O[3,5]C[6a]C[3])(C[5,5]B[5]C[5]H)(P[5]C[6a]2C[5])(H){1|C<4>,4|H<1>,9|C<3>}	C[5,5](C[5,5]B[3,5]P[5]H)(B[5]O[3,5]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,2|H<1>,7|C<3>}	B[3,5](C[5,5]C[5,5]P[5]H)(C[3]O[3,5]C[6a]H)(O[3,5]B[5]C[3])(C[6a]C[6a]2){1|H<1>,2|C<4>,2|F<1>,8|C<3>}	105.8000	0.000	1	105.8000	0.000	1	105.8000	0.000	1	105.8000	0.000	1	105.8000	0.000	1	104.5950	2.904	2
474	474	654	5:SP3_SP3_SP3	C[5]	C[5]	B[3,5]	4:4:4:1:	3:4:1:1:	5:4:3:4:	B[3,5]-4:C[5]-4:C-4:H-1:	C[5]-3:C[5]-4:H-1:H-1:	B[3]-5:C[3,5]-4:C[6a]-3:C[5]-4:	C[5](B[3,5]C[3,5]C[6a]B[3])(C[5]C[5]HH)(CC[6a]HH)(H)	C[5](C[5]C[3,5]N[6])(C[5]B[3,5]CH)(H)2	B[3,5](B[3]C[3,5]C[6a]2H)(C[3,5]B[3]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)	C[5](B[3,5]C[3,5]C[6a]B[3])(C[5]C[5]HH)(CC[6a]HH)(H){1|N<3>,2|H<1>,4|C<3>}	C[5](C[5]C[3,5]N[6])(C[5]B[3,5]CH)(H)2{1|B<5>,1|C<3>,1|H<1>,2|C<4>}	B[3,5](B[3]C[3,5]C[6a]2H)(C[3,5]B[3]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH){1|N<3>,2|F<1>,2|H<1>,6|C<3>}	103.3900	0.000	1	103.3900	0.000	1	103.3900	0.000	1	103.3900	0.000	1	103.3900	0.000	1	104.5950	2.904	2
474	474	658	0:SP3_SP3_SP3	C[5,6,6]	C[5,5,6]	Si[6]	4:4:4:1:	4:4:4:1:	4:4:3:3:	C[5,6,6]-4:C[5,5,6]-4:Si[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[6]-4:C[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)(Si[6]C[6a]2C[6])(H)	C[5,5,6](C[5,6,6]C[5,6,6]Si[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	Si[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2)2	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[5,5,6](C[5,6,6]C[5,6,6]Si[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	Si[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2)2{3|C<4>,6|C<3>,6|H<1>}	116.2950	0.000	1	116.2950	0.000	1	116.2950	0.000	1	116.2950	0.000	1	116.2950	0.000	1	113.5769	3.999	7
474	474	658	0:SP3_SP3_SP3	C[5]	C[5]	Si[6]	4:4:4:1:	4:4:1:1:	4:2:2:2:	Si[6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[6]-2:O[6]-2:O-2:	C[5](Si[6]O[6]2O)(C[5]C[5]HH)2(H)	C[5](C[5]Si[6]C[5]H)(C[5]C[5]HH)(H)2	Si[6](C[5]C[5]2H)(O[6]Si[6])2(OSi[6])	C[5](Si[6]O[6]2O)(C[5]C[5]HH)2(H){2|Si<4>,4|H<1>}	C[5](C[5]Si[6]C[5]H)(C[5]C[5]HH)(H)2{3|O<2>,4|H<1>}	Si[6](C[5]C[5]2H)(O[6]Si[6])2(OSi[6]){3|O<2>,4|C<4>,4|H<1>}	113.1238	1.754	6	113.1238	3.075	6	113.1238	3.075	6	113.1238	3.075	6	113.1238	3.075	6	113.5769	3.999	7
474	474	658	6:SP3_SP3_SP3	C[5,6,6]	C[5,6,6]	Si[6]	4:4:4:1:	4:4:3:1:	4:4:3:3:	C[5,6,6]-4:C[5,5,6]-4:Si[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[6]-4:C[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)(Si[6]C[6a]2C[6])(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)	Si[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2)2	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[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>}	Si[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2)2{3|C<4>,6|C<3>,6|H<1>}	115.8520	0.000	1	115.8520	0.000	1	115.8520	0.000	1	115.8520	0.000	1	115.8520	0.000	1	115.3620	0.480	2
474	474	658	6:SP3_SP3_SP3	C[5,6]	C[5,6]	Si[6]	4:4:3:1:	4:4:4:1:	4:3:4:4:	C[5,6]-4:Si[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]H)(Si[6]C[6a]C[6]C)(C[5]O[5]O)(H)	C[5,6](C[5,6]Si[6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(H)	Si[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5]C[6]H)(Si[6]C[6a]C[6]C)(C[5]O[5]O)(H){1|C<4>,2|C<3>,6|H<1>}	C[5,6](C[5,6]Si[6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	Si[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	114.8720	0.000	1	114.8720	0.000	1	114.8720	0.000	1	114.8720	0.000	1	114.8720	0.000	1	115.3620	0.480	2
474	474	714	0:SP3_SP3_SPD5	C[5]	C[5]	S[4,5,5]	5:4:4:1:	4:3:4:1:	6:5:4:1:1:	S[4,5,5]-5:C[5]-4:C[5]-4:H-1:	C[5]-4:N[4,5]-3:C[5]-4:H-1:	C[3x3,4,5,5]-6:C[4x4,5,5]-5:C[5]-4:O-1:O-1:	C[5](S[4,5,5]C[3x3,4,5,5]C[4x4,5,5]OO)(C[5]N[4,5]C[5]H)(C[5]C[4,5]CH)(H)	C[5](C[5]S[4,5,5]C[5]H)(N[4,5]C[4,5]C[4])(C[5]C[5]O[5]H)(H)	S[4,5,5](C[3x3,4,5,5]C[3x3,3x4,5,5]C[3,3x4,4x5]H[3]2H)(C[4x4,5,5]C[3x3,3x4,5,5]H[4,4,5]2H)(C[5]C[5]2H)(O)2	C[5](S[4,5,5]C[3x3,4,5,5]C[4x4,5,5]OO)(C[5]N[4,5]C[5]H)(C[5]C[4,5]CH)(H){1|C<3>,1|C<6>,1|C<7>,1|O<2>,2|C<4>,4|H<1>,4|H<2>}	C[5](C[5]S[4,5,5]C[5]H)(N[4,5]C[4,5]C[4])(C[5]C[5]O[5]H)(H){1|C<5>,1|C<6>,1|O<2>,3|H<1>,3|O<1>,4|C<4>}	S[4,5,5](C[3x3,4,5,5]C[3x3,3x4,5,5]C[3,3x4,4x5]H[3]2H)(C[4x4,5,5]C[3x3,3x4,5,5]H[4,4,5]2H)(C[5]C[5]2H)(O)2{1|C<6>,1|N<3>,4|C<4>,4|H<1>}	113.1040	0.000	1	113.1040	0.000	1	113.1040	0.000	1	113.1040	0.000	1	111.5145	5.053	2	111.5145	5.053	2
474	474	714	0:SP3_SP3_SPD5	C[5]	C[5]	S[4,5,5]	5:4:4:1:	4:4:4:1:	6:5:4:1:1:	S[4,5,5]-5:C[5]-4:C[5]-4:H-1:	C[4,5]-4:C[5]-4:C-4:H-1:	C[3x3,4,5,5]-6:C[4x4,5,5]-5:C[5]-4:O-1:O-1:	C[5](S[4,5,5]C[3x3,4,5,5]C[4x4,5,5]OO)(C[5]N[4,5]C[5]H)(C[5]C[4,5]CH)(H)	C[5](C[4,5]N[4,5]C[4]H)(C[5]S[4,5,5]C[5]H)(CC[6a]HH)(H)	S[4,5,5](C[3x3,4,5,5]C[3x3,3x4,5,5]C[3,3x4,4x5]H[3]2H)(C[4x4,5,5]C[3x3,3x4,5,5]H[4,4,5]2H)(C[5]C[5]2H)(O)2	C[5](S[4,5,5]C[3x3,4,5,5]C[4x4,5,5]OO)(C[5]N[4,5]C[5]H)(C[5]C[4,5]CH)(H){1|C<3>,1|C<6>,1|C<7>,1|O<2>,2|C<4>,4|H<1>,4|H<2>}	C[5](C[4,5]N[4,5]C[4]H)(C[5]S[4,5,5]C[5]H)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|C<5>,1|C<6>,1|O<2>,2|H<1>,2|O<1>}	S[4,5,5](C[3x3,4,5,5]C[3x3,3x4,5,5]C[3,3x4,4x5]H[3]2H)(C[4x4,5,5]C[3x3,3x4,5,5]H[4,4,5]2H)(C[5]C[5]2H)(O)2{1|C<6>,1|N<3>,4|C<4>,4|H<1>}	109.9250	0.000	1	109.9250	0.000	1	109.9250	0.000	1	109.9250	0.000	1	111.5145	5.053	2	111.5145	5.053	2
474	474	727	0:SP3_SP2_SP3	C[3x5,6,6]	C[5,3x6]	C[5,6a]	4:4:3:4:	4:4:3:1:	4:3:3:	C[5,5,3x6]-4:C[5,3x6]-4:C[5,6a]-3:C[5,5]-4:	C[3x5,6,6]-4:C[4x6]-4:N[5,6]-3:H-1:	C[3x5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[3x5,6,6](C[5,5,3x6]C[5,6,6]C[6,6]N[5])(C[5,3x6]C[4x6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)	C[5,3x6](C[3x5,6,6]C[5,5,3x6]C[5,6a]C[5,5])(C[4x6]C[6,6]2C[6])(N[5,6]C[5]C[6])(H)	C[5,6a](C[3x5,6,6]C[5,5,3x6]C[5,3x6]C[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3x5,6,6](C[5,5,3x6]C[5,6,6]C[6,6]N[5])(C[5,3x6]C[4x6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H){1|O<1>,1|O<2>,3|C<3>,4|C<4>,5|H<1>}	C[5,3x6](C[3x5,6,6]C[5,5,3x6]C[5,6a]C[5,5])(C[4x6]C[6,6]2C[6])(N[5,6]C[5]C[6])(H){11|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[5,6a](C[3x5,6,6]C[5,5,3x6]C[5,3x6]C[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|C<4>,4|H<1>}	120.6950	0.000	1	120.6950	0.000	1	120.6950	0.000	1	120.6950	0.000	1	120.6950	0.000	1	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[3x5,6,6]	C[5,5]	C[5,6a]	4:4:3:4:	4:3:4:1:	4:3:3:	C[5,5,3x6]-4:C[5,3x6]-4:C[5,6a]-3:C[5,5]-4:	C[3x5,6,6]-4:C[5]-3:C[5]-4:H-1:	C[3x5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[3x5,6,6](C[5,5,3x6]C[5,6,6]C[6,6]N[5])(C[5,3x6]C[4x6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)	C[5,5](C[3x5,6,6]C[5,5,3x6]C[5,3x6]C[5,6a])(C[5]C[5,6,6]O)(C[5]N[5,6]HH)(H)	C[5,6a](C[3x5,6,6]C[5,5,3x6]C[5,3x6]C[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3x5,6,6](C[5,5,3x6]C[5,6,6]C[6,6]N[5])(C[5,3x6]C[4x6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H){1|O<1>,1|O<2>,3|C<3>,4|C<4>,5|H<1>}	C[5,5](C[3x5,6,6]C[5,5,3x6]C[5,3x6]C[5,6a])(C[5]C[5,6,6]O)(C[5]N[5,6]HH)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,4|C<4>}	C[5,6a](C[3x5,6,6]C[5,5,3x6]C[5,3x6]C[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|C<4>,4|H<1>}	112.2930	0.000	1	112.2930	0.000	1	112.2930	0.000	1	112.2930	0.000	1	112.2930	0.000	1	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[3x5,6]	C[3x5,6,6]	C[5,6a]	4:4:3:4:	4:4:3:2:	4:3:3:	C[3x5,6,6]-4:C[5,5,6]-4:C[5,6a]-3:C[5]-4:	C[3x5,6]-4:C[5,6,6]-4:N[5,6]-3:O[5,5]-2:	C[3x5,6]-4:C[5,6a]-3:C[6a]-3:	C[3x5,6](C[3x5,6,6]C[5,6,6]N[5,6]O[5,5])(C[5,5,6]C[5,5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[3x5,6,6](C[3x5,6]C[5,5,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(O[5,5]C[5,5,6])	C[5,6a](C[3x5,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3x5,6](C[3x5,6,6]C[5,6,6]N[5,6]O[5,5])(C[5,5,6]C[5,5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){3|H<1>,4|C<3>,4|C<4>}	C[3x5,6,6](C[3x5,6]C[5,5,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(O[5,5]C[5,5,6]){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,8|H<1>}	C[5,6a](C[3x5,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,4|C<4>,5|H<1>}	120.9155	0.650	4	120.9682	0.304	11	120.5581	2.295	12	120.5581	2.295	12	120.5581	2.295	12	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[3x5,6]	C[3x5,6,6]	C[5,6a]	4:4:3:4:	4:4:3:2:	4:3:3:	C[3x5,6,6]-4:C[5,5,6]-4:C[5,6a]-3:C[5]-4:	C[3x5,6]-4:C[5,6,6]-4:N[5,6]-3:O[5,5]-2:	C[3x5,6]-4:C[5,6a]-3:C[6a]-3:	C[3x5,6](C[3x5,6,6]C[5,6,6]N[5,6]O[5,5])(C[5,5,6]C[5,5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[3x5,6,6](C[3x5,6]C[5,5,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(O[5,5]C[5,5,6])	C[5,6a](C[3x5,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3x5,6](C[3x5,6,6]C[5,6,6]N[5,6]O[5,5])(C[5,5,6]C[5,5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){3|H<1>,4|C<3>,4|C<4>}	C[3x5,6,6](C[3x5,6]C[5,5,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(O[5,5]C[5,5,6]){1|C<4>,1|N<3>,1|O<1>,3|C<3>,9|H<1>}	C[5,6a](C[3x5,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,4|C<4>,5|H<1>}	120.0390	0.000	1	120.9682	0.304	11	120.5581	2.295	12	120.5581	2.295	12	120.5581	2.295	12	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[3x5,6]	C[3x5,6,6]	C[5,6a]	4:4:3:4:	4:4:3:2:	4:3:3:	C[3x5,6,6]-4:C[5,5,6]-4:C[5,6a]-3:C[5]-4:	C[3x5,6]-4:C[5,6,6]-4:N[5,6]-3:O[5,5]-2:	C[3x5,6]-4:C[5,6a]-3:C[6a]-3:	C[3x5,6](C[3x5,6,6]C[5,6,6]N[5,6]O[5,5])(C[5,5,6]C[5,5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[3x5,6,6](C[3x5,6]C[5,5,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(O[5,5]C[5,5,6])	C[5,6a](C[3x5,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3x5,6](C[3x5,6,6]C[5,6,6]N[5,6]O[5,5])(C[5,5,6]C[5,5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){3|H<1>,4|C<3>,4|C<4>}	C[3x5,6,6](C[3x5,6]C[5,5,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(O[5,5]C[5,5,6]){1|C<4>,1|N<3>,1|O<1>,3|C<3>,9|H<1>}	C[5,6a](C[3x5,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|Br<1>,1|C<3>,1|N<3>,1|O<2>,3|H<1>,4|C<4>}	121.2430	0.000	1	120.9682	0.304	11	120.5581	2.295	12	120.5581	2.295	12	120.5581	2.295	12	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[3x5,6]	C[3x5,6,6]	C[5,6a]	4:4:3:4:	4:4:3:2:	4:3:3:	C[3x5,6,6]-4:C[5,5,6]-4:C[5,6a]-3:C[5]-4:	C[3x5,6]-4:C[5,6,6]-4:N[5,6]-3:O[5,5]-2:	C[3x5,6]-4:C[5,6a]-3:C[6a]-3:	C[3x5,6](C[3x5,6,6]C[5,6,6]N[5,6]O[5,5])(C[5,5,6]C[5,5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[3x5,6,6](C[3x5,6]C[5,5,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(O[5,5]C[5,5,6])	C[5,6a](C[3x5,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3x5,6](C[3x5,6,6]C[5,6,6]N[5,6]O[5,5])(C[5,5,6]C[5,5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){3|H<1>,4|C<3>,4|C<4>}	C[3x5,6,6](C[3x5,6]C[5,5,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(O[5,5]C[5,5,6]){1|C<4>,1|N<3>,1|O<1>,4|C<3>,8|H<1>}	C[5,6a](C[3x5,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,4|C<4>,5|H<1>}	121.5510	0.284	2	120.9682	0.304	11	120.5581	2.295	12	120.5581	2.295	12	120.5581	2.295	12	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[3x5,6]	C[3x5,6,6]	C[5,6a]	4:4:3:4:	4:4:3:2:	4:3:3:	C[3x5,6,6]-4:C[5,5,6]-4:C[5,6a]-3:C[5]-4:	C[3x5,6]-4:C[5,6,6]-4:N[5,6]-3:O[5,5]-2:	C[3x5,6]-4:C[5,6a]-3:C[6a]-3:	C[3x5,6](C[3x5,6,6]C[5,6,6]N[5,6]O[5,5])(C[5,5,6]C[5,5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[3x5,6,6](C[3x5,6]C[5,5,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(O[5,5]C[5,5,6])	C[5,6a](C[3x5,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3x5,6](C[3x5,6,6]C[5,6,6]N[5,6]O[5,5])(C[5,5,6]C[5,5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){3|H<1>,4|C<3>,4|C<4>}	C[3x5,6,6](C[3x5,6]C[5,5,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(O[5,5]C[5,5,6]){1|C<4>,1|N<3>,1|S<1>,3|C<3>,9|H<1>}	C[5,6a](C[3x5,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,4|C<4>,5|H<1>}	120.8680	0.129	3	120.9682	0.304	11	120.5581	2.295	12	120.5581	2.295	12	120.5581	2.295	12	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[3x5,6]	C[3x5,6,6]	C[5,6a]	4:4:3:4:	4:4:3:2:	4:3:3:	C[3x5,6,6]-4:C[5,5,6]-4:C[5,6a]-3:C[5]-4:	C[3x5,6]-4:C[5,6,6]-4:N[5,6]-3:O[5,5]-2:	C[3x5,6]-4:C[5,6a]-3:C[6a]-3:	C[3x5,6](C[3x5,6,6]C[5,6,6]N[5,6]O[5,5])(C[5,5,6]C[5,5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[3x5,6,6](C[3x5,6]C[5,5,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[6]H)(N[5,6]C[5]C[6])(O[5,5]C[5,5,6])	C[5,6a](C[3x5,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3x5,6](C[3x5,6,6]C[5,6,6]N[5,6]O[5,5])(C[5,5,6]C[5,5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	C[3x5,6,6](C[3x5,6]C[5,5,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[6]H)(N[5,6]C[5]C[6])(O[5,5]C[5,5,6]){1|C<4>,1|N<3>,1|O<1>,3|C<3>,9|H<1>}	C[5,6a](C[3x5,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	116.0470	0.000	1	116.0470	0.000	1	120.5581	2.295	12	120.5581	2.295	12	120.5581	2.295	12	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[3x5,6]	C[5,5]	C[5,6a]	3:3:3:4:	4:4:4:1:	4:3:3:	C[5,6,6a]-3:C[5,6a]-3:N[5,5,6]-3:C[5,5]-4:	C[3x5,6]-4:C[5,5,6]-4:C-4:H-1:	C[3x5,6]-4:C[5,6a]-3:C[6a]-3:	C[3x5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(N[5,5,6]C[5,6]S[5])(C[5,5]C[5,5,6]CH)	C[5,5](C[3x5,6]C[5,6,6a]N[5,5,6]C[5,6a])(C[5,5,6]C[5,6,6a]C[5,6]C)(CH3)(H)	C[5,6a](C[3x5,6]C[5,6,6a]N[5,5,6]C[5,5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[3x5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(N[5,5,6]C[5,6]S[5])(C[5,5]C[5,5,6]CH){2|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[5,5](C[3x5,6]C[5,6,6a]N[5,5,6]C[5,6a])(C[5,5,6]C[5,6,6a]C[5,6]C)(CH3)(H){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	C[5,6a](C[3x5,6]C[5,6,6a]N[5,5,6]C[5,5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|O<1>,3|C<3>,3|C<4>,3|H<1>}	119.6900	0.000	1	119.6900	0.000	1	119.6900	0.000	1	119.6900	0.000	1	119.6900	0.000	1	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[3x5,6]	C[5]	C[5,5a,6]	3:4:4:4:	4:4:1:1:	4:3:3:	C[5,5a,6]-3:C[3x5]-4:C[5,6]-4:C[5]-4:	C[3x5,6]-4:C[5]-4:H-1:H-1:	C[3x5,6]-4:C[5,5a,6]-3:C[5a]-3:	C[3x5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[3x5]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)	C[5](C[3x5,6]C[5,5a,6]C[3x5]C[5,6])(C[5]C[5]HH)(H)2	C[5,5a,6](C[3x5,6]C[3x5]C[5,6]C[5])(C[5,5a,6]C[5,5,6]C[5a])(C[5a]N[5a]H)	C[3x5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[3x5]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH){1|N<3>,3|C<3>,6|H<1>}	C[5](C[3x5,6]C[5,5a,6]C[3x5]C[5,6])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,5|H<1>}	C[5,5a,6](C[3x5,6]C[3x5]C[5,6]C[5])(C[5,5a,6]C[5,5,6]C[5a])(C[5a]N[5a]H){1|C<3>,1|S<4>,3|C<4>,6|H<1>}	116.3365	0.409	2	116.3365	0.168	2	116.3365	0.168	2	116.3365	0.168	2	116.3365	0.168	2	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[3x5,6]	C[5]	C[5,6,6a]	3:4:2:4:	4:4:1:1:	4:3:3:	C[5,6,6a]-3:C[5,5,6]-4:O[5,5]-2:C[5]-4:	C[3x5,6]-4:C[5]-4:H-1:H-1:	C[3x5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[3x5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5]C[5]HH)	C[5](C[3x5,6]C[5,6,6a]C[5,5,6]O[5,5])(C[5]C[5]HH)(H)2	C[5,6,6a](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[3x5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5]C[5]HH){1|C<4>,2|C<3>,7|H<1>}	C[5](C[3x5,6]C[5,6,6a]C[5,5,6]O[5,5])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,6,6a](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<3>,4|C<4>,5|H<1>}	126.0465	0.839	2	126.0465	0.704	2	126.0465	0.704	2	126.0465	0.704	2	126.0465	0.704	2	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[3x5,6]	C[5]	C[5,6a]	4:4:3:4:	4:3:1:1:	4:3:3:	C[3x5,6,6]-4:C[5,5,6]-4:C[5,6a]-3:C[5]-4:	C[3x5,6]-4:C[5]-3:H-1:H-1:	C[3x5,6]-4:C[5,6a]-3:C[6a]-3:	C[3x5,6](C[3x5,6,6]C[5,6,6]N[5,6]O[5,5])(C[5,5,6]C[5,5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5](C[3x5,6]C[3x5,6,6]C[5,5,6]C[5,6a])(C[5]N[5,6]O)(H)2	C[5,6a](C[3x5,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3x5,6](C[3x5,6,6]C[5,6,6]N[5,6]O[5,5])(C[5,5,6]C[5,5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	C[5](C[3x5,6]C[3x5,6,6]C[5,5,6]C[5,6a])(C[5]N[5,6]O)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,3|C<4>}	C[5,6a](C[3x5,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	114.2950	0.000	1	114.2950	0.000	1	114.2950	0.000	1	114.2950	0.000	1	114.2938	0.446	12	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[3x5,6]	C[5]	C[5,6a]	4:4:3:4:	4:4:1:1:	4:3:3:	C[3x5,6,6]-4:C[5,5,6]-4:C[5,6a]-3:C[5]-4:	C[3x5,6]-4:C[5]-4:H-1:H-1:	C[3x5,6]-4:C[5,6a]-3:C[6a]-3:	C[3x5,6](C[3x5,6,6]C[5,6,6]N[5,6]O[5,5])(C[5,5,6]C[5,5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5](C[3x5,6]C[3x5,6,6]C[5,5,6]C[5,6a])(C[5]N[5,6]HH)(H)2	C[5,6a](C[3x5,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3x5,6](C[3x5,6,6]C[5,6,6]N[5,6]O[5,5])(C[5,5,6]C[5,5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){3|H<1>,4|C<3>,4|C<4>}	C[5](C[3x5,6]C[3x5,6,6]C[5,5,6]C[5,6a])(C[5]N[5,6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[3x5,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,4|C<4>,5|H<1>}	114.3218	0.732	10	114.2936	0.491	11	114.2936	0.491	11	114.2936	0.491	11	114.2938	0.446	12	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[3x5,6]	C[5]	C[5,6a]	4:4:3:4:	4:4:1:1:	4:3:3:	C[3x5,6,6]-4:C[5,5,6]-4:C[5,6a]-3:C[5]-4:	C[3x5,6]-4:C[5]-4:H-1:H-1:	C[3x5,6]-4:C[5,6a]-3:C[6a]-3:	C[3x5,6](C[3x5,6,6]C[5,6,6]N[5,6]O[5,5])(C[5,5,6]C[5,5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5](C[3x5,6]C[3x5,6,6]C[5,5,6]C[5,6a])(C[5]N[5,6]HH)(H)2	C[5,6a](C[3x5,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3x5,6](C[3x5,6,6]C[5,6,6]N[5,6]O[5,5])(C[5,5,6]C[5,5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){3|H<1>,4|C<3>,4|C<4>}	C[5](C[3x5,6]C[3x5,6,6]C[5,5,6]C[5,6a])(C[5]N[5,6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[3x5,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|Br<1>,1|C<3>,1|N<3>,1|O<2>,3|H<1>,4|C<4>}	114.0120	0.000	1	114.2936	0.491	11	114.2936	0.491	11	114.2936	0.491	11	114.2938	0.446	12	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[3x5]	C[5,5,6]	C[5,6a]	4:3:4:3:	4:4:4:3:	3:4:3:	C[5,5,6]-4:C[5,6a]-3:C[5,5]-4:N[5]-3:	C[3x5]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[5,6a,6a]-3:C[3x5]-4:C[6a]-3:	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5,6]O)(N[5]C[5]C)	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[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[3x5]C[5,5,6]C[5,5]N[5])(C[6a]C[6a]H)	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5,6]O)(N[5]C[5]C){1|O<1>,6|C<3>,7|H<1>}	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[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[3x5]C[5,5,6]C[5,5]N[5])(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>,5|C<4>}	118.3390	0.000	1	118.3390	0.000	1	118.6813	1.035	6	118.6813	1.035	6	118.3283	0.991	10	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[3x5]	C[5,5,6]	C[5,6a]	4:3:4:3:	4:4:4:3:	3:4:3:	C[5,5,6]-4:C[5,6a]-3:C[5,5]-4:N[5]-3:	C[3x5]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[5,6a,6a]-3:C[3x5]-4:C[6a]-3:	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5,6]O)(N[5]C[5]C)	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[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[3x5]C[5,5,6]C[5,5]N[5])(C[6a]C[6a]H)	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5,6]O)(N[5]C[5]C){1|C<4>,1|O<1>,5|C<3>,6|H<1>}	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[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[3x5]C[5,5,6]C[5,5]N[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,4|C<3>,4|C<4>}	118.8205	1.186	2	118.8205	1.406	2	118.6813	1.035	6	118.6813	1.035	6	118.3283	0.991	10	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[3x5]	C[5,5,6]	C[5,6a]	4:3:4:3:	4:4:4:3:	3:4:3:	C[5,5,6]-4:C[5,6a]-3:C[5,5]-4:N[5]-3:	C[3x5]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[5,6a,6a]-3:C[3x5]-4:C[6a]-3:	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5,6]O)(N[5]C[5]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[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[3x5]C[5,5,6]C[5,5]N[5])(C[6a]C[6a]H)	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5,6]O)(N[5]C[5]H){1|C<4>,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[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[3x5]C[5,5,6]C[5,5]N[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<4>,4|C<3>}	118.7027	1.344	3	118.7027	1.805	3	118.6813	1.035	6	118.6813	1.035	6	118.3283	0.991	10	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[3x5]	C[5,5,6]	C[5,6a]	4:3:4:3:	4:4:4:3:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[5,5]-4:N[5,5]-3:	C[3x5]-4:C[5]-4:C[5,6]-4:C[6]-3:	C[3x5]-4:C[5,6a,6a]-3:C[6a]-3:	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5,6]O)(N[5,5]C[5,5]C[5])	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[5,6a](C[3x5]C[5,5,6]C[5,5]N[5,5])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5,6]O)(N[5,5]C[5,5]C[5]){1|O<1>,1|S<2>,2|C<4>,5|C<3>,7|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[5,6a](C[3x5]C[5,5,6]C[5,5]N[5,5])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,4|C<3>,4|C<4>}	117.1245	0.244	2	117.7987	0.626	4	117.7987	0.626	4	117.7987	0.626	4	118.3283	0.991	10	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[3x5]	C[5,5,6]	C[5,6a]	4:3:4:3:	4:4:4:3:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[5,5]-4:N[5,5]-3:	C[3x5]-4:C[5]-4:C[5,6]-4:C[6]-3:	C[3x5]-4:C[5,6a,6a]-3:C[6a]-3:	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5,6]O)(N[5,5]C[5,5]C[5])	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[5,6a](C[3x5]C[5,5,6]C[5,5]N[5,5])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5,6]O)(N[5,5]C[5,5]C[5]){1|O<1>,1|S<2>,2|C<4>,5|C<3>,7|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[5,6a](C[3x5]C[5,5,6]C[5,5]N[5,5])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,4|C<3>,4|C<4>}	118.4520	0.000	1	117.7987	0.626	4	117.7987	0.626	4	117.7987	0.626	4	118.3283	0.991	10	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[3x5]	C[5,5,6]	C[5,6a]	4:3:4:3:	4:4:4:3:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[5,5]-4:N[5,5]-3:	C[3x5]-4:C[5]-4:C[5,6]-4:C[6]-3:	C[3x5]-4:C[5,6a,6a]-3:C[6a]-3:	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5,6]O)(N[5,5]C[5,5]C[5])	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[5,6a](C[3x5]C[5,5,6]C[5,5]N[5,5])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5,6]O)(N[5,5]C[5,5]C[5]){1|O<1>,3|C<4>,5|C<3>,7|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[5,6a](C[3x5]C[5,5,6]C[5,5]N[5,5])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,4|C<3>,4|C<4>}	118.4940	0.000	1	117.7987	0.626	4	117.7987	0.626	4	117.7987	0.626	4	118.3283	0.991	10	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[3x5]	C[5,5]	C[5,6a]	3:3:4:4:	4:4:4:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,5]-4:C[5,5]-4:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[3x5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]2H)2	C[5,5](C[3x5]C[5,6a]2C[5,5])(C[5]C[5,6a]HH)(C[5]C[5]HH)(H)	C[5,6a](C[3x5]C[5,6a]C[5,5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[3x5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]2H)2{2|O<2>,4|C<3>,8|H<1>}	C[5,5](C[3x5]C[5,6a]2C[5,5])(C[5]C[5,6a]HH)(C[5]C[5]HH)(H){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[3x5]C[5,6a]C[5,5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){3|C<3>,3|C<4>,6|H<1>}	115.9175	0.972	2	115.9175	0.945	2	115.9175	0.945	2	115.9175	0.945	2	116.4552	3.031	13	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[3x5]	C[5,5]	C[5,6a]	3:4:3:4:	4:3:4:2:	4:3:3:	C[5,6a]-3:C[5,5]-4:N[5,5]-3:C[5]-4:	C[3x5]-4:C[5,6a]-3:C[5]-4:C-2:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(N[5,5]C[5,6a]C[5])(C[5]C[5]HH)	C[5,5](C[3x5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CN)	C[5,6a](C[3x5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(N[5,5]C[5,6a]C[5])(C[5]C[5]HH){1|O<1>,4|C<3>,5|H<1>}	C[5,5](C[3x5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CN){5|C<3>,5|H<1>}	C[5,6a](C[3x5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	120.0920	0.000	1	120.0920	0.000	1	120.0920	0.000	1	120.0920	0.000	1	116.4552	3.031	13	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[3x5]	C[5,5]	C[5,6a]	3:4:3:4:	4:4:4:3:	3:4:3:	C[5,6a]-3:C[5,5]-4:N[5,5]-3:C[5,5]-4:	C[3x5]-4:C[5]-4:C[5]-4:C-3:	C[5,6a,6a]-3:C[3x5]-4:C[6a]-3:	C[3x5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]O[5]O)(N[5,5]C[5,5]C[5])(C[5,5]C[5]2C)	C[5,5](C[3x5]C[5,6a]C[5,5]N[5,5])(C[5]C[4]O[5]H)(C[5]C[5,5]HH)(COO)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[3x5]C[5,5]2N[5,5])(C[6a]C[6a]H)	C[3x5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]O[5]O)(N[5,5]C[5,5]C[5])(C[5,5]C[5]2C){3|C<3>,3|C<4>,7|H<1>}	C[5,5](C[3x5]C[5,6a]C[5,5]N[5,5])(C[5]C[4]O[5]H)(C[5]C[5,5]HH)(COO){1|N<3>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[3x5]C[5,5]2N[5,5])(C[6a]C[6a]H){1|H<1>,2|O<2>,4|C<3>,4|C<4>}	114.7230	0.000	1	114.7230	0.000	1	114.7230	0.000	1	114.7230	0.000	1	116.4552	3.031	13	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[3x5]	C[5,5]	C[5,6a]	3:4:4:4:	4:3:2:4:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5,5]-4:C[5]-4:	C[3x5]-4:C[5]-3:O[5]-2:C-4:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,5]C[5]O[5]C)(C[5]C[5]HH)	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5]C[5]H)(O[5]C[5])(CCHH)	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,5]C[5]O[5]C)(C[5]C[5]HH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5]C[5]H)(O[5]C[5])(CCHH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,4|C<3>,5|H<1>}	116.6280	0.000	1	116.6280	0.000	1	116.6280	0.000	1	116.6280	0.000	1	116.4552	3.031	13	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[3x5]	C[5,5]	C[5,6a]	3:4:4:4:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5,5]-4:C[5]-4:	C[3x5]-4:C[5,6a]-3:C[5]-3:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5,5]C[5,6a]N[5]H)(C[5]O[5]HH)	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(H)	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5,5]C[5,6a]N[5]H)(C[5]O[5]HH){1|H<1>,1|O<1>,1|S<4>,4|C<3>}	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(H){1|N<3>,4|C<3>,4|H<1>}	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,1|S<4>,4|C<3>,6|H<1>}	116.1760	0.000	1	116.1760	0.000	1	116.1760	0.000	1	116.1760	0.000	1	116.4552	3.031	13	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[3x5]	C[5,5]	C[5,6a]	3:4:4:4:	4:3:3:3:	4:3:3:	C[5,6a]-3:C[3x5]-4:C[5,5]-4:C[5]-4:	C[3x5]-4:C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[3x5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5]N[5]O[5])(C[5,5]C[5,6a]2C[5])(C[5]C[5]HH)	C[5,5](C[3x5]C[5,6a]C[3x5]C[5])(C[5,6a]C[5,6a]C[6a])2(C[5]C[5]H)	C[5,6a](C[3x5]C[3x5]C[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3x5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5]N[5]O[5])(C[5,5]C[5,6a]2C[5])(C[5]C[5]HH){1|C<4>,4|H<1>,7|C<3>}	C[5,5](C[3x5]C[5,6a]C[3x5]C[5])(C[5,6a]C[5,6a]C[6a])2(C[5]C[5]H){1|C<4>,1|N<3>,1|O<2>,4|H<1>,7|C<3>}	C[5,6a](C[3x5]C[3x5]C[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,4|H<1>,5|C<3>}	114.4640	0.000	1	114.4640	0.000	1	114.4640	0.000	1	114.4640	0.000	1	116.4552	3.031	13	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[3x5]	C[5,5]	C[5,6a]	3:4:4:4:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5,5]-4:C[5]-4:	C[3x5]-4:C[3,5]-4:N[5]-3:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3,5]N[5]H)(C[5,5]N[3,5]N[5]H)(C[5]C[5]HH)	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[3,5]N[3,5]C[3]H)(N[5]C[5]C)(H)	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3,5]N[5]H)(C[5,5]N[3,5]N[5]H)(C[5]C[5]HH){2|C<3>,2|C<4>,5|H<1>}	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[3,5]N[3,5]C[3]H)(N[5]C[5]C)(H){1|N<3>,3|C<3>,6|H<1>}	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|N<3>,7|H<1>}	116.3040	0.000	1	116.3040	0.000	1	116.3040	0.000	1	116.3040	0.000	1	116.4552	3.031	13	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[3x5]	C[5,5]	C[5,6a]	3:4:4:4:	4:4:3:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5,5]-4:C[5]-4:	C[3x5]-4:C[5]-4:C[6a]-3:C[5]-3:	C[3x5]-4:C[5,6a]-3:C[6a]-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)	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[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	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[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[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|O<2>,3|C<3>,5|H<1>}	117.8360	0.000	1	117.8360	0.000	1	117.8360	0.000	1	117.8360	0.000	1	116.4552	3.031	13	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[3x5]	C[5,5]	C[5,6a]	3:4:4:4:	4:4:4:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5,5]-4:C[5]-4:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5,5]C[5]2H)(C[5]N[5]HH)	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5]C[5]CC)(C[5]N[5]CH)(H)	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5,5]C[5]2H)(C[5]N[5]HH){1|S<4>,2|C<3>,3|C<4>,4|H<1>}	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5]C[5]CC)(C[5]N[5]CH)(H){1|O<2>,1|S<4>,2|C<3>,5|H<1>}	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,6|H<1>}	115.4215	0.040	2	115.4215	0.002	2	115.4397	0.002	3	115.4397	0.002	3	116.4552	3.031	13	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[3x5]	C[5,5]	C[5,6a]	3:4:4:4:	4:4:4:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5,5]-4:C[5]-4:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5]C[5]CC)(C[5]O[5]CH)(H)	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH){2|C<3>,3|C<4>,4|H<1>}	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5]C[5]CC)(C[5]O[5]CH)(H){1|O<2>,2|C<3>,5|H<1>}	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	115.4760	0.000	1	115.4760	0.000	1	115.4397	0.002	3	115.4397	0.002	3	116.4552	3.031	13	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[3x5]	C[5,5]	C[5,6a]	4:3:4:4:	4:3:3:3:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5,5]-4:C[5]-4:	C[3x5]-4:C[6a]-3:C[5]-3:N[5]-3:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	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[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[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	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[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[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,2|N<3>,3|C<3>,6|H<1>}	119.5400	0.000	1	119.5400	0.000	1	119.5400	0.000	1	119.5400	0.000	1	116.4552	3.031	13	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[3x5]	C[5]	C[5,6a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-3:C[5,5]-4:C[5]-4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5])(C[5,5]N[5]2H)(C[5]C[5]HH)	C[5](C[3x5]C[5,6a]C[5,5]2)(C[5]N[5]HH)(H)2	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5])(C[5,5]N[5]2H)(C[5]C[5]HH){2|C<3>,2|C<4>,5|H<1>}	C[5](C[3x5]C[5,6a]C[5,5]2)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|C<4>,6|H<1>}	114.5150	0.000	1	114.5150	0.000	1	114.5150	0.000	1	114.5150	0.000	1	114.9254	6.903	31	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[3x5]	C[5]	C[5,6a]	3:4:3:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5,5]-3:C[5]-4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(C[5,5]C[5,5]N[5])(C[5]C[5]HH)	C[5](C[3x5]C[5,6a]C[5,5]2)(C[5]N[5]HH)(H)2	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(C[5,5]C[5,5]N[5])(C[5]C[5]HH){1|C<4>,4|C<3>,4|H<1>}	C[5](C[3x5]C[5,6a]C[5,5]2)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|C<4>,6|H<1>}	114.7220	0.000	1	115.6727	0.981	3	115.6727	0.981	3	115.0330	2.291	4	114.9254	6.903	31	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[3x5]	C[5]	C[5,6a]	3:4:3:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5,5]-3:C[5]-4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(C[5,5]C[5,5]N[5])(C[5]C[5]HH)	C[5](C[3x5]C[5,6a]C[5,5]2)(C[5]N[5]HH)(H)2	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(C[5,5]C[5,5]N[5])(C[5]C[5]HH){4|H<1>,5|C<3>}	C[5](C[3x5]C[5,6a]C[5,5]2)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|C<4>,6|H<1>}	116.1480	0.779	2	115.6727	0.981	3	115.6727	0.981	3	115.0330	2.291	4	114.9254	6.903	31	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[3x5]	C[5]	C[5,6a]	3:4:3:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:N[5,5]-3:C[5]-4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(N[5,5]C[5,6a]C[5])(C[5]C[5]HH)	C[5](C[3x5]C[5,6a]C[5,5]N[5,5])(C[5]C[5]HH)(H)2	C[5,6a](C[3x5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(N[5,5]C[5,6a]C[5])(C[5]C[5]HH){1|O<1>,4|C<3>,5|H<1>}	C[5](C[3x5]C[5,6a]C[5,5]N[5,5])(C[5]C[5]HH)(H)2{1|C<2>,2|H<1>,5|C<3>}	C[5,6a](C[3x5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	113.1140	0.000	1	113.1140	0.000	1	113.1140	0.000	1	115.0330	2.291	4	114.9254	6.903	31	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[3x5]	C[5]	C[5,6a]	3:4:4:2:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[3x5]-4:C[5]-4:O[5]-2:	C[3x5]-4:C[5]-4:H-1:H-1:	C[6a,6a]-3:C[3x5]-4:C[5,6a]-3:	C[3x5](C[5,6a]C[6a,6a]C[5,6a])(C[3x5]C[5]O[5]2)(C[5]C[5]HH)(O[5]C[5,5])	C[5](C[3x5]C[5,6a]C[3x5]O[5])(C[5]C[5]HH)(H)2	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[3x5]C[3x5]C[5]O[5])(C[5,6a]C[6a,6a]O[5])	C[3x5](C[5,6a]C[6a,6a]C[5,6a])(C[3x5]C[5]O[5]2)(C[5]C[5]HH)(O[5]C[5,5]){2|C<4>,3|C<3>,4|H<1>}	C[5](C[3x5]C[5,6a]C[3x5]O[5])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[3x5]C[3x5]C[5]O[5])(C[5,6a]C[6a,6a]O[5]){1|O<2>,3|C<4>,3|H<1>,4|C<3>}	120.3490	0.000	1	120.3490	0.000	1	120.3490	0.000	1	120.3490	0.000	1	114.9254	6.903	31	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[3x5]	C[5]	C[5,6a]	3:4:4:3:	4:3:1:1:	4:3:3:	C[5,6a]-3:C[3x5]-4:C[5]-4:C[5]-3:	C[3x5]-4:C[5]-3:H-1:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[3x5](C[5,6a]C[5,6a]C[6a])(C[3x5]N[5]O[5]2)(C[5]C[5]HH)(C[5]N[5]C)	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5]N[5]O)(H)2	C[5,6a](C[3x5]C[3x5]C[5]2)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[3x5](C[5,6a]C[5,6a]C[6a])(C[3x5]N[5]O[5]2)(C[5]C[5]HH)(C[5]N[5]C){1|O<1>,2|C<3>,2|H<1>}	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,1|N<2>,2|C<3>,2|O<2>}	C[5,6a](C[3x5]C[3x5]C[5]2)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|N<3>,3|H<1>}	115.4180	0.000	2	115.4180	0.000	2	115.4180	0.000	2	115.4180	0.000	2	114.9254	6.903	31	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[3x5]	C[5]	C[5,6a]	3:4:4:4:	4:2:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5,5]-4:C[5]-4:	C[3x5]-4:O[5]-2:H-1:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5,5]C[5,6a]N[5]H)(C[5]O[5]HH)	C[5](C[3x5]C[5,6a]C[5,5]2)(O[5]C[5])(H)2	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5,5]C[5,6a]N[5]H)(C[5]O[5]HH){1|H<1>,1|O<1>,1|S<4>,4|C<3>}	C[5](C[3x5]C[5,6a]C[5,5]2)(O[5]C[5])(H)2{1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,1|S<4>,4|C<3>,6|H<1>}	111.6650	0.000	1	111.6650	0.000	1	112.7893	1.072	3	112.7893	1.072	3	114.9254	6.903	31	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[3x5]	C[5]	C[5,6a]	3:4:4:4:	4:2:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5,5]-4:C[5]-4:	C[3x5]-4:O[5]-2:H-1:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)	C[5](C[3x5]C[5,6a]C[5,5]2)(O[5]C[5])(H)2	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH){2|C<3>,3|C<4>,4|H<1>}	C[5](C[3x5]C[5,6a]C[5,5]2)(O[5]C[5])(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	113.7030	0.000	1	113.7030	0.000	1	112.7893	1.072	3	112.7893	1.072	3	114.9254	6.903	31	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[3x5]	C[5]	C[5,6a]	3:4:4:4:	4:2:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5,5]-4:C[5]-4:	C[3x5]-4:O[5]-2:H-1:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-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)	C[5](C[3x5]C[5,6a]C[5,5]2)(O[5]C[5])(H)2	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	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[5](C[3x5]C[5,6a]C[5,5]2)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|O<2>,3|C<3>,5|H<1>}	113.0000	0.000	1	113.0000	0.000	1	112.7893	1.072	3	112.7893	1.072	3	114.9254	6.903	31	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[3x5]	C[5]	C[5,6a]	3:4:4:4:	4:3:1:1:	4:3:3:	C[5,6a]-3:C[3x5]-4:C[5]-4:C[5]-4:	C[3x5]-4:C[5]-3:H-1:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[3x5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5]N[5]2)(C[5]C[5]HH)2	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5]C[5]C)(H)2	C[5,6a](C[3x5]C[3x5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3x5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5]N[5]2)(C[5]C[5]HH)2{1|C<4>,1|S<4>,3|C<3>,4|H<1>}	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5]C[5]C)(H)2{1|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[3x5]C[3x5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,7|H<1>}	114.4400	0.000	1	114.4400	0.000	1	114.4400	0.000	1	114.9638	0.722	4	114.9254	6.903	31	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[3x5]	C[5]	C[5,6a]	3:4:4:4:	4:3:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5,5]-4:C[5]-4:	C[3x5]-4:C[5]-3:H-1:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,5]C[5]O[5]C)(C[5]C[5]HH)	C[5](C[3x5]C[5,6a]C[5,5]2)(C[5]O[5]O)(H)2	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,5]C[5]O[5]C)(C[5]C[5]HH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[3x5]C[5,6a]C[5,5]2)(C[5]O[5]O)(H)2{1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,4|C<3>,5|H<1>}	116.2180	0.000	1	116.2180	0.000	1	116.2180	0.000	1	114.9638	0.722	4	114.9254	6.903	31	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[3x5]	C[5]	C[5,6a]	3:4:4:4:	4:3:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5,5]-4:C[5]-4:	C[3x5]-4:N[5]-3:H-1:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5,5]C[5]2H)(C[5]N[5]HH)	C[5](C[3x5]C[5,6a]C[5,5]2)(N[5]C[5]S)(H)2	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5,5]C[5]2H)(C[5]N[5]HH){1|S<4>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[3x5]C[5,6a]C[5,5]2)(N[5]C[5]S)(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,6|H<1>}	114.5985	0.228	2	114.5985	0.052	2	114.5985	0.052	2	114.9638	0.722	4	114.9254	6.903	31	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[3x5]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[3x5]-4:C[5,5]-4:C[5]-4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[3x5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5]N[5]O[5])(C[5,5]C[5,6a]2C[5])(C[5]C[5]HH)	C[5](C[3x5]C[5,6a]C[3x5]C[5,5])(C[5]O[5]HH)(H)2	C[5,6a](C[3x5]C[3x5]C[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3x5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5]N[5]O[5])(C[5,5]C[5,6a]2C[5])(C[5]C[5]HH){1|C<4>,4|H<1>,7|C<3>}	C[5](C[3x5]C[5,6a]C[3x5]C[5,5])(C[5]O[5]HH)(H)2{1|N<3>,6|C<3>}	C[5,6a](C[3x5]C[3x5]C[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,4|H<1>,5|C<3>}	114.4760	0.000	1	114.4760	0.000	1	114.4760	0.000	1	112.8723	2.572	6	114.9254	6.903	31	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[3x5]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[3x5]-4:C[5]-4:C[5]-4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[3x5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,6]N[5]2)(C[5]C[5,6]C[5a]H)(C[5]C[5]HH)	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5]N[5]HH)(H)2	C[5,6a](C[3x5]C[3x5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3x5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,6]N[5]2)(C[5]C[5,6]C[5a]H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|S<4>,5|C<3>,5|H<1>}	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[5,6a](C[3x5]C[3x5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|S<4>,2|C<3>,3|C<4>,5|H<1>}	110.6100	0.000	1	111.5170	0.632	3	112.2862	2.788	4	112.8723	2.572	6	114.9254	6.903	31	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[3x5]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[3x5]-4:C[5]-4:C[5]-4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[3x5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,6]N[5]2)(C[5]C[5,6]C[5a]H)(C[5]C[5]HH)	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5]N[5]HH)(H)2	C[5,6a](C[3x5]C[3x5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3x5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,6]N[5]2)(C[5]C[5,6]C[5a]H)(C[5]C[5]HH){1|C<4>,1|N<3>,5|C<3>,6|H<1>}	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[5,6a](C[3x5]C[3x5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,6|H<1>}	111.9705	0.173	2	111.5170	0.632	3	112.2862	2.788	4	112.8723	2.572	6	114.9254	6.903	31	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[3x5]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[3x5]-4:C[5]-4:C[5]-4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[3x5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5]N[5]2)(C[5]C[5]HH)2	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5]N[5]HH)(H)2	C[5,6a](C[3x5]C[3x5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3x5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5]N[5]2)(C[5]C[5]HH)2{1|C<4>,1|S<4>,3|C<3>,4|H<1>}	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5]N[5]HH)(H)2{1|N<3>,1|S<4>,2|H<1>,4|C<3>}	C[5,6a](C[3x5]C[3x5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,7|H<1>}	114.5940	0.000	1	114.5940	0.000	1	112.2862	2.788	4	112.8723	2.572	6	114.9254	6.903	31	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[3x5]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5,5]-4:C[5]-4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3,5]N[5]H)(C[5,5]N[3,5]N[5]H)(C[5]C[5]HH)	C[5](C[3x5]C[5,6a]C[5,5]2)(C[5]N[5]HH)(H)2	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3,5]N[5]H)(C[5,5]N[3,5]N[5]H)(C[5]C[5]HH){2|C<3>,2|C<4>,5|H<1>}	C[5](C[3x5]C[5,6a]C[5,5]2)(C[5]N[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|N<3>,7|H<1>}	113.6130	0.000	1	113.6130	0.000	1	113.6130	0.000	1	112.8723	2.572	6	114.9254	6.903	31	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[3x5]	C[5]	C[5,6a]	3:4:4:4:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[3x5]-4:C[5]-4:C[5]-4:	C[3x5]-4:C[5,6]-4:C[5a]-3:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[3x5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,6]N[5]2)(C[5]C[5,6]C[5a]H)(C[5]C[5]HH)	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H)	C[5,6a](C[3x5]C[3x5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3x5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,6]N[5]2)(C[5]C[5,6]C[5a]H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|S<4>,5|C<3>,5|H<1>}	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H){1|S<4>,2|N<3>,3|H<1>,5|C<3>,5|C<4>}	C[5,6a](C[3x5]C[3x5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|S<4>,2|C<3>,3|C<4>,5|H<1>}	116.2070	0.000	1	116.2530	0.068	3	116.2530	0.068	3	116.2530	0.068	3	114.9254	6.903	31	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[3x5]	C[5]	C[5,6a]	3:4:4:4:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[3x5]-4:C[5]-4:C[5]-4:	C[3x5]-4:C[5,6]-4:C[5a]-3:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[3x5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,6]N[5]2)(C[5]C[5,6]C[5a]H)(C[5]C[5]HH)	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H)	C[5,6a](C[3x5]C[3x5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3x5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,6]N[5]2)(C[5]C[5,6]C[5a]H)(C[5]C[5]HH){1|C<4>,1|N<3>,5|C<3>,6|H<1>}	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H){2|N<3>,4|H<1>,5|C<3>,5|C<4>}	C[5,6a](C[3x5]C[3x5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,6|H<1>}	116.2760	0.363	2	116.2530	0.068	3	116.2530	0.068	3	116.2530	0.068	3	114.9254	6.903	31	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[3x5]	C[5]	C[5,6a]	4:3:3:4:	4:2:4:1:	4:3:3:	C[3,3x5]-4:C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[3x5]-4:O[5]-2:C-4:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[3x5](C[3,3x5]C[3,5]2C[5])(C[5,6a]C[5,6a]C[6a])2(C[5]O[5]CH)	C[5](C[3x5]C[3,3x5]C[5,6a]2)(O[5]C[5])(CH3)(H)	C[5,6a](C[3x5]C[3,3x5]C[5,6a]C[5])(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[3x5](C[3,3x5]C[3,5]2C[5])(C[5,6a]C[5,6a]C[6a])2(C[5]O[5]CH){1|O<1>,3|H<1>,5|C<3>}	C[5](C[3x5]C[3,3x5]C[5,6a]2)(O[5]C[5])(CH3)(H){1|O<1>,2|C<4>,4|C<3>}	C[5,6a](C[3x5]C[3,3x5]C[5,6a]C[5])(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|H<1>,5|C<3>}	122.4300	0.000	1	120.7530	5.625	2	120.7530	5.625	2	120.7530	5.625	2	114.9254	6.903	31	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[3x5]	C[5]	C[5,6a]	4:3:3:4:	4:2:4:1:	4:3:3:	C[3,3x5]-4:C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[3x5]-4:O[5]-2:C-4:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[3x5](C[3,3x5]C[3,5]2C[5])(C[5,6a]C[5,6a]C[6a])2(C[5]O[5]CH)	C[5](C[3x5]C[3,3x5]C[5,6a]2)(O[5]C[5])(CH3)(H)	C[5,6a](C[3x5]C[3,3x5]C[5,6a]C[5])(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[3x5](C[3,3x5]C[3,5]2C[5])(C[5,6a]C[5,6a]C[6a])2(C[5]O[5]CH){1|O<1>,3|H<1>,5|C<3>}	C[5](C[3x5]C[3,3x5]C[5,6a]2)(O[5]C[5])(CH3)(H){1|O<1>,2|C<4>,4|C<3>}	C[5,6a](C[3x5]C[3,3x5]C[5,6a]C[5])(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	119.0760	0.000	1	120.7530	5.625	2	120.7530	5.625	2	120.7530	5.625	2	114.9254	6.903	31	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[3x5]	C[5]	C[5,6a]	4:3:4:4:	4:3:1:1:	4:3:3:	C[3x5]-4:C[5,6a]-3:C[5]-4:C[5]-4:	C[3x5]-4:C[5]-3:H-1:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[3x5](C[3x5]C[5,6]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5a]H)(C[5]C[5]HH)	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5]O[5]O)(H)2	C[5,6a](C[3x5]C[3x5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3x5](C[3x5]C[5,6]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5a]H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,1|S<4>,3|H<1>,4|C<3>}	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5]O[5]O)(H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[5,6a](C[3x5]C[3x5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,1|S<4>,2|C<4>,3|C<3>,5|H<1>}	112.3990	0.000	1	112.3990	0.000	1	112.3990	0.000	1	112.3990	0.000	1	114.9254	6.903	31	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[3x5]	C[5]	C[5,6a]	4:3:4:4:	4:4:1:1:	4:3:3:	C[3x5]-4:C[5,6a]-3:C[5]-4:C[5]-4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[3x5](C[3x5]C[5,6]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5a]H)(C[5]C[5]HH)	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5]O[5]HH)(H)2	C[5,6a](C[3x5]C[3x5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3x5](C[3x5]C[5,6]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5a]H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|S<4>,4|C<3>,5|H<1>}	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5]O[5]HH)(H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[5,6a](C[3x5]C[3x5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,1|S<4>,2|C<3>,3|C<4>,5|H<1>}	111.0410	0.000	1	111.0410	0.000	1	111.0410	0.000	1	112.2435	2.892	2	114.9254	6.903	31	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[3x5]	C[5]	C[5,6a]	4:3:4:4:	4:4:1:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5,5]-4:C[5]-4:	C[3x5]-4:C[5]-4:H-1:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	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[5](C[3x5]C[5,6a]C[5,5]2)(C[5]N[5]HH)(H)2	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	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[5](C[3x5]C[5,6a]C[5,5]2)(C[5]N[5]HH)(H)2{1|H<1>,2|N<3>,5|C<3>}	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,2|N<3>,3|C<3>,6|H<1>}	113.4460	0.000	1	113.4460	0.000	1	113.4460	0.000	1	112.2435	2.892	2	114.9254	6.903	31	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[3x5]	C[5]	C[5,6a]	4:3:4:4:	4:4:3:1:	4:3:3:	C[3x5]-4:C[5,6a]-3:C[5]-4:C[5]-4:	C[3x5]-4:C[5,6]-4:C[5a]-3:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[3x5](C[3x5]C[5,6]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5a]H)(C[5]C[5]HH)	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H)	C[5,6a](C[3x5]C[3x5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3x5](C[3x5]C[5,6]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5a]H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,1|S<4>,3|H<1>,4|C<3>}	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H){1|N<3>,1|O<2>,1|S<4>,3|H<1>,4|C<4>,6|C<3>}	C[5,6a](C[3x5]C[3x5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,1|S<4>,2|C<4>,3|C<3>,5|H<1>}	116.2100	0.000	1	117.1230	1.667	2	117.1230	1.667	2	117.1230	1.667	2	114.9254	6.903	31	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[3x5]	C[5]	C[5,6a]	4:3:4:4:	4:4:3:1:	4:3:3:	C[3x5]-4:C[5,6a]-3:C[5]-4:C[5]-4:	C[3x5]-4:C[5,6]-4:C[5a]-3:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[3x5](C[3x5]C[5,6]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5a]H)(C[5]C[5]HH)	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H)	C[5,6a](C[3x5]C[3x5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3x5](C[3x5]C[5,6]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5a]H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|S<4>,4|C<3>,5|H<1>}	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H){1|N<3>,1|O<2>,1|S<4>,3|H<1>,5|C<3>,5|C<4>}	C[5,6a](C[3x5]C[3x5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,1|S<4>,2|C<3>,3|C<4>,5|H<1>}	118.0360	0.000	1	117.1230	1.667	2	117.1230	1.667	2	117.1230	1.667	2	114.9254	6.903	31	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,3x6]	C[5,5,6,6]	C[5,6a]	4:4:3:3:	4:4:4:3:	4:3:3:	C[5,5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:C[5,6a]-3:	C[5,3x6]-4:C[5,6,6]-4:C[5,5]-4:C[5]-3:	C[5,3x6]-4:C[5,6a]-3:C[6a]-3:	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,5]C[5])(C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]C[5])(C[5,6a]C[5,6a]C[6a])	C[5,5,6,6](C[5,3x6]C[5,6,6]2C[5,6a])(C[5,6,6]C[5,3x6]C[5,6a]H)(C[5,5]C[5,6a]2O)(C[5]C[5,6a]O)	C[5,6a](C[5,3x6]C[5,5,6,6]C[5,6,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,5]C[5])(C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]C[5])(C[5,6a]C[5,6a]C[6a]){1|C<4>,2|H<1>,2|O<2>,3|O<1>,9|C<3>}	C[5,5,6,6](C[5,3x6]C[5,6,6]2C[5,6a])(C[5,6,6]C[5,3x6]C[5,6a]H)(C[5,5]C[5,6a]2O)(C[5]C[5,6a]O){10|C<3>,1|C<4>,1|H<1>}	C[5,6a](C[5,3x6]C[5,5,6,6]C[5,6,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<4>,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	117.3070	0.000	1	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,3x6]	C[5,6,6]	C[5,6a]	4:3:4:3:	4:4:3:1:	4:3:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:C[5,6a]-3:	C[5,3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,3x6]-4:C[5,6a]-3:C[6a]-3:	C[5,3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]C[5])(C[5,6,6]C[6,6]C[5]2)(C[5,6a]C[5,6a]C[6a])	C[5,6,6](C[5,3x6]C[5,6,6]2C[5,6a])(C[5,6,6]C[5,3x6]C[5,6a]O)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,3x6]C[5,6,6]3)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]C[5])(C[5,6,6]C[6,6]C[5]2)(C[5,6a]C[5,6a]C[6a]){1|C<4>,1|O<2>,2|H<1>,4|O<1>,8|C<3>}	C[5,6,6](C[5,3x6]C[5,6,6]2C[5,6a])(C[5,6,6]C[5,3x6]C[5,6a]O)(C[5]C[5,6a]O)(H){1|C<4>,9|C<3>}	C[5,6a](C[5,3x6]C[5,6,6]3)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	114.5415	1.016	4	114.5415	1.032	4	114.5415	1.032	4	114.9632	1.663	5	114.6725	2.005	11	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,3x6]	C[5,6,6]	C[5,6a]	4:3:4:3:	4:4:3:1:	4:3:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:C[5,6a]-3:	C[5,6,6]-4:C[5,3x6]-4:C[5]-3:H-1:	C[5,3x6]-4:C[5,6a]-3:C[6a]-3:	C[5,3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]C[5])(C[5,6,6]C[6,6]C[5]2)(C[5,6a]C[5,6a]C[6a])	C[5,6,6](C[5,6,6]C[5,3x6]C[5,6a]C[5])(C[5,3x6]C[5,6,6]2C[5,6a])(C[5]C[5,6a]O)(H)	C[5,6a](C[5,3x6]C[5,6,6]3)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]C[5])(C[5,6,6]C[6,6]C[5]2)(C[5,6a]C[5,6a]C[6a]){1|C<4>,2|H<1>,4|O<1>,9|C<3>}	C[5,6,6](C[5,6,6]C[5,3x6]C[5,6a]C[5])(C[5,3x6]C[5,6,6]2C[5,6a])(C[5]C[5,6a]O)(H){11|C<3>,1|C<4>}	C[5,6a](C[5,3x6]C[5,6,6]3)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	116.6500	0.000	1	116.6500	0.000	1	116.6500	0.000	1	114.9632	1.663	5	114.6725	2.005	11	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,3x6]	C[5,6,6]	C[5,6a]	4:3:4:3:	4:4:3:3:	4:3:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:C[5,6a]-3:	C[5,3x6]-4:C[6,6]-4:C[5]-3:C[5]-3:	C[5,3x6]-4:C[5,6a]-3:C[6a]-3:	C[5,3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]C[5])(C[5,6,6]C[6,6]C[5]2)(C[5,6a]C[5,6a]C[6a])	C[5,6,6](C[5,3x6]C[5,6,6]2C[5,6a])(C[6,6]C[5,3x6]C[6a]H)(C[5]C[5,6a]O)2	C[5,6a](C[5,3x6]C[5,6,6]3)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]C[5])(C[5,6,6]C[6,6]C[5]2)(C[5,6a]C[5,6a]C[6a]){1|C<4>,1|O<2>,2|H<1>,4|O<1>,8|C<3>}	C[5,6,6](C[5,3x6]C[5,6,6]2C[5,6a])(C[6,6]C[5,3x6]C[6a]H)(C[5]C[5,6a]O)2{10|C<3>,1|C<4>,1|H<1>}	C[5,6a](C[5,3x6]C[5,6,6]3)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	115.3695	0.549	4	114.6554	2.775	5	114.6554	2.775	5	114.6554	2.775	5	114.6725	2.005	11	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,3x6]	C[5,6,6]	C[5,6a]	4:3:4:3:	4:4:3:3:	4:3:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:C[5,6a]-3:	C[5,3x6]-4:C[6,6]-4:C[5]-3:C[5]-3:	C[5,3x6]-4:C[5,6a]-3:C[6a]-3:	C[5,3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]C[5])(C[5,6,6]C[6,6]C[5]2)(C[5,6a]C[5,6a]C[6a])	C[5,6,6](C[5,3x6]C[5,6,6]2C[5,6a])(C[6,6]C[5,3x6]C[6a]H)(C[5]C[5,6a]O)2	C[5,6a](C[5,3x6]C[5,6,6]3)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]C[5])(C[5,6,6]C[6,6]C[5]2)(C[5,6a]C[5,6a]C[6a]){1|C<4>,2|H<1>,4|O<1>,9|C<3>}	C[5,6,6](C[5,3x6]C[5,6,6]2C[5,6a])(C[6,6]C[5,3x6]C[6a]H)(C[5]C[5,6a]O)2{10|C<3>,1|C<4>,1|H<1>}	C[5,6a](C[5,3x6]C[5,6,6]3)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	111.7990	0.000	1	114.6554	2.775	5	114.6554	2.775	5	114.6554	2.775	5	114.6725	2.005	11	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,3x6]	C[5,6,6]	C[5,6a]	4:4:3:3:	4:4:3:1:	4:3:3:	C[5,5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:C[5,6a]-3:	C[5,3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,3x6]-4:C[5,6a]-3:C[6a]-3:	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,5]C[5])(C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]C[5])(C[5,6a]C[5,6a]C[6a])	C[5,6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]C[5,6a])(C[5,6,6]C[5,3x6]C[5,6a]O)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,3x6]C[5,5,6,6]C[5,6,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,5]C[5])(C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]C[5])(C[5,6a]C[5,6a]C[6a]){1|C<4>,2|H<1>,2|O<2>,3|O<1>,9|C<3>}	C[5,6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]C[5,6a])(C[5,6,6]C[5,3x6]C[5,6a]O)(C[5]C[5,6a]O)(H){2|C<4>,8|C<3>}	C[5,6a](C[5,3x6]C[5,5,6,6]C[5,6,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<4>,3|H<1>,4|C<3>}	113.3040	0.000	1	113.3040	0.000	1	113.3040	0.000	1	113.3040	0.000	1	114.6725	2.005	11	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,3x6]	C[5,3x6]	C[5,6a]	4:4:3:4:	4:4:3:1:	4:3:3:	C[5,4x6]-4:C[5,3x6]-4:C[5,6a]-3:C[5,6]-4:	C[5,5,3x6]-4:C[4x6]-4:N[5,6]-3:H-1:	C[5,5,3x6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,3x6](C[5,4x6]C[3x6]C[6,6]N[5])(C[5,3x6]C[4x6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)	C[5,3x6](C[5,5,3x6]C[5,4x6]C[5,6a]C[5,6])(C[4x6]C[6,6]2C[6])(N[5,6]C[5]C[6])(H)	C[5,6a](C[5,5,3x6]C[5,3x6]C[5,4x6]C[5,6])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	C[5,5,3x6](C[5,4x6]C[3x6]C[6,6]N[5])(C[5,3x6]C[4x6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H){1|O<1>,2|O<2>,3|C<3>,4|C<4>,5|H<1>}	C[5,3x6](C[5,5,3x6]C[5,4x6]C[5,6a]C[5,6])(C[4x6]C[6,6]2C[6])(N[5,6]C[5]C[6])(H){11|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[5,6a](C[5,5,3x6]C[5,3x6]C[5,4x6]C[5,6])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,3|H<1>,4|C<4>}	118.3760	0.000	1	118.3760	0.000	1	118.3760	0.000	1	118.3760	0.000	1	118.3760	0.000	1	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,3x6]	C[5,5,6]	C[5,6,6a]	4:3:3:4:	4:3:2:1:	4:3:3:	C[5,5,3x6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6]-4:	C[5,5,3x6]-4:C[5,6,6a]-3:O[5,5]-2:H-1:	C[5,5,3x6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,5,3x6](C[5,5,3x6]C[5,6,6a]2C[5,5,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6]C[5,6,6a]O[5,5]H)	C[5,5,6](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]2)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(H)	C[5,6,6a](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]C[5,5,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,5,3x6](C[5,5,3x6]C[5,6,6a]2C[5,5,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6]C[5,6,6a]O[5,5]H){10|C<3>,1|H<1>}	C[5,5,6](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]2)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(H){2|H<1>,8|C<3>}	C[5,6,6a](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]C[5,5,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,1|H<1>,1|O<2>,9|C<3>}	113.7207	1.795	4	113.7207	3.221	4	113.7207	3.221	4	113.7207	3.221	4	113.6637	4.493	10	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,3x6]	C[5,5,6]	C[5,6,6a]	4:3:3:4:	4:3:4:1:	4:3:3:	C[5,5,3x6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6]-4:	C[5,5,3x6]-4:C[5,6,6a]-3:C[5,5]-4:H-1:	C[5,5,3x6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,5,3x6](C[5,5,3x6]C[5,6,6a]C[5,5,6]C[5,6,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6]C[5,6,6a]C[5,5]H)	C[5,5,6](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]2)(C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(H)	C[5,6,6a](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]C[5,5,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,5,3x6](C[5,5,3x6]C[5,6,6a]C[5,5,6]C[5,6,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6]C[5,6,6a]C[5,5]H){2|C<4>,2|H<1>,9|C<3>}	C[5,5,6](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]2)(C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(H){1|C<4>,1|H<1>,8|C<3>}	C[5,6,6a](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]C[5,5,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|H<1>,2|C<4>,9|C<3>}	112.4350	0.000	1	112.4350	0.000	1	114.0890	5.471	2	113.2050	3.107	4	113.6637	4.493	10	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,3x6]	C[5,5,6]	C[5,6,6a]	4:3:3:4:	4:3:4:1:	4:3:3:	C[5,5,3x6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6]-4:	C[5,5,3x6]-4:C[5,6,6a]-3:C[5,5]-4:H-1:	C[5,5,3x6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,5,3x6](C[5,5,3x6]C[5,6,6a]C[5,5,6]C[5,6,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6]C[5,6,6a]C[5,5]H)	C[5,5,6](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]2)(C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(H)	C[5,6,6a](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]C[5,5,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,5,3x6](C[5,5,3x6]C[5,6,6a]C[5,5,6]C[5,6,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6]C[5,6,6a]C[5,5]H){2|C<4>,2|H<1>,9|C<3>}	C[5,5,6](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]2)(C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(H){1|C<4>,1|H<1>,8|C<3>}	C[5,6,6a](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]C[5,5,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|H<1>,2|C<4>,9|C<3>}	115.7430	0.000	1	115.7430	0.000	1	114.0890	5.471	2	113.2050	3.107	4	113.6637	4.493	10	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,3x6]	C[5,5,6]	C[5,6,6a]	4:3:3:4:	4:3:4:1:	4:3:3:	C[5,5,3x6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6]-4:	C[5,5,3x6]-4:C[5,6,6a]-3:C[5,5]-4:H-1:	C[5,5,3x6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,5,3x6](C[5,5,3x6]C[5,6,6a]C[5,5,6]C[5,6,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6]C[5,6,6a]C[5,5]H)	C[5,5,6](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]2)(C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(H)	C[5,6,6a](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]C[5,5,6])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,5,3x6](C[5,5,3x6]C[5,6,6a]C[5,5,6]C[5,6,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6]C[5,6,6a]C[5,5]H){2|C<4>,2|H<1>,9|C<3>}	C[5,5,6](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]2)(C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(H){1|C<4>,1|H<1>,8|C<3>}	C[5,6,6a](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]C[5,5,6])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|H<1>,2|C<4>,9|C<3>}	111.7190	0.000	1	111.7190	0.000	1	112.3210	0.725	2	113.2050	3.107	4	113.6637	4.493	10	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,3x6]	C[5,5,6]	C[5,6,6a]	4:3:3:4:	4:3:4:1:	4:3:3:	C[5,5,3x6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6]-4:	C[5,5,3x6]-4:C[5,6,6a]-3:C[5,5]-4:H-1:	C[5,5,3x6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,5,3x6](C[5,5,3x6]C[5,6,6a]C[5,5,6]C[5,6,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6]C[5,6,6a]C[5,5]H)	C[5,5,6](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]2)(C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(H)	C[5,6,6a](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]C[5,5,6])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[5,5,3x6](C[5,5,3x6]C[5,6,6a]C[5,5,6]C[5,6,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6]C[5,6,6a]C[5,5]H){2|C<4>,2|H<1>,9|C<3>}	C[5,5,6](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]2)(C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(H){1|C<4>,1|H<1>,8|C<3>}	C[5,6,6a](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]C[5,5,6])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){1|H<1>,2|C<4>,9|C<3>}	112.9230	0.000	1	112.9230	0.000	1	112.3210	0.725	2	113.2050	3.107	4	113.6637	4.493	10	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,3x6]	C[5,5,6]	C[5,6,6a]	4:3:4:3:	4:3:4:4:	4:3:3:	C[5,5,3x6]-4:C[5,6,6]-3:C[5,5,6]-4:C[5,6,6a]-3:	C[5,5,3x6]-4:C[5,6,6a]-3:C[5,5]-4:C-4:	C[5,5,3x6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,5,3x6](C[5,5,3x6]C[5,6,6a]2C[5,5,6])(C[5,6,6]C[5,5,3x6]C[5,6,6])(C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,6,6a]C[5,6,6a]2)	C[5,5,6](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(CCHH)	C[5,6,6a](C[5,5,3x6]C[5,5,3x6]C[5,5,6]C[5,6,6])(C[5,6,6a]C[5,5,3x6]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[5,5,3x6](C[5,5,3x6]C[5,6,6a]2C[5,5,6])(C[5,6,6]C[5,5,3x6]C[5,6,6])(C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,6,6a]C[5,6,6a]2){2|C<4>,3|H<1>,9|C<3>}	C[5,5,6](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(CCHH){1|C<4>,2|H<1>,7|C<3>}	C[5,6,6a](C[5,5,3x6]C[5,5,3x6]C[5,5,6]C[5,6,6])(C[5,6,6a]C[5,5,3x6]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){5|C<4>,8|C<3>}	114.4670	4.394	2	114.4670	19.307	2	114.4670	19.307	2	114.4670	19.307	2	113.6637	4.493	10	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,3x6]	C[5,6,6]	C[5,6a]	3:4:4:3:	4:4:3:1:	4:3:3:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6]-4:C[5,6a]-3:	C[5,5,3x6]-4:C[6,6]-4:N[5]-3:H-1:	C[5,5,3x6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,3x6](C[5,6,6]C[5,6,6]N[5])(C[5,6,6]C[6,6]C[5]C)(C[5,6,6]C[6,6]N[5]H)(C[5,6a]C[5,6a]C[6a])	C[5,6,6](C[5,5,3x6]C[5,6,6]2C[5,6a])(C[6,6]C[3x6]HH)(N[5]C[5]C)(H)	C[5,6a](C[5,5,3x6]C[5,6,6]3)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,3x6](C[5,6,6]C[5,6,6]N[5])(C[5,6,6]C[6,6]C[5]C)(C[5,6,6]C[6,6]N[5]H)(C[5,6a]C[5,6a]C[6a]){1|O<1>,2|C<3>,2|C<4>,2|S<2>,5|H<1>}	C[5,6,6](C[5,5,3x6]C[5,6,6]2C[5,6a])(C[6,6]C[3x6]HH)(N[5]C[5]C)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,5,3x6]C[5,6,6]3)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>,4|C<4>}	117.0020	0.000	1	117.0020	0.000	1	117.0020	0.000	1	117.0020	0.000	1	117.3905	0.302	2	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,3x6]	C[5,6,6]	C[5,6a]	3:4:4:3:	4:4:3:4:	4:3:3:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6]-4:C[5,6a]-3:	C[5,5,3x6]-4:C[6,6]-4:C[5]-3:C-4:	C[5,5,3x6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,3x6](C[5,6,6]C[5,6,6]N[5])(C[5,6,6]C[6,6]C[5]C)(C[5,6,6]C[6,6]N[5]H)(C[5,6a]C[5,6a]C[6a])	C[5,6,6](C[5,5,3x6]C[5,6,6]2C[5,6a])(C[6,6]C[3x6]HH)(C[5]N[5]O)(CCHH)	C[5,6a](C[5,5,3x6]C[5,6,6]3)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,3x6](C[5,6,6]C[5,6,6]N[5])(C[5,6,6]C[6,6]C[5]C)(C[5,6,6]C[6,6]N[5]H)(C[5,6a]C[5,6a]C[6a]){1|O<1>,2|C<3>,2|C<4>,2|S<2>,5|H<1>}	C[5,6,6](C[5,5,3x6]C[5,6,6]2C[5,6a])(C[6,6]C[3x6]HH)(C[5]N[5]O)(CCHH){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,5,3x6]C[5,6,6]3)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>,4|C<4>}	117.7790	0.000	1	117.7790	0.000	1	117.7790	0.000	1	117.7790	0.000	1	117.3905	0.302	2	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,3x6]	C[5,6]	C[5,6a]	4:4:3:4:	4:4:3:1:	4:3:3:	C[5,4x6]-4:C[5,3x6]-4:C[5,6a]-3:C[5,6]-4:	C[5,5,3x6]-4:C[5]-4:C[6]-3:H-1:	C[5,5,3x6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,3x6](C[5,4x6]C[3x6]C[6,6]N[5])(C[5,3x6]C[4x6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)	C[5,6](C[5,5,3x6]C[5,3x6]C[5,4x6]C[5,6a])(C[5]N[5,6]HH)(C[6]O[6]O)(H)	C[5,6a](C[5,5,3x6]C[5,3x6]C[5,4x6]C[5,6])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	C[5,5,3x6](C[5,4x6]C[3x6]C[6,6]N[5])(C[5,3x6]C[4x6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H){1|O<1>,2|O<2>,3|C<3>,4|C<4>,5|H<1>}	C[5,6](C[5,5,3x6]C[5,3x6]C[5,4x6]C[5,6a])(C[5]N[5,6]HH)(C[6]O[6]O)(H){1|H<1>,1|N<3>,2|C<3>,4|C<4>}	C[5,6a](C[5,5,3x6]C[5,3x6]C[5,4x6]C[5,6])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,3|H<1>,4|C<4>}	108.6810	0.000	1	108.6810	0.000	1	108.6810	0.000	1	108.6810	0.000	1	108.6810	0.000	1	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6,6]	C[5,3x6]	C[5,6a]	4:3:4:4:	4:4:4:1:	4:3:3:	C[5,3x6]-4:C[5,6a]-3:C[5,6]-4:C[5,6]-4:	C[5,5,6,6]-4:N[5,6]-4:C[3x6]-4:H-1:	C[5,5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6,6](C[5,3x6]C[3x6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]C)	C[5,3x6](C[5,5,6,6]C[5,6a]C[5,6]2)(N[5,6]C[5]C[6]H)(C[3x6]C[6]3)(H)	C[5,6a](C[5,5,6,6]C[5,3x6]C[5,6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6,6](C[5,3x6]C[3x6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]C){1|O<1>,2|C<3>,4|C<4>,7|H<1>}	C[5,3x6](C[5,5,6,6]C[5,6a]C[5,6]2)(N[5,6]C[5]C[6]H)(C[3x6]C[6]3)(H){11|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[5,6a](C[5,5,6,6]C[5,3x6]C[5,6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<4>,3|C<3>,3|C<4>,5|H<1>}	110.5650	0.000	1	110.5650	0.000	1	110.5650	0.000	1	110.5650	0.000	1	115.1778	18.385	5	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6,6]	C[5,3x6]	C[5,6a]	4:4:3:4:	4:4:3:1:	4:3:3:	C[5,3x6]-4:C[5,3x6]-4:C[5,6a]-3:C[5]-4:	C[5,5,6,6]-4:C[4x6]-4:N[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6,6](C[5,3x6]C[4x6]N[5,6]H)(C[5,3x6]C[6,6]2N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5])(C[4x6]C[6,6]2C[6])(N[5,6]C[5,6]C[5])(H)	C[5,6a](C[5,5,6,6]C[5,3x6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6,6](C[5,3x6]C[4x6]N[5,6]H)(C[5,3x6]C[6,6]2N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){3|C<4>,4|C<3>,7|H<1>}	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5])(C[4x6]C[6,6]2C[6])(N[5,6]C[5,6]C[5])(H){10|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[5,6a](C[5,5,6,6]C[5,3x6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,4|C<4>,6|H<1>}	119.4090	0.000	1	119.4090	0.000	1	119.7400	0.219	2	116.3310	15.647	4	115.1778	18.385	5	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6,6]	C[5,3x6]	C[5,6a]	4:4:3:4:	4:4:3:1:	4:3:3:	C[5,3x6]-4:C[5,3x6]-4:C[5,6a]-3:C[5]-4:	C[5,5,6,6]-4:C[4x6]-4:N[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6,6](C[5,3x6]C[4x6]N[5,6]H)(C[5,3x6]C[6,6]2N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5])(C[4x6]C[6,6]2C[6])(N[5,6]C[5]C[6])(H)	C[5,6a](C[5,5,6,6]C[5,3x6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6,6](C[5,3x6]C[4x6]N[5,6]H)(C[5,3x6]C[6,6]2N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){4|C<3>,4|C<4>,6|H<1>}	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5])(C[4x6]C[6,6]2C[6])(N[5,6]C[5]C[6])(H){12|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[5,6a](C[5,5,6,6]C[5,3x6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,4|C<4>,5|H<1>}	120.0710	0.000	1	120.0710	0.000	1	119.7400	0.219	2	116.3310	15.647	4	115.1778	18.385	5	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6,6]	C[5,3x6]	C[5,6a]	4:4:3:4:	4:4:3:1:	4:3:3:	C[5,3x6]-4:C[5,6,6]-4:C[5,6a]-3:C[5]-4:	C[5,5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,6a]C[5])(C[5,6,6]C[6,6]C[5]H)(C[6,6]O[6,6]O)(H)	C[5,6a](C[5,5,6,6]C[5,3x6]C[5,6,6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){1|C<4>,1|O<2>,2|C<3>,2|O<1>,5|H<1>}	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,6a]C[5])(C[5,6,6]C[6,6]C[5]H)(C[6,6]O[6,6]O)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,5,6,6]C[5,3x6]C[5,6,6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,8|H<1>}	112.9220	0.488	2	112.9220	0.238	2	112.9220	0.238	2	116.3310	15.647	4	115.1778	18.385	5	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6,6]	C[5,5,3x6]	C[5,6a]	4:4:3:4:	4:3:2:4:	4:3:3:	C[5,5,3x6]-4:C[5,5,6]-4:C[5,6a]-3:C[6]-4:	C[5,5,6,6]-4:N[5,6,6]-3:O[5,5]-2:C[6,6]-4:	C[5,5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6,6](C[5,5,3x6]N[5,6,6]C[6,6]O[5,5])(C[5,5,6]C[5,5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]N[6]CH)	C[5,5,3x6](C[5,5,6,6]C[5,5,6]C[5,6a]C[6])(N[5,6,6]C[5,6]C[6])(O[5,5]C[5,5,6])(C[6,6]C[6]2C)	C[5,6a](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6,6](C[5,5,3x6]N[5,6,6]C[6,6]O[5,5])(C[5,5,6]C[5,5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]N[6]CH){1|H<1>,1|S<4>,4|C<4>,5|C<3>}	C[5,5,3x6](C[5,5,6,6]C[5,5,6]C[5,6a]C[6])(N[5,6,6]C[5,6]C[6])(O[5,5]C[5,5,6])(C[6,6]C[6]2C){1|C<4>,2|N<3>,2|O<1>,4|C<3>,6|H<1>}	C[5,6a](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,1|S<4>,2|C<3>,2|C<4>,2|N<3>,4|H<1>}	115.0390	0.000	1	115.0390	0.000	1	115.0390	0.000	1	115.0390	0.000	1	115.0390	0.000	1	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6,6]	C[5,5,6,6]	C[5,6a]	4:4:3:4:	4:4:3:1:	4:3:3:	C[5,5,6,6]-4:C[5,3x6]-4:C[5,6a]-3:C[5]-4:	C[5,5,6,6]-4:C[5,3x6]-4:N[5,5]-3:H-1:	C[5,5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6,6](C[5,5,6,6]C[5,3x6]N[5,5]H)(C[5,3x6]C[6,6]2N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5,5,6,6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5])(C[5,3x6]C[6,6]2C[5])(N[5,5]C[5]2)(H)	C[5,6a](C[5,5,6,6]C[5,5,6,6]C[5,3x6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6,6](C[5,5,6,6]C[5,3x6]N[5,5]H)(C[5,3x6]C[6,6]2N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){3|C<4>,4|C<3>,7|H<1>}	C[5,5,6,6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5])(C[5,3x6]C[6,6]2C[5])(N[5,5]C[5]2)(H){10|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5,6,6]C[5,5,6,6]C[5,3x6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,4|C<4>,6|H<1>}	119.4850	0.000	1	119.4850	0.000	1	119.4850	0.000	1	119.4850	0.000	1	119.4850	0.000	1	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6,6]	C[5,6,6]	C[5,5a]	4:3:3:4:	4:3:3:1:	4:3:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,5a]-3:C[5,6,6]-4:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:H-1:	C[5,5,6,6]-4:C[5a,6a]-3:C[5,5a]-3:	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,5a]C[5a,6a]C[5,5a])(C[5,6,6]C[5,6,6a]2H)	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,5a])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(H)	C[5,5a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,5a]C[5a,6a]C[5,5a])(C[5,6,6]C[5,6,6a]2H){10|C<3>,1|N<3>,3|H<1>}	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,5a])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(H){2|C<4>,9|C<3>}	C[5,5a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5]){1|C<4>,1|S<4>,4|H<1>,7|C<3>}	110.8385	0.712	2	110.8385	0.507	2	110.8385	0.507	2	110.8385	0.507	2	110.8385	0.507	2	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6,6]	C[5,6,6]	C[5,6a]	4:4:3:2:	4:4:3:3:	4:3:3:	C[5,6,6]-4:C[5,5,6]-4:C[5,6a]-3:O[5,6]-2:	C[5,5,6,6]-4:C[5,6,6]-4:C[5,6a]-3:C[5]-3:	C[5,5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6,6](C[5,6,6]C[5,6,6]C[5,6a]C[5])(C[5,5,6]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,5,6])	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[5,6a](C[5,5,6,6]C[5,5,6]C[5,6,6]O[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5,6,6](C[5,6,6]C[5,6,6]C[5,6a]C[5])(C[5,5,6]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,5,6]){1|H<1>,1|N<3>,1|O<2>,2|C<4>,2|O<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[5,6a](C[5,5,6,6]C[5,5,6]C[5,6,6]O[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	120.5280	0.000	1	120.5280	0.000	1	120.5280	0.000	1	120.5280	0.000	1	120.5280	0.000	1	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6,6]	C[5,6]	C[5,6,6a]	4:3:3:4:	4:3:4:1:	4:3:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:C[5,6]-4:	C[5,5,6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5a,6,6]C[5,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5,6]C[5,6]O)(C[6]C[6]HH)(H)	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6]C[5,6])(C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5a,6,6]C[5,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6]C[5,6]C[6]H){1|O<1>,3|C<4>,3|H<1>,7|C<3>}	C[5,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5,6]C[5,6]O)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,6|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6]C[5,6])(C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|H<1>,3|C<4>,9|C<3>}	111.1010	0.000	1	111.1010	0.000	1	111.1010	0.000	1	110.5125	0.693	2	110.5125	0.693	2	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6,6]	C[5,6]	C[5,6,6a]	4:3:3:4:	4:3:4:1:	4:3:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5a,6,6]-3:C[5,6]-4:	C[5,5,6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6,6]C[5a,6,6a]C[5a,6,6])(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5a,6,6])(C[5,6]C[5,6]O)(C[6]C[6]HH)(H)	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5a,6,6]C[5,6])(C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6,6]C[5a,6,6a]C[5a,6,6])(C[5,6]C[5,6]C[6]H){1|O<1>,3|C<4>,3|H<1>,7|C<3>}	C[5,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5a,6,6])(C[5,6]C[5,6]O)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,6|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5a,6,6]C[5,6])(C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|H<1>,3|C<4>,9|C<3>}	109.9240	0.000	1	109.9240	0.000	1	109.9240	0.000	1	110.5125	0.693	2	110.5125	0.693	2	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6,6]	C[5,6]	C[5,6a]	4:3:4:3:	4:4:4:1:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:C[6,6]-3:	C[5,5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5,6,6]-4:C[5,6a]-3:C[6a]-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)	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6a]C[6,6])(C[5]O[5]CH)(C[6]C[6]CO)(H)	C[5,6a](C[5,5,6,6]C[5,5,6]C[5,6]C[6,6])(C[5,6a]C[6,6a]O[5])(C[6a]C[6a]H)	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[5,6](C[5,5,6,6]C[5,5,6]C[5,6a]C[6,6])(C[5]O[5]CH)(C[6]C[6]CO)(H){1|O<1>,1|O<2>,5|C<3>}	C[5,6a](C[5,5,6,6]C[5,5,6]C[5,6]C[6,6])(C[5,6a]C[6,6a]O[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	114.8640	1.160	2	114.8640	1.345	2	114.8640	1.345	2	114.8640	1.345	2	114.8527	0.673	3	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6,6]	C[5,6]	C[5,6a]	4:3:4:4:	4:4:3:1:	4:3:3:	C[5,3x6]-4:C[5,6a]-3:C[5,6]-4:C[5,6]-4:	C[5,5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6,6](C[5,3x6]C[3x6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]C)	C[5,6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(C[6]C[6]O)(H)	C[5,6a](C[5,5,6,6]C[5,3x6]C[5,6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6,6](C[5,3x6]C[3x6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]C){1|O<1>,2|C<3>,4|C<4>,7|H<1>}	C[5,6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(C[6]C[6]O)(H){1|N<3>,3|C<3>,3|C<4>,4|H<1>}	C[5,6a](C[5,5,6,6]C[5,3x6]C[5,6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<4>,3|C<3>,3|C<4>,5|H<1>}	114.8300	0.000	1	114.8300	0.000	1	114.8300	0.000	1	114.8300	0.000	1	114.8527	0.673	3	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6,6]	C[5,6]	C[5a,6,6]	4:3:3:4:	4:3:4:1:	4:3:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5a,6,6]-3:C[5,6]-4:	C[5,5,6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[5,5,6,6]-4:C[5a,6,6a]-3:C[5a,6,6]-3:	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6,6]C[5a,6,6a]C[5a,6,6])(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5a,6,6])(C[5,6]C[5,6]O)(C[6]C[6]HH)(H)	C[5a,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6])(C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5a,6,6]C[5a,6,6a]C[5,6,6])	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6,6]C[5a,6,6a]C[5a,6,6])(C[5,6]C[5,6]C[6]H){1|O<1>,3|C<4>,3|H<1>,7|C<3>}	C[5,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5a,6,6])(C[5,6]C[5,6]O)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,6|C<3>}	C[5a,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6])(C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5a,6,6]C[5a,6,6a]C[5,6,6]){1|H<1>,3|C<4>,9|C<3>}	117.5030	0.000	1	117.5030	0.000	1	117.5030	0.000	1	117.5030	0.000	1	117.5030	0.000	1	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6,6]	C[5,6]	C[5a,6]	3:3:3:4:	4:4:1:1:	4:3:3:	N[5,5,6]-3:C[5a,6]-3:N[5,6,6]-3:C[5,6]-4:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5a,6]-3:N[5a]-3:	C[5,5,6,6](N[5,5,6]C[5,5,6,6]C[6])(C[5a,6]C[5a,6]N[5a])(N[5,6,6]C[5,6]C[6])(C[5,6]C[5,6]HH)	C[5,6](C[5,5,6,6]N[5,5,6]N[5,6,6]C[5a,6])(C[5,6]C[5,5,6,6]CC)(H)2	C[5a,6](C[5,5,6,6]N[5,5,6]N[5,6,6]C[5,6])(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[5,5,6,6](N[5,5,6]C[5,5,6,6]C[6])(C[5a,6]C[5a,6]N[5a])(N[5,6,6]C[5,6]C[6])(C[5,6]C[5,6]HH){1|O<1>,3|C<3>,4|C<4>,5|H<1>}	C[5,6](C[5,5,6,6]N[5,5,6]N[5,6,6]C[5a,6])(C[5,6]C[5,5,6,6]CC)(H)2{1|N<3>,2|C<4>,3|C<3>}	C[5a,6](C[5,5,6,6]N[5,5,6]N[5,6,6]C[5,6])(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){3|C<3>,4|C<4>,4|H<1>}	119.8380	0.000	1	119.8380	0.000	1	119.8380	0.000	1	119.8380	0.000	1	120.4430	0.732	2	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6,6]	C[5,6]	C[5a,6]	3:3:3:4:	4:4:4:4:	4:3:3:	N[5,5,6]-3:C[5a,6]-3:C[5,6]-3:C[5,6]-4:	C[5,5,6,6]-4:C[5,6]-4:C-4:C-4:	C[5,5,6,6]-4:C[5a,6]-3:N[5a]-3:	C[5,5,6,6](N[5,5,6]C[5,5,6,6]C[6])(C[5a,6]C[5a,6]N[5a])(C[5,6]N[5,6,6]O)(C[5,6]C[5,6]CC)	C[5,6](C[5,5,6,6]N[5,5,6]C[5a,6]C[5,6])(C[5,6]C[5,5,6,6]HH)(CH3)2	C[5a,6](C[5,5,6,6]N[5,5,6]C[5,6]2)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[5,5,6,6](N[5,5,6]C[5,5,6,6]C[6])(C[5a,6]C[5a,6]N[5a])(C[5,6]N[5,6,6]O)(C[5,6]C[5,6]CC){2|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,5,6,6]N[5,5,6]C[5a,6]C[5,6])(C[5,6]C[5,5,6,6]HH)(CH3)2{1|C<4>,1|O<1>,2|C<3>,2|N<3>}	C[5a,6](C[5,5,6,6]N[5,5,6]C[5,6]2)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,5|C<4>}	121.0480	0.000	1	121.0480	0.000	1	121.0480	0.000	1	121.0480	0.000	1	120.4430	0.732	2	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6,6]	C[5]	C[5,6,6a]	3:3:4:4:	4:3:1:1:	4:3:3:	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:N[5]-3:H-1:H-1:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6,6]C[5,6,6a]2C[5])(C[5]N[5]HH)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(N[5]C[5]C)(H)2	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6,6]C[5,6,6a]2C[5])(C[5]N[5]HH){1|C<4>,2|H<1>,8|C<3>}	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(N[5]C[5]C)(H)2{2|H<1>,6|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,1|N<3>,2|H<1>,8|C<3>}	115.0090	0.000	1	115.0090	0.000	1	115.0090	0.000	1	112.8775	2.939	4	111.9107	7.225	32	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6,6]	C[5]	C[5,6,6a]	3:3:4:4:	4:3:1:1:	4:3:3:	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:N[5]-3:H-1:H-1:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6,6]C[5,6,6a]2C[5])(C[5]N[5]HH)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(N[5]C[5]C)(H)2	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6,6]C[5,6,6a]2C[5])(C[5]N[5]HH){1|C<4>,2|H<1>,8|C<3>}	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(N[5]C[5]C)(H)2{2|H<1>,6|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){1|C<4>,1|N<3>,2|H<1>,8|C<3>}	111.0870	0.000	1	111.0870	0.000	1	111.0870	0.000	1	112.8775	2.939	4	111.9107	7.225	32	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6,6]	C[5]	C[5,6,6a]	3:3:4:4:	4:3:1:1:	4:3:3:	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:N[5]-3:H-1:H-1:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[5a,6,6a]-3:	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,5,6,6]C[5,6,6a]2C[5])(C[5]N[5]HH)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(N[5]C[5]C)(H)2	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,5,6,6]C[5,6,6a]2C[5])(C[5]N[5]HH){1|C<4>,1|H<1>,9|C<3>}	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(N[5]C[5]C)(H)2{1|H<1>,7|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a]){1|C<4>,1|N<3>,2|H<1>,8|C<3>}	112.7070	1.006	2	112.7070	1.011	2	112.7070	1.011	2	112.8775	2.939	4	111.9107	7.225	32	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6,6]	C[5]	C[5,6,6a]	3:3:4:4:	4:3:3:1:	4:3:3:	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:N[5]-3:C-3:H-1:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[5a,6,6a]-3:	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,5,6,6]C[5,6,6a]2C[5])(C[5]N[5]CH)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(N[5]C[5]C)(COO)(H)	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,5,6,6]C[5,6,6a]2C[5])(C[5]N[5]CH){1|C<4>,2|H<1>,8|C<3>}	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(N[5]C[5]C)(COO)(H){2|H<1>,6|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a]){1|C<4>,1|H<1>,1|N<3>,9|C<3>}	112.2325	3.466	2	112.2325	12.010	2	112.2325	12.010	2	112.2325	12.010	2	111.9107	7.225	32	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6,6]	C[5]	C[5,6,6a]	3:3:4:4:	4:3:4:3:	4:3:3:	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:N[5]-3:C-4:C-3:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2C[5])(C[5]N[5]CC)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(N[5]C[5]Ir)(CH3)(COO)	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2C[5])(C[5]N[5]CC){1|Ir<8>,9|C<3>}	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(N[5]C[5]Ir)(CH3)(COO){7|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){10|C<3>,1|C<4>,1|N<3>}	114.6350	0.000	1	114.6350	0.000	1	114.6350	0.000	1	114.1735	0.426	2	111.9107	7.225	32	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6,6]	C[5]	C[5,6,6a]	3:3:4:4:	4:3:4:3:	4:3:3:	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:N[5]-3:C-4:C-3:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[5a,6,6a]-3:	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2C[5])(C[5]N[5]CC)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(N[5]C[5]Ir)(CH3)(COO)	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2C[5])(C[5]N[5]CC){1|Ir<8>,9|C<3>}	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(N[5]C[5]Ir)(CH3)(COO){7|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a]){10|C<3>,1|C<4>,1|N<3>}	113.7120	0.000	1	113.7120	0.000	1	113.7120	0.000	1	114.1735	0.426	2	111.9107	7.225	32	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6,6]	C[5]	C[5,6,6a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:C[5]-4:	C[5,5,6,6]-4:N[5]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[5a,6,6a]-3:	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,5,6,6]C[5,6,6a]2C[5])(C[5]N[5]HH)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(N[5]C[5]CC)(H)2	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,5,6,6]C[5,6,6a]2C[5])(C[5]N[5]HH){2|C<4>,2|H<1>,8|C<3>}	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(N[5]C[5]CC)(H)2{2|H<1>,6|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a]){1|C<4>,1|N<4>,2|H<1>,8|C<3>}	112.0004	2.069	8	112.0004	4.279	8	112.0004	4.279	8	112.0004	4.279	8	111.9107	7.225	32	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6,6]	C[5]	C[5,6,6a]	3:3:4:4:	4:4:3:1:	4:3:3:	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[5]-4:C[6a]-3:H-1:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2Si[5])(C[5]C[6a]C[5]H)	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[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	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[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[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|Si<4>,1|C<4>,1|H<1>,9|C<3>}	108.8350	0.000	1	108.8350	0.000	1	108.8350	0.000	1	111.5755	15.021	2	111.9107	7.225	32	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6,6]	C[5]	C[5,6,6a]	3:3:4:4:	4:4:3:1:	4:3:3:	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[5]-4:C[6a]-3:H-1:	C[5,5,6,6]-4:C[5a,6,6a]-3:C[5,6a,6a]-3:	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2Si[5])(C[5]C[6a]C[5]H)	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[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	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[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[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|Si<4>,1|C<4>,1|H<1>,9|C<3>}	114.3160	0.000	1	114.3160	0.000	1	114.3160	0.000	1	111.5755	15.021	2	111.9107	7.225	32	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6,6]	C[5]	C[5,6,6a]	3:4:4:4:	4:3:3:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,5,6,6]-4:C[5]-4:	C[5,5,6,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-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)	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[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6]C[5])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[5,5,6,6](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[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[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6]C[5])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){1|Re<7>,1|H<1>,1|N<3>,2|C<4>,8|C<3>}	111.5640	0.000	1	111.5640	0.000	1	111.0635	0.501	2	111.3560	0.507	3	111.9107	7.225	32	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6,6]	C[5]	C[5,6,6a]	3:4:4:4:	4:3:3:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,5,6,6]-4:C[5]-4:	C[5,5,6,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-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)	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[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6]C[5])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[5,5,6,6](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[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[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6]C[5])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){1|H<1>,1|N<3>,1|W<7>,2|C<4>,8|C<3>}	110.5630	0.000	1	110.5630	0.000	1	111.0635	0.501	2	111.3560	0.507	3	111.9107	7.225	32	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6,6]	C[5]	C[5,6,6a]	3:4:4:4:	4:3:3:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,5,6,6]-4:C[5]-4:	C[5,5,6,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,5,6,6]-4:C[5a,6,6a]-3:C[5,6a,6a]-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)	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[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6]C[5])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])	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[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[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6]C[5])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5a,6a,6a]C[5,6,6a]){1|Re<6>,1|H<1>,1|N<3>,2|C<4>,8|C<3>}	111.9410	0.000	1	111.9410	0.000	1	111.9410	0.000	1	111.3560	0.507	3	111.9107	7.225	32	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6,6]	C[5]	C[5,6,6a]	3:4:4:4:	4:4:1:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6]-4:C[5]-4:	C[5,5,6,6]-4:C[5]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,5,6,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[5,6]C[6]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]HH)	C[5](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,6])(C[5]C[5,6]HH)(H)2	C[5,6,6a](C[5,5,6,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[5,5,6,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[5,6]C[6]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]HH){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[5](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,6])(C[5]C[5,6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6,6a](C[5,5,6,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	107.5280	0.000	1	107.5280	0.000	1	107.5280	0.000	1	107.5280	0.000	1	111.9107	7.225	32	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6,6]	C[5]	C[5,6,6a]	4:3:3:4:	4:3:1:1:	4:3:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[5]-4:	C[5,5,6,6]-4:N[5]-3:H-1:H-1:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5]N[5]HH)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(N[5]C[5]C)(H)2	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5]N[5]HH){1|H<1>,1|W<7>,2|C<4>,8|C<3>}	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(N[5]C[5]C)(H)2{1|C<4>,1|H<1>,6|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|N<3>,1|W<7>,2|C<4>,2|H<1>,7|C<3>}	116.4740	0.000	1	116.4775	0.000	2	113.4407	27.667	3	111.9440	20.215	6	111.9107	7.225	32	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6,6]	C[5]	C[5,6,6a]	4:3:3:4:	4:3:1:1:	4:3:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[5]-4:	C[5,5,6,6]-4:N[5]-3:H-1:H-1:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5]N[5]HH)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(N[5]C[5]C)(H)2	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5]N[5]HH){1|Re<7>,1|H<1>,2|C<4>,8|C<3>}	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(N[5]C[5]C)(H)2{1|C<4>,1|H<1>,6|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|Re<7>,1|N<3>,2|C<4>,2|H<1>,7|C<3>}	116.4810	0.000	1	116.4775	0.000	2	113.4407	27.667	3	111.9440	20.215	6	111.9107	7.225	32	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6,6]	C[5]	C[5,6,6a]	4:3:3:4:	4:3:1:1:	4:3:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[5]-4:	C[5,5,6,6]-4:N[5]-3:H-1:H-1:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5]N[5]HH)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(N[5]C[5]C)(H)2	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5]N[5]HH){1|Re<7>,1|H<1>,2|C<4>,8|C<3>}	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(N[5]C[5]C)(H)2{1|C<4>,1|H<1>,6|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|N<3>,2|C<4>,2|H<1>,7|C<3>}	107.3670	0.000	1	107.3670	0.000	1	113.4407	27.667	3	111.9440	20.215	6	111.9107	7.225	32	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6,6]	C[5]	C[5,6,6a]	4:3:3:4:	4:3:1:1:	4:3:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[5]-4:	C[5,5,6,6]-4:N[5]-3:H-1:H-1:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5]N[5]HH)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(N[5]C[5]C)(H)2	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5]N[5]HH){1|H<1>,1|W<7>,2|C<4>,8|C<3>}	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(N[5]C[5]C)(H)2{1|C<4>,1|H<1>,6|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){1|N<3>,2|C<4>,2|H<1>,7|C<3>}	106.8610	0.000	1	106.8610	0.000	1	110.8260	31.442	2	111.9440	20.215	6	111.9107	7.225	32	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6,6]	C[5]	C[5,6,6a]	4:3:3:4:	4:3:1:1:	4:3:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[5]-4:	C[5,5,6,6]-4:N[5]-3:H-1:H-1:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5]N[5]HH)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(N[5]C[5]C)(H)2	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5]N[5]HH){1|Re<6>,1|H<1>,2|C<4>,8|C<3>}	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(N[5]C[5]C)(H)2{1|C<4>,1|H<1>,6|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|Re<6>,1|N<3>,2|H<1>,3|C<4>,6|C<3>}	114.7910	0.000	1	114.7910	0.000	1	110.8260	31.442	2	111.9440	20.215	6	111.9107	7.225	32	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6,6]	C[5]	C[5,6,6a]	4:3:3:4:	4:3:1:1:	4:3:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[5]-4:	C[5,5,6,6]-4:N[5]-3:H-1:H-1:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[5a,6,6a]-3:	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5]N[5]HH)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(N[5]C[5]C)(H)2	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5]N[5]HH){1|Re<6>,1|H<1>,2|C<4>,8|C<3>}	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(N[5]C[5]C)(H)2{1|C<4>,1|H<1>,6|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a]){1|N<3>,2|C<4>,2|H<1>,7|C<3>}	109.6900	0.000	1	109.6900	0.000	1	109.6900	0.000	1	111.9440	20.215	6	111.9107	7.225	32	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6,6]	C[5]	C[5,6,6a]	4:3:3:4:	4:3:4:1:	4:3:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:C[5]-4:	C[5,5,6,6]-4:C[5]-3:C-4:H-1:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2)(C[5]C[5]CH)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5]C[5]O)(CH3)(H)	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6]C[5])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2)(C[5]C[5]CH){1|H<1>,1|O<1>,3|C<4>,7|C<3>}	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5]C[5]O)(CH3)(H){1|H<1>,2|C<4>,5|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6]C[5])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|H<1>,4|C<4>,8|C<3>}	113.2040	0.000	1	113.2040	0.000	1	113.2040	0.000	1	113.2425	0.003	2	111.9107	7.225	32	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6,6]	C[5]	C[5,6,6a]	4:3:3:4:	4:3:4:1:	4:3:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:C[5]-4:	C[5,5,6,6]-4:C[5]-3:C-4:H-1:	C[5,5,6,6]-4:C[5a,6,6a]-3:C[5,6a,6a]-3:	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5]C[5]CH)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5]C[5]O)(CH3)(H)	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6]C[5])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5]C[5]CH){1|H<1>,1|O<1>,2|C<4>,7|C<3>}	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5]C[5]O)(CH3)(H){1|C<4>,1|H<1>,6|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6]C[5])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a]){1|H<1>,2|C<4>,9|C<3>}	113.2810	0.000	1	113.2810	0.000	1	113.2810	0.000	1	113.2425	0.003	2	111.9107	7.225	32	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6,6]	C[5]	C[5,6,6a]	4:3:4:4:	4:3:1:1:	4:3:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-4:C[5]-4:	C[5,5,6,6]-4:C[5,5a]-3:H-1:H-1:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,5a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2H)(C[5]C[5,5a]HH)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5,5a]C[5,5a]N[5a])(H)2	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6]C[5])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,5a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2H)(C[5]C[5,5a]HH){1|H<1>,1|N<3>,9|C<3>}	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5,5a]C[5,5a]N[5a])(H)2{1|C<4>,1|H<1>,1|S<4>,7|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6]C[5])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){1|C<4>,3|H<1>,9|C<3>}	108.7490	0.000	1	108.7490	0.000	1	108.7490	0.000	1	108.9610	0.090	2	111.9107	7.225	32	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6,6]	C[5]	C[5,6,6a]	4:3:4:4:	4:3:1:1:	4:3:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-4:C[5]-4:	C[5,5,6,6]-4:C[5,5a]-3:H-1:H-1:	C[5,5,6,6]-4:C[5a,6,6a]-3:C[5,6a,6a]-3:	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,5a])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]2H)(C[5]C[5,5a]HH)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5,5a]C[5,5a]N[5a])(H)2	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6]C[5])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,5a])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]2H)(C[5]C[5,5a]HH){1|H<1>,1|N<3>,9|C<3>}	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5,5a]C[5,5a]N[5a])(H)2{1|C<4>,1|H<1>,1|S<4>,7|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6]C[5])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a]){1|C<4>,3|H<1>,9|C<3>}	109.1730	0.000	1	109.1730	0.000	1	109.1730	0.000	1	108.9610	0.090	2	111.9107	7.225	32	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6,6]	C[5]	C[5,6a]	4:3:4:4:	4:4:1:1:	4:3:3:	C[5,5,6,6]-4:C[5,6a]-3:C[3x6]-4:C[5]-4:	C[5,5,6,6]-4:C[5]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6,6](C[5,5,6,6]C[3x6]C[5]2)(C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2C)(C[5]C[5]HH)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6a]C[3x6])(C[5]C[5]HH)(H)2	C[5,6a](C[5,5,6,6]C[5,5,6,6]C[3x6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5,6,6](C[5,5,6,6]C[3x6]C[5]2)(C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2C)(C[5]C[5]HH){1|O<2>,2|O<1>,4|C<3>,6|H<1>}	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6a]C[3x6])(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,5,6,6]C[5,5,6,6]C[3x6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,3|C<3>,3|H<1>,4|C<4>}	111.0360	0.000	1	111.0360	0.000	1	111.0360	0.000	1	111.0360	0.000	1	111.7818	28.214	6	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6,6]	C[5]	C[5,6a]	4:4:3:4:	4:3:1:1:	4:3:3:	C[5,3x6]-4:C[5,6,6]-4:C[5,6a]-3:C[5]-4:	C[5,5,6,6]-4:C[5]-3:H-1:H-1:	C[5,5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5](C[5,5,6,6]C[5,3x6]C[5,6,6]C[5,6a])(C[5]C[5,6,6]O)(H)2	C[5,6a](C[5,5,6,6]C[5,3x6]C[5,6,6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){1|C<4>,1|O<2>,2|C<3>,2|O<1>,5|H<1>}	C[5](C[5,5,6,6]C[5,3x6]C[5,6,6]C[5,6a])(C[5]C[5,6,6]O)(H)2{3|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,5,6,6]C[5,3x6]C[5,6,6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,8|H<1>}	118.3900	0.366	2	118.3900	0.134	2	118.3900	0.134	2	118.3900	0.134	2	111.7818	28.214	6	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6,6]	C[5]	C[5,6a]	4:4:3:4:	4:4:1:1:	4:3:3:	C[5,3x6]-4:C[5,3x6]-4:C[5,6a]-3:C[5]-4:	C[5,5,6,6]-4:C[5]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6,6](C[5,3x6]C[4x6]N[5,6]H)(C[5,3x6]C[6,6]2N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5](C[5,5,6,6]C[5,3x6]2C[5,6a])(C[5]N[5,6]HH)(H)2	C[5,6a](C[5,5,6,6]C[5,3x6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6,6](C[5,3x6]C[4x6]N[5,6]H)(C[5,3x6]C[6,6]2N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){3|C<4>,4|C<3>,7|H<1>}	C[5](C[5,5,6,6]C[5,3x6]2C[5,6a])(C[5]N[5,6]HH)(H)2{1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[5,6a](C[5,5,6,6]C[5,3x6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,4|C<4>,6|H<1>}	107.0770	0.000	1	107.1805	0.021	2	107.1805	0.021	2	107.6250	0.603	3	111.7818	28.214	6	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6,6]	C[5]	C[5,6a]	4:4:3:4:	4:4:1:1:	4:3:3:	C[5,3x6]-4:C[5,3x6]-4:C[5,6a]-3:C[5]-4:	C[5,5,6,6]-4:C[5]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6,6](C[5,3x6]C[4x6]N[5,6]H)(C[5,3x6]C[6,6]2N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5](C[5,5,6,6]C[5,3x6]2C[5,6a])(C[5]N[5,6]HH)(H)2	C[5,6a](C[5,5,6,6]C[5,3x6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6,6](C[5,3x6]C[4x6]N[5,6]H)(C[5,3x6]C[6,6]2N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){4|C<3>,4|C<4>,6|H<1>}	C[5](C[5,5,6,6]C[5,3x6]2C[5,6a])(C[5]N[5,6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>,4|C<4>}	C[5,6a](C[5,5,6,6]C[5,3x6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,4|C<4>,5|H<1>}	107.2840	0.000	1	107.1805	0.021	2	107.1805	0.021	2	107.6250	0.603	3	111.7818	28.214	6	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6,6]	C[5]	C[5,6a]	4:4:3:4:	4:4:1:1:	4:3:3:	C[5,5,6,6]-4:C[5,3x6]-4:C[5,6a]-3:C[5]-4:	C[5,5,6,6]-4:C[5]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6,6](C[5,5,6,6]C[5,3x6]N[5,5]H)(C[5,3x6]C[6,6]2N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,3x6]C[5,6a])(C[5]N[5,5]HH)(H)2	C[5,6a](C[5,5,6,6]C[5,5,6,6]C[5,3x6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6,6](C[5,5,6,6]C[5,3x6]N[5,5]H)(C[5,3x6]C[6,6]2N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){3|C<4>,4|C<3>,7|H<1>}	C[5](C[5,5,6,6]C[5,5,6,6]C[5,3x6]C[5,6a])(C[5]N[5,5]HH)(H)2{1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[5,6a](C[5,5,6,6]C[5,5,6,6]C[5,3x6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,4|C<4>,6|H<1>}	108.5140	0.000	1	108.5140	0.000	1	108.5140	0.000	1	107.6250	0.603	3	111.7818	28.214	6	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,5,6,6]	C[5,6a]	4:3:4:4:	4:4:3:2:	4:3:3:	C[5,5,6,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-3:O[5]-2:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6,6]C[5,6,6]N[5,6]O[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)	C[5,5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5]C[6]2)(N[5,6]C[5]C[6])(O[5]C[5])	C[5,6a](C[5,5,6]C[5,5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6,6]C[5,6,6]N[5,6]O[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH){1|O<1>,3|C<3>,3|H<1>,5|C<4>}	C[5,5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5]C[6]2)(N[5,6]C[5]C[6])(O[5]C[5]){13|H<1>,1|C<4>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,5,6]C[5,5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	119.0010	0.000	1	119.0010	0.000	1	119.0010	0.000	1	119.0010	0.000	1	119.0010	0.000	1	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6a]	3:4:4:1:	4:4:4:1:	3:3:4:	C[5,6a]-3:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5,5,6]-4:	C[5,5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5,5,6]C[5,5,6]2H)	C[5,5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<3>,4|H<1>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5,5,6]C[5,5,6]2H){1|O<1>,3|C<4>,3|H<1>,4|C<3>}	115.2820	0.000	1	115.2820	0.000	1	115.2820	0.000	1	115.2820	0.000	1	114.6180	4.572	47	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6a]	3:4:4:1:	4:4:4:1:	3:4:3:	C[5,6a]-3:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[6a,6a]-3:C[5,5,6]-4:C[5,6a]-3:	C[5,5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])	C[5,5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H){1|C<4>,4|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<3>,4|H<1>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5]){3|C<4>,4|C<3>,4|H<1>}	114.3190	0.000	1	114.3190	0.000	1	114.3190	0.000	1	114.3190	0.000	1	114.6180	4.572	47	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6a]	4:3:3:3:	4:3:4:3:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:N[5,6]-3:C[5]-3:	C[5,5,6]-4:N[5,6,6]-3:C[5,5]-4:C[5]-3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]N[5,6,6]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5])(C[5]N[5]O)	C[5,5,6](C[5,5,6]C[5,6a]N[5,6]C[5])(N[5,6,6]C[6,6,6a]C[5,6])(C[5,5]C[5,5]C[5]H)(C[5]N[5]O)	C[5,6a](C[5,5,6]C[5,5,6]N[5,6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]N[5,6,6]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5])(C[5]N[5]O){2|H<1>,2|O<1>,3|C<4>,5|C<3>}	C[5,5,6](C[5,5,6]C[5,6a]N[5,6]C[5])(N[5,6,6]C[6,6,6a]C[5,6])(C[5,5]C[5,5]C[5]H)(C[5]N[5]O){1|C<4>,1|N<3>,2|H<1>,2|O<1>,7|C<3>}	C[5,6a](C[5,5,6]C[5,5,6]N[5,6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|N<3>,2|O<1>,3|C<3>}	119.0610	0.000	1	119.0610	0.000	1	119.0610	0.000	1	119.0610	0.000	1	114.6180	4.572	47	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6a]	4:3:3:4:	4:4:4:4:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[5,6a]-3:C[5,6]-4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6a]C[5,6a]C[6a])2(C[5,6]C[5,5,6]CC)	C[5,5,6](C[5,5,6]C[5,6a]2C[5,6])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(CH3)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6a]C[5,6a]C[6a])2(C[5,6]C[5,5,6]CC){1|C<4>,1|O<2>,4|C<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,6a]2C[5,6])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(CH3){2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>,6|C<4>}	114.9320	0.000	1	114.9320	0.000	1	114.6355	0.176	2	114.6355	0.176	2	114.6180	4.572	47	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6a]	4:3:3:4:	4:4:4:4:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[5,6a]-3:C[5,6]-4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6a]C[5,6a]C[6a])2(C[5,6]C[5,5,6]CC)	C[5,5,6](C[5,5,6]C[5,6a]2C[5,6])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(CH3)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]O)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6a]C[5,6a]C[6a])2(C[5,6]C[5,5,6]CC){1|C<4>,1|O<2>,4|C<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,6a]2C[5,6])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(CH3){2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]O){1|H<1>,3|C<3>,7|C<4>}	114.3390	0.000	1	114.3390	0.000	1	114.6355	0.176	2	114.6355	0.176	2	114.6180	4.572	47	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6a]	4:3:4:3:	4:3:2:3:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-3:	C[5,5,6]-4:C[6a]-3:S[5,5]-2:N[5,6]-3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-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)	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[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]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){1|N<2>,2|C<4>,2|H<1>,4|C<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){1|C<4>,1|N<3>,2|H<1>,2|O<1>,5|C<3>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|N<3>,1|O<1>,1|S<2>,2|C<4>,2|H<1>,3|C<3>}	113.4290	0.000	1	113.4290	0.000	1	113.4290	0.000	1	113.4290	0.000	1	114.6180	4.572	47	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6a]	4:3:4:3:	4:4:2:3:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-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[6a]-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)	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[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	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[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[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	112.4380	0.000	1	112.4380	0.000	1	112.4380	0.000	1	112.4380	0.000	1	114.6180	4.572	47	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6a]	4:3:4:3:	4:4:3:2:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-3:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:C-2:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]CH)(C[5]N[5]O)	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,5]C[5,5,6]CH)(C[5,6]O[5,6]N)(CN)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]CH)(C[5]N[5]O){1|N<2>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,5]C[5,5,6]CH)(C[5,6]O[5,6]N)(CN){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,2|C<3>,3|H<1>,4|C<4>}	113.0720	0.000	1	113.0720	0.000	1	113.0720	0.000	1	113.0720	0.000	1	114.6180	4.572	47	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6a]	4:3:4:3:	4:4:4:1:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-3:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]CH)(C[5]N[5]O)	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]CH)(C[5]N[5]O){1|C<4>,3|C<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<2>,1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|C<3>,1|O<1>,4|C<4>,4|H<1>}	111.3540	0.000	1	111.3540	0.000	1	113.3540	8.000	2	113.3540	8.000	2	114.6180	4.572	47	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6a]	4:3:4:3:	4:4:4:1:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-3:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]HH)(C[5]N[5]N)	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]HH)(C[5]N[5]N){1|C<4>,2|C<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|N<2>,1|N<3>,2|C<3>,5|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	115.3540	0.000	1	115.3540	0.000	1	113.3540	8.000	2	113.3540	8.000	2	114.6180	4.572	47	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6a]	4:3:4:4:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5,5,6]-4:C[5,6,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,6,6]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5]H)(C[5]C[5]HH)	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5,6]C[6,6]C)(N[5,5]C[5,6]C[5])(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[5,6,6]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5]H)(C[5]C[5]HH){1|O<2>,3|C<3>,3|H<1>,5|C<4>}	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5,6]C[6,6]C)(N[5,5]C[5,6]C[5])(H){1|N<3>,2|C<3>,2|C<4>,2|O<2>,8|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,4|C<4>,6|H<1>}	117.4415	0.455	2	117.4415	0.207	2	117.4415	0.207	2	115.1617	8.294	4	114.6180	4.572	47	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6a]	4:3:4:4:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5,5,6]-4:C[5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5]C[6]C)(N[5,5]C[5]2)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH){1|H<1>,1|O<1>,1|O<2>,3|C<3>,5|C<4>}	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5]C[6]C)(N[5,5]C[5]2)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,6|H<1>}	114.2760	0.000	1	114.2760	0.000	1	112.8820	3.886	2	115.1617	8.294	4	114.6180	4.572	47	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6a]	4:3:4:4:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5,5,6]-4:C[5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H){1|C<4>,1|N<3>,2|C<3>,2|O<1>,7|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,7|H<1>}	111.4880	0.000	1	111.4880	0.000	1	112.8820	3.886	2	115.1617	8.294	4	114.6180	4.572	47	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6a]	4:3:4:4:	4:4:3:4:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]HH)(C[5]O[5]HO)	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(CCCH)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]HH)(C[5]O[5]HO){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(CCCH){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	116.5910	0.000	1	116.5910	0.000	1	116.5910	0.000	1	116.5910	0.000	1	114.6180	4.572	47	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6a]	4:4:3:1:	4:2:2:4:	4:3:3:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:O[5,5]-2:O[5,6]-2:C-4:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]O[5,5]O[5,6]C)(C[5,6a]C[5,6a]C[6a])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(O[5,5]C[5,5,6])(O[5,6]C[5,6])(CH3)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]O[5,5]O[5,6]C)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,2|C<4>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(O[5,5]C[5,5,6])(O[5,6]C[5,6])(CH3){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	116.6603	0.745	4	116.6603	0.556	4	116.6603	0.556	4	116.6603	0.556	4	114.6180	4.572	47	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6a]	4:4:3:1:	4:3:3:1:	4:3:3:	C[5,5,6]-4:N[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:N[5,5]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(N[5,5,6]Ge[5,5,6]Ge[5]C)(C[5,6a]C[5,6a]C[6a])(H)	C[5,5,6](C[5,5,6]N[5,5,6]C[5,6a]H)(C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]Ge[5,5,6]C)(H)	C[5,6a](C[5,5,6]C[5,5,6]N[5,5,6]H)(C[5,6a]C[6a]Ge[5])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(N[5,5,6]Ge[5,5,6]Ge[5]C)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	C[5,5,6](C[5,5,6]N[5,5,6]C[5,6a]H)(C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]Ge[5,5,6]C)(H){1|Ge<2>,1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,5,6]C[5,5,6]N[5,5,6]H)(C[5,6a]C[6a]Ge[5])(C[6a]C[6a]H){1|Ge<3>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	106.9530	0.000	1	106.9530	0.000	1	106.9530	0.000	1	106.9530	0.000	1	114.6180	4.572	47	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|O<1>,3|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]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[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	116.1490	0.218	2	116.1490	0.047	2	116.0637	0.827	6	116.0637	0.827	6	114.6180	4.572	47	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6a]-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[5,6a]C[5,6a]C[6a])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]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[5,6a]C[5,6a]C[6a])(H){1|O<2>,3|C<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){2|C<3>,2|C<4>,3|H<1>,3|O<2>}	116.9440	0.102	2	116.9440	0.010	2	116.0637	0.827	6	116.0637	0.827	6	114.6180	4.572	47	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6a]-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[5,6a]C[5,6a]C[6a])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)	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[5,6a]C[5,6a]C[6a])(H){1|N<2>,1|O<2>,3|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O){1|N<2>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	115.6670	0.000	1	115.6670	0.000	1	116.0637	0.827	6	116.0637	0.827	6	114.6180	4.572	47	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){4|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]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[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	114.5290	0.000	1	114.5290	0.000	1	116.0637	0.827	6	116.0637	0.827	6	114.6180	4.572	47	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(H)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[5,6]O[6a])(C[6a]C[6a,6a]O)	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(H){2|C<3>,4|C<4>,4|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[5,6]O[6a])(C[6a]C[6a,6a]O){2|H<1>,3|C<3>,4|C<4>}	115.1100	0.000	1	115.1100	0.000	1	113.5581	2.480	9	113.9621	1.687	20	114.6180	4.572	47	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(H)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]O[6a]C[5])(C[6a]C[6a,6a]O)	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(H){2|C<3>,4|C<4>,4|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]O[6a]C[5])(C[6a]C[6a,6a]O){3|C<3>,3|C<4>,3|H<1>}	113.3641	1.564	8	113.3641	2.448	8	113.5581	2.480	9	113.9621	1.687	20	114.6180	4.572	47	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){4|H<1>,5|C<3>}	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){2|C<3>,3|C<4>,4|H<1>}	114.0160	0.000	1	113.6005	0.345	2	113.6005	0.345	2	113.9621	1.687	20	114.6180	4.572	47	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){5|C<3>,5|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){2|C<3>,3|C<4>,4|H<1>}	113.1850	0.000	1	113.6005	0.345	2	113.6005	0.345	2	113.9621	1.687	20	114.6180	4.572	47	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6a]-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[5,6a]C[5,6a]C[6a])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]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[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	113.5910	0.000	1	113.6867	0.816	3	114.4466	1.003	9	113.9621	1.687	20	114.6180	4.572	47	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6a]-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[5,6a]C[5,6a]C[6a])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[5,6a]C[5,6a]C[6a])(H){1|C<4>,3|C<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<3>,4|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	114.6340	0.000	1	113.6867	0.816	3	114.4466	1.003	9	113.9621	1.687	20	114.6180	4.572	47	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6a]-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[5,6a]C[5,6a]C[6a])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[5,6a]C[5,6a]C[6a])(H){1|C<4>,3|C<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<3>,4|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	112.8350	0.000	1	113.6867	0.816	3	114.4466	1.003	9	113.9621	1.687	20	114.6180	4.572	47	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6a]-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[5,6a]C[5,6a]C[6a])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	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[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<3>,4|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){2|C<3>,3|C<4>,4|H<1>}	114.9697	0.699	3	114.9697	0.489	3	114.4466	1.003	9	113.9621	1.687	20	114.6180	4.572	47	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|S<4>,2|C<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|N<3>,2|C<3>,4|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|S<4>,3|C<4>,4|H<1>}	113.3560	0.000	1	114.2710	1.674	2	114.4466	1.003	9	113.9621	1.687	20	114.6180	4.572	47	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,3|C<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|N<3>,2|C<3>,4|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|H<1>,4|C<4>}	115.1860	0.000	1	114.2710	1.674	2	114.4466	1.003	9	113.9621	1.687	20	114.6180	4.572	47	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,2|C<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<2>,2|C<3>,4|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	115.5080	0.000	1	115.5080	0.000	1	114.4466	1.003	9	113.9621	1.687	20	114.6180	4.572	47	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6a]	4:4:3:2:	4:3:2:1:	4:3:3:	C[3x5,6]-4:C[5,5,6]-4:C[5,6a]-3:O-2:	C[5,5,6]-4:C[5,5]-3:S[5,6]-2:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[3x5,6]C[3x5,6]C[5]N[5])(C[5,5,6]C[5,5]S[5,6]H)(C[5,6a]C[5,6a]C[6a])(OH)	C[5,5,6](C[5,5,6]C[3x5,6]C[5,6a]O)(C[5,5]C[3x5,6]O)(S[5,6]C[5,6])(H)	C[5,6a](C[5,5,6]C[3x5,6]C[5,5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5,6](C[3x5,6]C[3x5,6]C[5]N[5])(C[5,5,6]C[5,5]S[5,6]H)(C[5,6a]C[5,6a]C[6a])(OH){1|H<1>,2|C<3>,2|O<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[3x5,6]C[5,6a]O)(C[5,5]C[3x5,6]O)(S[5,6]C[5,6])(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,5,6]C[3x5,6]C[5,5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|C<3>,3|H<1>}	117.0110	0.000	1	117.0110	0.000	1	117.0110	0.000	1	117.0110	0.000	1	114.6180	4.572	47	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5a,6]	4:3:4:4:	4:4:4:2:	4:3:3:	N[5,5,6,6]-4:C[5a,6]-3:C[5,5,6]-4:C-4:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:O-2:	C[5,5,6]-4:C[5a,6]-3:N[5a]-3:	C[5,5,6](N[5,5,6,6]C[5,6]2C[6])(C[5a,6]C[5a,6]N[5a])(C[5,5,6]C[5,6]2O)(CH3)	C[5,5,6](C[5,5,6]N[5,5,6,6]C[5a,6]C)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(OH)	C[5a,6](C[5,5,6]N[5,5,6,6]C[5,5,6]C)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[5,5,6](N[5,5,6,6]C[5,6]2C[6])(C[5a,6]C[5a,6]N[5a])(C[5,5,6]C[5,6]2O)(CH3){10|H<1>,2|C<3>,2|C<4>}	C[5,5,6](C[5,5,6]N[5,5,6,6]C[5a,6]C)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(OH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5a,6](C[5,5,6]N[5,5,6,6]C[5,5,6]C)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){1|O<2>,2|C<3>,2|H<1>,5|C<4>}	121.8320	0.000	1	121.8320	0.000	1	121.8320	0.000	1	121.8320	0.000	1	121.8320	0.000	1	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5a]	4:3:2:3:	4:4:3:1:	4:3:2:	C[5,5,6]-4:C[5a]-3:O[5,5]-2:C[5,6]-3:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5a]-3:O[5a]-2:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5a]C[5a]O[5a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)	C[5,5,6](C[5,5,6]C[5,6]O[5,5]C[5a])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[5a](C[5,5,6]C[5,5,6]C[5,6]O[5,5])(C[5a]C[5a]H)(O[5a]C[5a])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5a]C[5a]O[5a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,6]O[5,5]C[5a])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5a](C[5,5,6]C[5,5,6]C[5,6]O[5,5])(C[5a]C[5a]H)(O[5a]C[5a]){2|C<4>,3|C<3>,3|H<1>}	116.3250	0.000	1	116.3250	0.000	1	116.3250	0.000	1	116.3250	0.000	1	115.7370	0.691	2	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5a]	4:4:4:3:	4:4:4:1:	4:3:2:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:C[5a]-3:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:N[5a]-3:N[5a]-2:	C[5,5,6](C[5,5,6]C[5,6]2H)(C[5,6]C[5,6,6]HH)2(C[5a]N[5a]2)	C[5,5,6](C[5,5,6]C[5,6]2C[5a])(C[5,6]C[5,6,6]HH)2(H)	C[5a](C[5,5,6]C[5,5,6]C[5,6]2)(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	C[5,5,6](C[5,5,6]C[5,6]2H)(C[5,6]C[5,6,6]HH)2(C[5a]N[5a]2){1|C<4>,2|C<3>,7|H<1>}	C[5,5,6](C[5,5,6]C[5,6]2C[5a])(C[5,6]C[5,6,6]HH)2(H){1|C<4>,1|N<2>,1|N<3>,6|H<1>}	C[5a](C[5,5,6]C[5,5,6]C[5,6]2)(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|C<3>,1|N<3>,4|C<4>,5|H<1>}	115.1490	0.000	1	115.1490	0.000	1	115.1490	0.000	1	115.1490	0.000	1	115.7370	0.691	2	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[5a,6]	3:3:4:4:	4:4:4:1:	4:3:3:	C[5a,6]-3:N[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[5a,6]-3:N[5a]-3:	C[5,5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](C[5,5,6]C[5a,6]N[5,6]C[5])(C[5]C[5]HH)2(H)	C[5a,6](C[5,5,6]C[5,5]N[5,6]C[5])(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[5,5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5,5]C[5]2H)(C[5]C[5]HH){1|O<1>,2|C<3>,2|C<4>,8|H<1>}	C[5,5](C[5,5,6]C[5a,6]N[5,6]C[5])(C[5]C[5]HH)2(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[5a,6](C[5,5,6]C[5,5]N[5,6]C[5])(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){3|C<3>,4|C<4>,5|H<1>}	116.4180	0.000	1	116.4180	0.000	1	116.4180	0.000	1	116.4180	0.000	1	116.4180	0.000	1	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,6,6]	C[5,6a]	3:4:4:4:	4:4:4:1:	4:3:3:	C[5,6a]-3:C[5,6,6]-4:C[5,6]-4:C[5]-4:	C[5,5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,5,6]-4:C[6a,6a]-3:C[5,6a]-3:	C[5,5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]H)(C[5]C[5,6]HH)	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]HH)(C[6,6]C[6,6]HH)(H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])	C[5,5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]H)(C[5]C[5,6]HH){2|C<4>,3|C<3>,7|H<1>}	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]HH)(C[6,6]C[6,6]HH)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5]){3|C<3>,4|C<4>,6|H<1>}	109.3040	0.000	1	109.3040	0.000	1	109.3040	0.000	1	109.3040	0.000	1	116.4850	6.482	108	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,6,6]	C[5,6a]	4:3:3:4:	4:3:3:1:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,5,6]-4:N[5,6]-3:C[6,6]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6,6]O)(H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6,6]O)(H){1|C<4>,1|N<3>,3|C<3>,7|H<1>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	119.7080	0.000	1	119.7080	0.000	1	119.7080	0.000	1	119.7080	0.000	1	116.4850	6.482	108	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,6,6]	C[5,6a]	4:3:3:4:	4:3:4:1:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,5,6]-4:N[5,5,6]-3:C[6,6]-4:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]N[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5,5]HH)	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,5,6]C[5,5]O[5,6])(C[6,6]C[6,6]HH)(H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6]N[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5,5]HH){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,5,6]C[5,5]O[5,6])(C[6,6]C[6,6]HH)(H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	120.0160	0.000	1	119.8030	0.091	2	119.8030	0.091	2	118.5950	2.193	7	116.4850	6.482	108	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,6,6]	C[5,6a]	4:3:3:4:	4:3:4:1:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,5,6]-4:N[5,5,6]-3:C[6,6]-4:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]N[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5,5]HH)	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,5,6]C[5,5]O[5,6])(C[6,6]C[6,6]HH)(H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6]N[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5,5]HH){2|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,5,6]C[5,5]O[5,6])(C[6,6]C[6,6]HH)(H){1|N<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	119.5900	0.000	1	119.8030	0.091	2	119.8030	0.091	2	118.5950	2.193	7	116.4850	6.482	108	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,6,6]	C[5,6a]	4:3:3:4:	4:3:4:1:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5,6]C[5])(C[6,6]C[6]2C)(H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){3|C<3>,4|C<4>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5,6]C[5])(C[6,6]C[6]2C)(H){1|C<4>,1|N<3>,1|O<2>,4|C<3>,8|H<1>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|O<2>,4|H<1>}	117.3083	1.195	3	117.3083	1.429	3	118.1118	2.246	5	118.5950	2.193	7	116.4850	6.482	108	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,6,6]	C[5,6a]	4:3:3:4:	4:3:4:1:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){3|C<3>,4|C<4>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,9|H<1>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H){1|N<3>,2|C<3>,3|C<4>,5|H<1>}	120.1180	0.000	1	120.1180	0.000	1	118.1118	2.246	5	118.5950	2.193	7	116.4850	6.482	108	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,6,6]	C[5,6a]	4:3:3:4:	4:3:4:1:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){3|C<4>,4|C<3>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H){1|N<3>,4|C<3>,9|H<1>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	118.5160	0.000	1	118.5160	0.000	1	118.1118	2.246	5	118.5950	2.193	7	116.4850	6.482	108	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,6,6]	C[5,6a]	4:3:3:4:	4:4:3:1:	4:3:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6a]-3:C[5]-4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6,6]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]CH)(N[5,6]C[5]C[6])(H)	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6,6]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){3|C<3>,4|C<4>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]CH)(N[5,6]C[5]C[6])(H){1|C<4>,1|N<3>,3|C<3>,7|H<1>}	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	119.9340	0.000	1	119.9340	0.000	1	119.9340	0.000	1	120.0052	2.722	17	116.4850	6.482	108	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,6,6]	C[5,6a]	4:3:3:4:	4:4:3:1:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,5,6]-4:C[3,6,6]-4:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]C[3,6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[3,6,6]C[6,6]C[3]O[3])(N[5,6]C[5]C[6])(H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6]C[3,6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[3,6,6]C[6,6]C[3]O[3])(N[5,6]C[5]C[6])(H){1|N<3>,2|C<4>,3|C<3>,8|H<1>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	122.2000	0.000	1	122.2000	0.000	1	122.2000	0.000	1	120.0052	2.722	17	116.4850	6.482	108	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,6,6]	C[5,6a]	4:3:3:4:	4:4:3:1:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){3|C<3>,4|C<4>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(H){11|H<1>,1|N<3>,1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H){1|N<3>,2|C<3>,3|C<4>,5|H<1>}	118.7760	0.000	1	118.7760	0.000	1	119.2657	0.321	4	120.0052	2.722	17	116.4850	6.482	108	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,6,6]	C[5,6a]	4:3:3:4:	4:4:3:1:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){3|C<3>,4|C<4>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(H){10|H<1>,1|N<3>,2|C<4>,2|O<2>,3|C<3>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	119.1170	0.000	1	119.4290	0.321	3	119.2657	0.321	4	120.0052	2.722	17	116.4850	6.482	108	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,6,6]	C[5,6a]	4:3:3:4:	4:4:3:1:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){3|C<3>,4|C<4>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(H){11|H<1>,1|N<3>,1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	119.5850	0.704	2	119.4290	0.321	3	119.2657	0.321	4	120.0052	2.722	17	116.4850	6.482	108	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,6,6]	C[5,6a]	4:3:3:4:	4:4:3:1:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]Cl2)	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]Cl2){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){2|Cl<1>,1|C<4>,1|N<2>,1|O<1>,3|C<3>,3|H<1>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|Cl<1>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	123.8660	0.000	1	123.8660	0.000	1	120.0810	3.552	11	120.0052	2.722	17	116.4850	6.482	108	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,6,6]	C[5,6a]	4:3:3:4:	4:4:3:1:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[3,6]C[6]C)(N[5,6]C[5]C[6])(H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){3|C<3>,3|H<1>,4|C<4>}	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[3,6]C[6]C)(N[5,6]C[5]C[6])(H){1|C<4>,1|N<2>,1|O<2>,3|C<3>,9|H<1>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	118.6420	0.000	1	119.7950	1.006	3	120.0810	3.552	11	120.0052	2.722	17	116.4850	6.482	108	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,6,6]	C[5,6a]	4:3:3:4:	4:4:3:1:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[3,6]C[6]C)(N[5,6]C[5]C[6])(H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){3|C<3>,4|C<4>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[3,6]C[6]C)(N[5,6]C[5]C[6])(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,9|H<1>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H){1|N<3>,2|C<3>,3|C<4>,5|H<1>}	120.3715	0.131	2	119.7950	1.006	3	120.0810	3.552	11	120.0052	2.722	17	116.4850	6.482	108	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,6,6]	C[5,6a]	4:3:3:4:	4:4:3:1:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){2|C<4>,3|C<3>,6|H<1>}	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|C<4>,1|N<3>,3|C<3>,7|H<1>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	120.9725	0.422	2	119.3467	2.703	6	120.0810	3.552	11	120.0052	2.722	17	116.4850	6.482	108	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,6,6]	C[5,6a]	4:3:3:4:	4:4:3:1:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){2|C<4>,3|C<3>,6|H<1>}	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|C<4>,1|N<3>,3|C<3>,7|H<1>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	120.2040	0.000	1	119.3467	2.703	6	120.0810	3.552	11	120.0052	2.722	17	116.4850	6.482	108	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,6,6]	C[5,6a]	4:3:3:4:	4:4:3:1:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){2|C<4>,3|C<3>,6|H<1>}	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|N<3>,4|C<3>,7|H<1>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	117.9770	0.918	3	119.3467	2.703	6	120.0810	3.552	11	120.0052	2.722	17	116.4850	6.482	108	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,6,6]	C[5,6a]	4:3:3:4:	4:4:3:1:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HS)	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]CO)(N[5,6]C[5]C[6])(H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HS){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]CO)(N[5,6]C[5]C[6])(H){1|C<4>,1|N<3>,1|S<2>,3|C<3>,6|H<1>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|S<2>,2|C<3>,2|C<4>,5|H<1>}	121.5600	0.000	1	121.5600	0.000	1	120.0810	3.552	11	120.0052	2.722	17	116.4850	6.482	108	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,6,6]	C[5,6a]	4:3:4:4:	4:3:4:1:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH){1|O<2>,3|C<3>,3|H<1>,5|C<4>}	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H){10|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,4|C<4>,6|H<1>}	113.5673	0.403	4	114.6526	7.416	14	114.6526	7.416	14	114.6526	7.416	14	116.4850	6.482	108	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,6,6]	C[5,6a]	4:3:4:4:	4:3:4:1:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH){1|O<2>,3|C<3>,3|H<1>,5|C<4>}	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H){11|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,4|C<4>,6|H<1>}	112.1460	0.000	1	114.6526	7.416	14	114.6526	7.416	14	114.6526	7.416	14	116.4850	6.482	108	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,6,6]	C[5,6a]	4:3:4:4:	4:3:4:1:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH){1|O<2>,3|C<4>,3|H<1>,5|C<3>}	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,9|H<1>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,6|H<1>}	114.0990	0.000	1	114.6526	7.416	14	114.6526	7.416	14	114.6526	7.416	14	116.4850	6.482	108	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,6,6]	C[5,6a]	4:3:4:4:	4:3:4:1:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH){1|O<2>,3|H<1>,4|C<3>,4|C<4>}	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,9|H<1>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,4|C<4>,6|H<1>}	111.8240	0.086	2	114.6526	7.416	14	114.6526	7.416	14	114.6526	7.416	14	116.4850	6.482	108	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,6,6]	C[5,6a]	4:3:4:4:	4:3:4:1:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH){1|O<2>,3|H<1>,4|C<3>,4|C<4>}	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,9|H<1>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,5|C<4>,5|H<1>}	113.2855	1.228	2	114.6526	7.416	14	114.6526	7.416	14	114.6526	7.416	14	116.4850	6.482	108	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,6,6]	C[5,6a]	4:3:4:4:	4:3:4:1:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH){2|C<3>,4|C<4>,6|H<1>}	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H){11|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,7|H<1>}	118.6010	0.580	4	114.6526	7.416	14	114.6526	7.416	14	114.6526	7.416	14	116.4850	6.482	108	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,6,6]	C[5,6a]	4:3:4:4:	4:4:3:1:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[5]C[5]HH)	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[5]C[5]HH){3|H<1>,4|C<3>,5|C<4>}	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(H){11|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,4|C<4>,6|H<1>}	118.6500	0.000	1	118.6500	0.000	1	117.7760	1.528	2	116.5053	5.608	3	116.4850	6.482	108	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,6,6]	C[5,6a]	4:3:4:4:	4:4:3:1:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH){2|C<3>,4|C<4>,6|H<1>}	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(H){12|H<1>,1|N<3>,1|O<2>,2|C<3>,3|C<4>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,3|C<4>,6|H<1>}	116.9020	0.000	1	116.9020	0.000	1	117.7760	1.528	2	116.5053	5.608	3	116.4850	6.482	108	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,6,6]	C[5,6a]	4:3:4:4:	4:4:3:1:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|C<4>,1|N<3>,3|C<3>,8|H<1>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,7|H<1>}	113.9640	0.000	1	113.9640	0.000	1	113.9640	0.000	1	116.5053	5.608	3	116.4850	6.482	108	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,6,6]	C[5,6a]	4:4:3:4:	4:4:3:1:	4:3:3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6a]-3:C[5]-4:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,6,6]C[6,6]N[5,6]O)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(H)	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,6,6]C[6,6]N[5,6]O)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){2|C<3>,4|H<1>,6|C<4>}	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(H){11|H<1>,1|N<3>,2|C<3>,2|O<2>,3|C<4>}	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|O<2>,4|C<4>,4|H<1>}	122.2740	0.000	1	122.2740	0.000	1	122.2740	0.000	1	117.2415	5.281	12	116.4850	6.482	108	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,6,6]	C[5,6a]	4:4:3:4:	4:4:3:1:	4:3:3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6a]-3:C[5]-4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[3,6]C[6]C)(N[5,6]C[5]C[6])(H)	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){2|C<3>,4|H<1>,6|C<4>}	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[3,6]C[6]C)(N[5,6]C[5]C[6])(H){10|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,4|C<4>,6|H<1>}	121.4490	0.000	1	121.4490	0.000	1	116.7840	3.046	11	117.2415	5.281	12	116.4850	6.482	108	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,6,6]	C[5,6a]	4:4:3:4:	4:4:3:1:	4:3:3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6a]-3:C[5]-4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){3|C<3>,3|C<4>,6|H<1>}	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|C<4>,1|N<3>,3|C<3>,8|H<1>}	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	116.3750	0.882	9	116.3175	0.725	10	116.7840	3.046	11	117.2415	5.281	12	116.4850	6.482	108	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,6,6]	C[5,6a]	4:4:3:4:	4:4:3:1:	4:3:3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6a]-3:C[5]-4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){3|C<3>,3|C<4>,6|H<1>}	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|N<3>,2|C<3>,2|C<4>,8|H<1>}	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	115.8000	0.000	1	116.3175	0.725	10	116.7840	3.046	11	117.2415	5.281	12	116.4850	6.482	108	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,6,6]	C[5,6a]	4:4:3:4:	4:4:4:1:	4:3:3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6a]-3:C[5]-4:	C[5,5,6]-4:N[5,6]-4:C[6,6]-4:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5,6]C[5]C[6]H)(C[6,6]C[6,6]HH)(H)	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){2|C<3>,4|C<4>,7|H<1>}	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5,6]C[5]C[6]H)(C[6,6]C[6,6]HH)(H){1|C<4>,1|N<3>,3|C<3>,8|H<1>}	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<4>,4|C<4>,6|H<1>}	117.5320	0.000	1	115.4635	1.119	53	115.4635	1.119	53	115.4635	1.119	53	116.4850	6.482	108	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,6,6]	C[5,6a]	4:4:3:4:	4:4:4:1:	4:3:3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6a]-3:C[5]-4:	C[5,5,6]-4:N[5,6]-4:C[6,6]-4:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5,6]C[5]C[6]H)(C[6,6]C[6,6]HH)(H)	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){3|C<3>,3|C<4>,7|H<1>}	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5,6]C[5]C[6]H)(C[6,6]C[6,6]HH)(H){1|C<4>,1|N<3>,3|C<3>,8|H<1>}	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|N<4>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	115.4623	1.066	39	115.4635	1.119	53	115.4635	1.119	53	115.4635	1.119	53	116.4850	6.482	108	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,6,6]	C[5,6a]	4:4:3:4:	4:4:4:1:	4:3:3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6a]-3:C[5]-4:	C[5,5,6]-4:N[5,6]-4:C[6,6]-4:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5,6]C[5]C[6]H)(C[6,6]C[6,6]HH)(H)	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){3|C<3>,3|C<4>,7|H<1>}	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5,6]C[5]C[6]H)(C[6,6]C[6,6]HH)(H){1|C<4>,1|N<3>,3|C<3>,8|H<1>}	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|N<4>,2|C<3>,3|C<4>,6|H<1>}	115.3080	0.934	13	115.4635	1.119	53	115.4635	1.119	53	115.4635	1.119	53	116.4850	6.482	108	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6a]	3:3:3:4:	4:4:3:3:	4:3:3:	C[5,5,6]-3:C[5,6a]-3:C[5,6]-3:C[5,6]-4:	C[5,5,6]-4:C[5]-4:C[6]-3:C[6]-3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]2)	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[5]C[5,5,6]HH)(C[6]C[6]H)2	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]2){10|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[5]C[5,5,6]HH)(C[6]C[6]H)2{2|C<4>,8|C<3>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|Cl<1>,2|C<4>,6|C<3>}	118.2820	0.000	1	118.2820	0.000	1	118.2820	0.000	1	118.2820	0.000	1	114.4088	9.648	59	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6a]	3:3:4:4:	4:4:4:1:	3:4:3:	C[5,6a]-3:C[5,6]-3:C[5,6]-4:C[5,6]-4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)2	C[5,6](C[5,5,6]C[5,6a]C[5,6]2)(C[5]C[5,6]HH)(C[6]C[6]HH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5,6]C[5,6]3)(C[6a]C[6a]O)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)2{1|C<4>,1|O<1>,1|O<2>,4|C<3>,8|H<1>}	C[5,6](C[5,5,6]C[5,6a]C[5,6]2)(C[5]C[5,6]HH)(C[6]C[6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5,6]C[5,6]3)(C[6a]C[6a]O){3|C<3>,3|C<4>,6|H<1>}	111.0130	0.000	1	111.0130	0.000	1	111.0130	0.000	1	111.0130	0.000	1	114.4088	9.648	59	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6a]	3:3:4:4:	4:4:4:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,6]-4:C[5,6]-4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6a]C[5,6a]C[6a])2(C[5,6]C[5]C[6]H)2	C[5,6](C[5,5,6]C[5,6a]2C[5,6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H)	C[5,6a](C[5,5,6]C[5,6a]C[5,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])2(C[5,6]C[5]C[6]H)2{10|H<1>,1|C<4>,4|C<3>}	C[5,6](C[5,5,6]C[5,6a]2C[5,6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,5,6]C[5,6a]C[5,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){3|C<4>,4|C<3>,5|H<1>}	113.9535	5.870	2	113.9535	34.453	2	113.4302	6.544	16	113.4302	6.544	16	114.4088	9.648	59	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6a]	3:3:4:4:	4:4:4:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,6]-4:C[5,6]-4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6a]C[5,6a]C[6a])2(C[5,6]C[5]C[6]H)2	C[5,6](C[5,5,6]C[5,6a]2C[5,6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H)	C[5,6a](C[5,5,6]C[5,6a]C[5,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5,5,6](C[5,6a]C[5,6a]C[6a])2(C[5,6]C[5]C[6]H)2{1|C<4>,2|O<2>,4|C<3>,8|H<1>}	C[5,6](C[5,5,6]C[5,6a]2C[5,6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,5,6]C[5,6a]C[5,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|Br<1>,3|C<3>,3|C<4>,5|H<1>}	114.3275	5.205	2	113.3554	4.853	14	113.4302	6.544	16	113.4302	6.544	16	114.4088	9.648	59	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6a]	3:3:4:4:	4:4:4:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,6]-4:C[5,6]-4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6a]C[5,6a]C[6a])2(C[5,6]C[5]C[6]H)2	C[5,6](C[5,5,6]C[5,6a]2C[5,6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H)	C[5,6a](C[5,5,6]C[5,6a]C[5,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5,5,6](C[5,6a]C[5,6a]C[6a])2(C[5,6]C[5]C[6]H)2{1|C<4>,2|O<2>,4|C<3>,8|H<1>}	C[5,6](C[5,5,6]C[5,6a]2C[5,6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,5,6]C[5,6a]C[5,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){3|C<3>,3|C<4>,6|H<1>}	113.1934	1.753	12	113.3554	4.853	14	113.4302	6.544	16	113.4302	6.544	16	114.4088	9.648	59	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6a]	3:4:2:3:	4:4:4:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:O[5,6]-2:C[5]-3:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5,6]C[5,6])(C[5]C[5]C)	C[5,6](C[5,5,6]C[5,6a]O[5,6]C[5])(C[5]C[5]ClH)(C[6]C[6]HH)(H)	C[5,6a](C[5,5,6]C[5,6]O[5,6]C[5])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5,6]C[5,6])(C[5]C[5]C){1|Cl<1>,1|C<4>,2|C<3>,7|H<1>}	C[5,6](C[5,5,6]C[5,6a]O[5,6]C[5])(C[5]C[5]ClH)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,5,6]C[5,6]O[5,6]C[5])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|C<3>,4|C<4>,4|H<1>}	112.6170	0.000	1	112.6170	0.000	1	112.6170	0.000	1	112.6170	0.000	1	114.4088	9.648	59	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6a]	3:4:3:2:	4:3:4:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5,5]-3:O[5,6]-2:	C[5,5,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5,5]C[5]N[5])(O[5,6]C[5,6])	C[5,6](C[5,5,6]C[5,6a]C[5,5]O[5,6])(C[5,6]C[5,6]O)(C[5]C[5]HH)(H)	C[5,6a](C[5,5,6]C[5,5]C[5,6]O[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5,5]C[5]N[5])(O[5,6]C[5,6]){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,6a]C[5,5]O[5,6])(C[5,6]C[5,6]O)(C[5]C[5]HH)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,6a](C[5,5,6]C[5,5]C[5,6]O[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	114.5930	0.000	1	114.5930	0.000	1	114.5930	0.000	1	114.5930	0.000	1	114.4088	9.648	59	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6a]	3:4:3:3:	4:3:3:3:	3:4:3:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:C[5]-3:	C[5,6a,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6]C[6a]C[5])(C[5,6]C[5,6a]C[6])(C[5]C[6a]C[5])	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5,6]C[5,6]2C[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6]C[6a]C[5])(C[5,6]C[5,6a]C[6])(C[5]C[6a]C[5]){11|C<3>,1|H<1>,1|O<1>}	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]O){11|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5,6]C[5,6]2C[5])(C[6a]C[6a]H){1|H<1>,9|C<3>}	116.3550	0.000	1	116.3550	0.000	1	116.3550	0.000	1	116.3550	0.000	1	114.4088	9.648	59	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6a]	3:4:3:3:	4:3:4:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:N[5]-3:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5,6]N[5]N[6])(N[5]C[5,6a]C)	C[5,6](C[5,5,6]C[5,6a]C[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(C[6]N[6]HO)(H)	C[5,6a](C[5,5,6]C[5,6]2N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5,6]N[5]N[6])(N[5]C[5,6a]C){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	C[5,6](C[5,5,6]C[5,6a]C[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(C[6]N[6]HO)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,5|C<3>}	C[5,6a](C[5,5,6]C[5,6]2N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<2>,2|C<4>,3|H<1>,4|C<3>}	117.8390	0.000	1	117.8390	0.000	1	117.8390	0.000	1	117.8390	0.000	1	114.4088	9.648	59	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6a]	3:4:3:4:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,5,6]-4:C[6]-3:N[5]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]C)(N[5]C[5]C)(H)	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5,6]C[6]N[5])(C[5]C[5]HH){2|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]C)(N[5]C[5]C)(H){1|N<3>,3|C<3>,6|H<1>}	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	115.3220	0.000	1	115.3220	0.000	1	115.3220	0.000	1	113.6380	5.672	2	114.4088	9.648	59	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6a]	3:4:3:4:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:N[5,6]-3:C[5]-4:	C[5,5,6]-4:C[6,6a]-3:N[5]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-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)	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[5,6a](C[5,5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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){1|C<4>,2|O<1>,3|H<1>,4|C<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){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[5,6a](C[5,5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	111.9540	0.000	1	111.9540	0.000	1	111.9540	0.000	1	113.6380	5.672	2	114.4088	9.648	59	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6a]	3:4:3:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,5,6]-4:C[5,3x6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,3x6]HH)(C[5,6]C[3x6]N[5])(C[5]C[5,6,6]HO)	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,3x6]C[5,6,6]N[4x6]H)(H)2	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,3x6]HH)(C[5,6]C[3x6]N[5])(C[5]C[5,6,6]HO){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,3x6]C[5,6,6]N[4x6]H)(H)2{1|N<2>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	119.7810	0.000	1	119.7810	0.000	1	119.7810	0.000	1	119.7810	0.000	1	114.4088	9.648	59	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6a]	3:4:3:4:	4:4:4:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5,6]HH)	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5,6]HH){1|S<4>,2|C<4>,3|C<3>,6|H<1>}	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|N<3>,2|C<4>,4|C<3>,6|H<1>}	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|S<4>,2|C<3>,3|C<4>,5|H<1>}	118.3170	0.000	1	118.3170	0.000	1	118.3170	0.000	1	118.3170	0.000	1	114.4088	9.648	59	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6a]	3:4:4:4:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5,5]-4:C[6]-4:	C[5,5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5,5]N[5]2H)(C[6]C[6]HH)	C[5,6](C[5,5,6]C[5,6a]C[5,5]C[6])(C[5]N[5]O)(C[6]N[6]O)(H)	C[5,6a](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5,5]N[5]2H)(C[6]C[6]HH){1|N<3>,2|O<1>,3|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,6a]C[5,5]C[6])(C[5]N[5]O)(C[6]N[6]O)(H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,7|H<1>}	114.2370	0.000	1	114.2370	0.000	1	114.2370	0.000	1	114.1035	0.036	2	114.4088	9.648	59	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6a]	3:4:4:4:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5,6]-4:C[5]-4:	C[5,5,6]-4:C[6]-3:N[5]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)2(C[5]C[5]HH)	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]C)(N[5]C[5]C)(H)	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)2(C[5]C[5]HH){1|S<4>,2|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]C)(N[5]C[5]C)(H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|S<4>,2|C<3>,2|C<4>,6|H<1>}	113.9700	0.000	1	113.9700	0.000	1	113.9700	0.000	1	114.1035	0.036	2	114.4088	9.648	59	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6a]	3:4:4:4:	4:4:2:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5,6]-4:C[5]-4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]HI)(O[5]C[5])(H)	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]N[6a]C[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|I<1>,1|N<2>,1|O<1>,6|H<1>}	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]HI)(O[5]C[5])(H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]N[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	108.0980	0.000	1	108.0980	0.000	1	108.0980	0.000	1	108.0980	0.000	1	114.4088	9.648	59	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6a]	3:4:4:4:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6]H)(C[6]C[5a]C[6]H)	C[5,6](C[5,5,6]C[5,6a]C[5,5]C[6])(C[6]N[6]HH)(C[5]C[5]H)(H)	C[5,6a](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6]H)(C[6]C[5a]C[6]H){1|C<4>,1|N<3>,4|C<3>,7|H<1>}	C[5,6](C[5,5,6]C[5,6a]C[5,5]C[6])(C[6]N[6]HH)(C[5]C[5]H)(H){1|C<4>,1|N<3>,1|S<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){3|C<4>,4|C<3>,5|H<1>}	112.5120	0.000	1	112.5120	0.000	1	111.4953	2.320	3	112.1274	4.217	5	114.4088	9.648	59	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6a]	3:4:4:4:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)	C[5,6](C[5,5,6]C[5,6a]C[5,5]C[6])(C[6]N[6]HH)(C[5]C[5]H)(H)	C[5,6a](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H){1|C<4>,1|N<3>,4|C<3>,7|H<1>}	C[5,6](C[5,5,6]C[5,6a]C[5,5]C[6])(C[6]N[6]HH)(C[5]C[5]H)(H){1|C<4>,1|N<3>,1|S<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,3|C<4>,4|C<3>,4|H<1>}	112.2300	0.000	1	110.9870	3.090	2	111.4953	2.320	3	112.1274	4.217	5	114.4088	9.648	59	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6a]	3:4:4:4:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)	C[5,6](C[5,5,6]C[5,6a]C[5,5]C[6])(C[6]N[6]HH)(C[5]C[5]H)(H)	C[5,6a](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H){1|C<4>,1|N<3>,4|C<3>,7|H<1>}	C[5,6](C[5,5,6]C[5,6a]C[5,5]C[6])(C[6]N[6]HH)(C[5]C[5]H)(H){1|C<4>,1|N<3>,1|S<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|Cl<1>,3|C<4>,3|H<1>,4|C<3>}	109.7440	0.000	1	110.9870	3.090	2	111.4953	2.320	3	112.1274	4.217	5	114.4088	9.648	59	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6a]	3:4:4:4:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5,6]-4:C[5]-4:	C[5,5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)2(C[5]C[5]HH)	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]HH)(N[5]C[5]C)(H)	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)2(C[5]C[5]HH){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]HH)(N[5]C[5]C)(H){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,7|H<1>}	115.2240	0.000	1	113.0755	9.232	2	113.0755	9.232	2	112.1274	4.217	5	114.4088	9.648	59	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6a]	3:4:4:4:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5,6]-4:C[5]-4:	C[5,5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)2(C[5]C[5]HH)	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]HH)(N[5]C[5]C)(H)	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)2(C[5]C[5]HH){1|C<4>,5|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<4>,1|N<2>,1|O<1>,3|C<3>,4|H<1>}	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,6|H<1>}	110.9270	0.000	1	113.0755	9.232	2	113.0755	9.232	2	112.1274	4.217	5	114.4088	9.648	59	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6a]	3:4:4:4:	4:4:3:2:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5,6]-4:C[5]-4:	C[5,5,6]-4:C[6]-4:N[5]-3:O-2:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[5,6]C[6]N[5]O)(C[5]C[5]HH)	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]HH)(N[5]C[5]C)(OH)	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]C)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[5,6]C[6]N[5]O)(C[5]C[5]HH){2|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]HH)(N[5]C[5]C)(OH){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]C){1|C<3>,1|N<3>,2|O<2>,3|C<4>,4|H<1>}	106.9735	1.013	2	106.9735	1.027	2	106.9735	1.027	2	106.9735	1.027	2	114.4088	9.648	59	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6a]	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[5,6a,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[5,6a](C[5,5,6]C[5,5,6]C[6,6a]C[5,6])(C[5,6a,6a]C[6a,6a]C[5,6a])(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[5,6a](C[5,5,6]C[5,5,6]C[6,6a]C[5,6])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,7|C<3>}	116.2770	0.000	1	116.2770	0.000	1	116.2770	0.000	1	116.2770	0.000	1	114.4088	9.648	59	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6a]	4:3:3:4:	4:4:4:4:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[5,6a]-3:C[5,6]-4:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6a]C[5,6a]C[6a])2(C[5,6]C[5,5,6]CC)	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]2)(C[5,5,6]C[5,5]C[5,6]H)(CH3)2	C[5,6a](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6a]C[5,6a]C[6a])2(C[5,6]C[5,5,6]CC){1|C<4>,1|O<2>,4|C<3>,6|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]2)(C[5,5,6]C[5,5]C[5,6]H)(CH3)2{2|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>,6|C<4>}	111.8220	0.000	1	111.8220	0.000	1	113.1955	3.773	2	113.1955	3.773	2	114.4088	9.648	59	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6a]	4:3:3:4:	4:4:4:4:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[5,6a]-3:C[5,6]-4:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6a]C[5,6a]C[6a])2(C[5,6]C[5,5,6]CC)	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]2)(C[5,5,6]C[5,5]C[5,6]H)(CH3)2	C[5,6a](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]O)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6a]C[5,6a]C[6a])2(C[5,6]C[5,5,6]CC){1|C<4>,1|O<2>,4|C<3>,6|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]2)(C[5,5,6]C[5,5]C[5,6]H)(CH3)2{2|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]O){1|H<1>,3|C<3>,7|C<4>}	114.5690	0.000	1	114.5690	0.000	1	113.1955	3.773	2	113.1955	3.773	2	114.4088	9.648	59	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6a]	4:3:4:1:	4:3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:H-1:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,6]C[5]C)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]H)(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)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[5,6]C[5]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[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[5,6a](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<2>,4|H<1>,5|C<3>}	117.9190	0.000	1	117.9190	0.000	1	117.9190	0.000	1	117.9190	0.000	1	114.4088	9.648	59	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6a]	4:3:4:1:	4:3:4:1:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]O)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(H)	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]C[6]HH)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]O)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(H){1|C<4>,4|C<3>,4|H<1>}	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]C[6]HH)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	115.6890	0.000	1	115.6890	0.000	1	115.6890	0.000	1	115.6890	0.000	1	114.4088	9.648	59	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6a]	4:3:4:2:	4:3:4:1:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:O-2:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(OS)	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]O)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]O)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(OS){1|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]O)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]O)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,5|H<1>}	117.7480	0.000	1	117.7480	0.000	1	117.7480	0.000	1	117.7480	0.000	1	114.4088	9.648	59	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6a]	4:3:4:3:	4:4:1:1:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-3:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]HH)(C[5]N[5]N)	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[5,5,6]C[5,5]C[5,6]H)(H)2	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]HH)(C[5]N[5]N){1|C<4>,2|C<3>,6|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,5|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	116.4200	0.000	1	116.4200	0.000	1	116.4200	0.000	1	116.4200	0.000	1	114.4088	9.648	59	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6a]	4:3:4:3:	4:4:2:1:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-3:	C[5,5,6]-4:C[5,5,6]-4:C-2:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]CH)(C[5]N[5]O)	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[5,5,6]C[5,5]C[5,6]H)(CN)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]CH)(C[5]N[5]O){1|C<4>,3|C<3>,6|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[5,5,6]C[5,5]C[5,6]H)(CN)(H){1|C<4>,1|N<3>,2|C<3>,2|O<1>,3|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|C<3>,1|O<1>,4|C<4>,4|H<1>}	119.4960	0.000	1	119.4960	0.000	1	119.4960	0.000	1	119.4960	0.000	1	114.4088	9.648	59	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6a]	4:3:4:3:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-3:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-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)	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[5,5,6]C[5,5]C[5,6]C)(CC[6a]O)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	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[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[5,5,6]C[5,5]C[5,6]C)(CC[6a]O)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	118.7800	0.000	1	118.7800	0.000	1	118.2850	0.490	2	118.2850	0.490	2	114.4088	9.648	59	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6a]	4:3:4:3:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-3:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-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)	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[5,5,6]C[5,6]S[5,5]C)(COO)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]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){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[5,5,6]C[5,6]S[5,5]C)(COO)(H){2|N<3>,2|O<1>,3|C<3>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|N<3>,1|O<1>,1|S<2>,2|C<4>,2|H<1>,3|C<3>}	117.7900	0.000	1	117.7900	0.000	1	118.2850	0.490	2	118.2850	0.490	2	114.4088	9.648	59	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6a]	4:3:4:3:	4:4:4:1:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-3:	C[5,5,6]-4:C[5,5,6]-4:C-4:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]CH)(C[5]N[5]O)	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[5,5,6]C[5,5]O[5,6]H)(CH3)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]CH)(C[5]N[5]O){1|N<2>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[5,5,6]C[5,5]O[5,6]H)(CH3)(H){1|C<2>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,2|C<3>,3|H<1>,4|C<4>}	114.6070	0.000	1	114.6070	0.000	1	114.6070	0.000	1	114.6070	0.000	1	114.4088	9.648	59	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6a]	4:3:4:4:	4:3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:C-4:	C[5,5,6]-4:C[5]-3:N[6]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]H)(CH3)	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C)(C[5]C[5]C)(N[6]C[6]C)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]H)(CH3){2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C)(C[5]C[5]C)(N[6]C[6]C)(H){1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	114.3390	0.398	3	114.3390	0.158	3	114.3390	0.158	3	114.3390	0.158	3	114.4088	9.648	59	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6a]	4:3:4:4:	4:3:3:3:	4:3:3:	C[5,6]-4:C[5,6a]-3:C[5,5]-4:C[6]-4:	C[5,5,6]-4:C[6a]-3:C[5]-3:C[6]-3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	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[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[5,6a](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	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[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[5,6a](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,4|C<3>,6|H<1>}	116.5740	0.000	1	116.5740	0.000	1	116.5740	0.000	1	116.5740	0.000	1	114.4088	9.648	59	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6a]	4:3:4:4:	4:4:1:1:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]HH)(C[5]O[5]HO)	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[5,5,6]C[5,5]C[5,6]H)(H)2	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]HH)(C[5]O[5]HO){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[5,5,6]C[5,5]C[5,6]H)(H)2{2|C<4>,2|H<1>,3|C<3>,3|O<2>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	112.3590	0.000	1	112.3590	0.000	1	112.3590	0.000	1	112.3590	0.000	1	114.4088	9.648	59	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6a]	4:3:4:4:	4:4:3:1:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5,5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6]C[6]HH)(N[5]C[5]C)(H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH){1|C<4>,5|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6]C[6]HH)(N[5]C[5]C)(H){1|N<3>,3|C<3>,6|H<1>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,6|H<1>}	113.3870	0.000	1	113.3870	0.000	1	113.3870	0.000	1	113.3870	0.000	1	114.4088	9.648	59	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6a]	4:3:4:4:	4:4:4:3:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:C-4:	C[5,5,6]-4:C[5,6]-4:C[5]-4:C-3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[6]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]C)(CCHH)	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C)(C[5,6]C[5,6]C[5]H)(C[5]O[5]HH)(COO)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[6]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]C)(CCHH){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C)(C[5,6]C[5,6]C[5]H)(C[5]O[5]HH)(COO){1|C<4>,1|H<1>,1|N<3>,1|N<4>,4|C<3>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	118.7030	0.000	2	118.7030	0.000	2	118.7030	0.000	2	118.7030	0.000	2	114.4088	9.648	59	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6a]	4:4:3:1:	4:3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6,6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6a]C[6,6a]H)(C[5,6a]C[5,6a]C[6a])(H)	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[5,6a](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C)	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]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[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[5,6a](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C){2|C<4>,3|H<1>,5|C<3>}	116.3730	0.499	2	116.3730	0.249	2	116.3730	0.249	2	116.3730	0.249	2	114.4088	9.648	59	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6a]	4:4:3:4:	4:3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6]-4:C[5,6a]-3:C-4:	C[5,5,6]-4:C[5,6a]-3:C[6,6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]H)(C[5,6]C[5,6a]C[6,6a]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[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[5,6a](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C)	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]H)(C[5,6]C[5,6a]C[6,6a]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|C<4>,1|H<1>,6|C<3>}	C[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[5,6a](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C){1|C<4>,4|H<1>,5|C<3>}	115.8345	0.491	2	115.8345	0.242	2	115.8345	0.242	2	115.8345	0.242	2	114.4088	9.648	59	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5a]	4:4:4:3:	4:4:1:1:	4:3:2:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:C[5a]-3:	C[5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[5,5,6]-4:N[5a]-3:N[5a]-2:	C[5,5,6](C[5,5,6]C[5,6]2H)(C[5,6]C[5,6,6]HH)2(C[5a]N[5a]2)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5a])(C[5,6,6]C[5,6]C[6,6]H)(H)2	C[5a](C[5,5,6]C[5,5,6]C[5,6]2)(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	C[5,5,6](C[5,5,6]C[5,6]2H)(C[5,6]C[5,6,6]HH)2(C[5a]N[5a]2){1|C<4>,2|C<3>,7|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5a])(C[5,6,6]C[5,6]C[6,6]H)(H)2{1|N<2>,1|N<3>,2|C<4>,7|H<1>}	C[5a](C[5,5,6]C[5,5,6]C[5,6]2)(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|C<3>,1|N<3>,4|C<4>,5|H<1>}	113.2615	0.952	2	113.2615	0.907	2	113.2615	0.907	2	113.2615	0.907	2	113.2615	0.907	2	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[5,6,6a]	3:4:4:3:	4:4:1:1:	4:3:3:	C[5,6,6a]-3:C[5,6]-4:C[5]-4:C[5]-3:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[5]O[5]O)	C[5](C[5,5,6]C[5,6,6a]C[5,6]C[5])(C[5]C[5]HH)(H)2	C[5,6,6a](C[5,5,6]C[5,6]C[5]2)(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[5,5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[5]O[5]O){2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5,6]C[5,6,6a]C[5,6]C[5])(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,6,6a](C[5,5,6]C[5,6]C[5]2)(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	113.1040	1.028	2	113.1040	1.057	2	113.1040	1.057	2	113.1040	1.057	2	113.1040	1.057	2	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[5,6a]	3:3:3:4:	4:4:1:1:	4:3:3:	C[5,5,6]-3:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5]C[5,6]HH)	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[5,6]C[5,5,6]C[6]2)(H)2	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5]C[5,6]HH){10|C<3>,1|H<1>}	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[5,6]C[5,5,6]C[6]2)(H)2{2|H<1>,9|C<3>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|Cl<1>,2|C<4>,2|H<1>,4|C<3>}	111.9290	0.000	1	111.9290	0.000	1	111.9290	0.000	1	111.9290	0.000	1	112.2062	6.034	145	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[5,6a]	3:3:4:4:	4:3:4:3:	4:3:3:	C[5,6a]-3:C[5,5,6]-3:C[5]-4:C[6]-4:	C[5,5,6]-4:C[5]-3:C-4:C-3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,6]N[5])(C[5]C[5]CC)(C[6]C[6]HH)	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]C[5,6]O)(CH3)(COO)	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,6]N[5])(C[5]C[5]CC)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]C[5,6]O)(CH3)(COO){1|N<2>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	119.8530	0.000	1	119.8530	0.000	1	119.8530	0.000	1	119.8530	0.000	1	112.2062	6.034	145	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[5,6a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:N[5,6]-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[5,6a]-3:C[6a]-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)	C[5](C[5,5,6]C[5,6a]C[5,6]N[5,6])(C[5]C[5]N[5]H)(H)2	C[5,6a](C[5,5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[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){1|N<3>,1|O<1>,1|S<4>,2|H<1>,4|C<3>}	C[5](C[5,5,6]C[5,6a]C[5,6]N[5,6])(C[5]C[5]N[5]H)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,5|C<3>}	C[5,6a](C[5,5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,3|C<3>,5|H<1>}	113.8860	0.000	1	113.8860	0.000	1	113.8860	0.000	1	113.8860	0.000	1	112.2062	6.034	145	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[5,6a]	3:4:3:4:	4:3:1:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:N[5,6]-3:C[5]-4:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-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)	C[5](C[5,5,6]C[5,6a]C[5,6]N[5,6])(C[5]N[5]O)(H)2	C[5,6a](C[5,5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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){1|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[5](C[5,5,6]C[5,6a]C[5,6]N[5,6])(C[5]N[5]O)(H)2{1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	114.0760	0.000	1	114.0760	0.000	1	114.0760	0.000	1	114.0760	0.000	1	112.2062	6.034	145	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[5,6a]	3:4:3:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5,6]HH)	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5,6]C[5,6]C[6]H)(H)2	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5,6]HH){1|S<4>,2|C<4>,3|C<3>,6|H<1>}	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5,6]C[5,6]C[6]H)(H)2{1|O<1>,2|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|S<4>,2|C<3>,3|C<4>,5|H<1>}	109.1860	0.000	1	109.1860	0.000	1	109.1860	0.000	1	111.1730	2.310	5	112.2062	6.034	145	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[5,6a]	3:4:3:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,6]-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[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5]N[5]HH)(H)2	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5,6]C[6]N[5])(C[5]C[5]HH){1|C<4>,1|S<4>,3|C<3>,6|H<1>}	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|S<4>,3|C<3>}	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,5|H<1>}	110.7645	0.890	2	111.2540	1.115	3	111.6698	1.435	4	111.1730	2.310	5	112.2062	6.034	145	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[5,6a]	3:4:3:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,6]-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[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5]N[5]HH)(H)2	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5,6]C[6]N[5])(C[5]C[5]HH){2|C<4>,4|C<3>,4|H<1>}	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	112.2330	0.000	1	111.2540	1.115	3	111.6698	1.435	4	111.1730	2.310	5	112.2062	6.034	145	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[5,6a]	3:4:3:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,6]-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[5,6a]-3:C[6a]-3:	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)	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5]C[5]CC)(H)2	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]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){1|C<4>,4|C<3>,5|H<1>}	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5]C[5]CC)(H)2{1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	112.9170	0.000	1	112.9170	0.000	1	111.6698	1.435	4	111.1730	2.310	5	112.2062	6.034	145	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[5,6a]	3:4:3:4:	4:4:2:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,6,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,3x6]HH)(C[5,6]C[3x6]N[5])(C[5]C[5,6,6]HO)	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5,5,6]C[5,6a]C[5,6]2)(OC)(H)	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,3x6]HH)(C[5,6]C[3x6]N[5])(C[5]C[5,6,6]HO){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5,5,6]C[5,6a]C[5,6]2)(OC)(H){1|N<2>,1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	120.0920	0.000	1	120.0920	0.000	1	120.0920	0.000	1	120.0920	0.000	1	112.2062	6.034	145	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[5,6a]	3:4:4:2:	4:4:1:1:	4:3:3:	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[5,6a]-3:C[6a]-3:	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	C[5,6a](C[5,5,6]C[5,5,6]C[5]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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>}	C[5,6a](C[5,5,6]C[5,5,6]C[5]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	116.5300	0.000	1	116.5300	0.000	1	116.5300	0.000	1	116.5300	0.000	1	112.2062	6.034	145	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[5,6a]	3:4:4:4:	4:3:1:1:	4:3:3:	C[5,6a]-3:C[5,6]-4: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[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5]O[5]O)(H)2	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]N[6a]C[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|I<1>,1|N<2>,1|O<1>,6|H<1>}	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5]O[5]O)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]N[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	114.8540	0.000	1	114.8540	0.000	1	115.2175	0.264	2	115.2175	0.264	2	112.2062	6.034	145	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[5,6a]	3:4:4:4:	4:3:1:1:	4:3:3:	C[5,6a]-3:C[5,6]-4: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[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)2(C[5]C[5]HH)	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5]N[5]O)(H)2	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)2(C[5]C[5]HH){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5]N[5]O)(H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,7|H<1>}	115.5810	0.000	1	115.5810	0.000	1	115.2175	0.264	2	115.2175	0.264	2	112.2062	6.034	145	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[3,6]-4:C[5,5,6]-4:C[5]-4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[3,6]C[3,6]O[3]H)(C[5,5,6]C[6]N[5]2)(C[5]C[5]HH)	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[3,6])(C[5]N[5]HH)(H)2	C[5,6a](C[5,5,6]C[5,5,6]C[3,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[3,6]C[3,6]O[3]H)(C[5,5,6]C[6]N[5]2)(C[5]C[5]HH){1|C<4>,4|C<3>,6|H<1>}	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[3,6])(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,5,6]C[5,5,6]C[3,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|O<2>,3|C<4>,4|H<1>}	113.0370	0.000	1	113.0370	0.000	1	113.0370	0.000	1	114.4989	19.961	10	112.2062	6.034	145	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,5,6]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[6]N[5]2)(C[5]C[5]HH)(C[6]C[6]CH)	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]N[5]HH)(H)2	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[6]N[5]2)(C[5]C[5]HH)(C[6]C[6]CH){2|C<4>,3|C<3>,7|H<1>}	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	112.2290	0.000	1	110.5965	5.330	2	111.3690	6.814	4	114.4989	19.961	10	112.2062	6.034	145	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,5,6]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[6]N[5]2)(C[5]C[5]HH)(C[6]C[6]CH)	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]N[5]HH)(H)2	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[6]N[5]2)(C[5]C[5]HH)(C[6]C[6]CH){2|C<4>,4|C<3>,6|H<1>}	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,4|C<4>,4|H<1>}	108.9640	0.000	1	110.5965	5.330	2	111.3690	6.814	4	114.4989	19.961	10	112.2062	6.034	145	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,5,6]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[6]N[5]2)(C[5]C[5]HH)(C[6]C[6]HH)	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]N[5]CH)(H)2	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[6]N[5]2)(C[5]C[5]HH)(C[6]C[6]HH){2|C<4>,4|C<3>,6|H<1>}	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]N[5]CH)(H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,4|C<4>,6|H<1>}	114.6640	0.000	1	114.6640	0.000	1	111.3690	6.814	4	114.4989	19.961	10	112.2062	6.034	145	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,5,6]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[6]N[5]2)(C[5]C[5]HH)(C[6]C[6]HH)	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]N[5]HH)(H)2	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[6]N[5]2)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|O<2>,4|C<3>,6|H<1>}	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]N[5]HH)(H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,6|H<1>}	109.6190	0.000	1	109.6190	0.000	1	111.3690	6.814	4	114.4989	19.961	10	112.2062	6.034	145	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,6,6]-4:C[5,6]-4:C[5]-4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C[6a,6a]-3:C[5,6a]-3:	C[5,5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]H)(C[5]C[5,6]HH)	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])	C[5,5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]H)(C[5]C[5,6]HH){2|C<4>,3|C<3>,7|H<1>}	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[6]H)(H)2{1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5]){3|C<3>,4|C<4>,6|H<1>}	123.7410	0.000	1	123.7410	0.000	1	123.7410	0.000	1	114.4989	19.961	10	112.2062	6.034	145	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,6]-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[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[5,6]C[6]N[5]O)(C[5]C[5]HH)	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5]N[5]HH)(H)2	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]C)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[5,6]C[6]N[5]O)(C[5]C[5]HH){2|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5]N[5]HH)(H)2{1|H<1>,2|C<3>,2|O<2>,3|C<4>}	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]C){1|C<3>,1|N<3>,2|O<2>,3|C<4>,4|H<1>}	117.4490	1.820	2	117.4490	3.313	2	115.6838	8.952	4	114.4989	19.961	10	112.2062	6.034	145	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,6]-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[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)2(C[5]C[5]HH)	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5]N[5]CH)(H)2	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)2(C[5]C[5]HH){1|C<4>,5|C<3>,5|H<1>}	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5]N[5]CH)(H)2{1|N<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,6|H<1>}	116.2720	0.000	1	116.2720	0.000	1	115.6838	8.952	4	114.4989	19.961	10	112.2062	6.034	145	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,6]-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[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)2(C[5]C[5]HH)	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5]N[5]HH)(H)2	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)2(C[5]C[5]HH){1|S<4>,2|C<4>,3|C<3>,5|H<1>}	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5]N[5]HH)(H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|S<4>,2|C<3>,2|C<4>,6|H<1>}	111.5650	0.000	1	111.5650	0.000	1	115.6838	8.952	4	114.4989	19.961	10	112.2062	6.034	145	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[5,6a]	4:3:3:4:	4:3:1:1:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,5,6]-4:C[5]-3:Cl-1:Cl-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]Cl2)	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]O)(Cl)2	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]Cl2){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]O)(Cl)2{1|H<1>,1|N<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|Cl<1>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	115.1690	0.000	1	115.1690	0.000	1	115.1690	0.000	1	115.1690	0.000	1	112.2062	6.034	145	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[5,6a]	4:3:3:4:	4:4:1:1:	4:3:3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6a]-3:C[5]-4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6,6]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5](C[5,5,6]C[5,6,6]2C[5,6a])(C[5]N[5,6]HH)(H)2	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6,6]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){3|C<3>,4|C<4>,4|H<1>}	C[5](C[5,5,6]C[5,6,6]2C[5,6a])(C[5]N[5,6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	109.4470	0.000	1	109.4470	0.000	1	109.4470	0.000	1	109.0811	0.591	23	112.2062	6.034	145	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[5,6a]	4:3:3:4:	4:4:1:1:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,5,6]-4:C[5,5]-4:H-1:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]N[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5,5]HH)	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5,5]N[5,5,6]C[5]H)(H)2	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6]N[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5,5]HH){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5,5]N[5,5,6]C[5]H)(H)2{1|N<3>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	108.8110	0.000	1	108.4580	0.249	2	108.4580	0.249	2	109.0811	0.591	23	112.2062	6.034	145	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[5,6a]	4:3:3:4:	4:4:1:1:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,5,6]-4:C[5,5]-4:H-1:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]N[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5,5]HH)	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5,5]N[5,5,6]C[5]H)(H)2	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6]N[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5,5]HH){2|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5,5]N[5,5,6]C[5]H)(H)2{1|N<2>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	108.1050	0.000	1	108.4580	0.249	2	108.4580	0.249	2	109.0811	0.591	23	112.2062	6.034	145	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[5,6a]	4:3:3:4:	4:4:1:1:	4:3:3:	C[5,6,6]-4:C[5,6a]-3: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[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]C[3,6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6]C[3,6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	108.4940	0.000	1	108.4940	0.000	1	109.1251	0.621	20	109.0811	0.591	23	112.2062	6.034	145	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[5,6a]	4:3:3:4:	4:4:1:1:	4:3:3:	C[5,6,6]-4:C[5,6a]-3: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[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){3|C<3>,4|C<4>,4|H<1>}	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H){1|N<3>,2|C<3>,3|C<4>,5|H<1>}	108.9860	0.000	1	108.9860	0.000	1	109.1251	0.621	20	109.0811	0.591	23	112.2062	6.034	145	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[5,6a]	4:3:3:4:	4:4:1:1:	4:3:3:	C[5,6,6]-4:C[5,6a]-3: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[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){3|C<3>,4|C<4>,4|H<1>}	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	108.5393	0.950	3	108.5393	0.903	3	109.1251	0.621	20	109.0811	0.591	23	112.2062	6.034	145	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[5,6a]	4:3:3:4:	4:4:1:1:	4:3:3:	C[5,6,6]-4:C[5,6a]-3: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[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){3|C<3>,3|H<1>,4|C<4>}	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2{1|H<1>,1|N<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	109.6880	0.000	1	109.0683	0.278	4	109.1251	0.621	20	109.0811	0.591	23	112.2062	6.034	145	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[5,6a]	4:3:3:4:	4:4:1:1:	4:3:3:	C[5,6,6]-4:C[5,6a]-3: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[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){3|C<3>,4|C<4>,4|H<1>}	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H){1|N<3>,2|C<3>,3|C<4>,5|H<1>}	108.8617	0.401	3	109.0683	0.278	4	109.1251	0.621	20	109.0811	0.591	23	112.2062	6.034	145	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[5,6a]	4:3:3:4:	4:4:1:1:	4:3:3:	C[5,6,6]-4:C[5,6a]-3: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[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	109.3700	0.000	1	109.3755	0.701	11	109.1251	0.621	20	109.0811	0.591	23	112.2062	6.034	145	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[5,6a]	4:3:3:4:	4:4:1:1:	4:3:3:	C[5,6,6]-4:C[5,6a]-3: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[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){2|C<4>,3|C<3>,6|H<1>}	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	108.1155	0.844	2	109.3755	0.701	11	109.1251	0.621	20	109.0811	0.591	23	112.2062	6.034	145	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[5,6a]	4:3:3:4:	4:4:1:1:	4:3:3:	C[5,6,6]-4:C[5,6a]-3: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[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){2|C<4>,3|C<3>,6|H<1>}	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	109.7145	0.363	4	109.3755	0.701	11	109.1251	0.621	20	109.0811	0.591	23	112.2062	6.034	145	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[5,6a]	4:3:3:4:	4:4:1:1:	4:3:3:	C[5,6,6]-4:C[5,6a]-3: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[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){3|C<3>,4|C<4>,4|H<1>}	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|O<2>,4|H<1>}	109.8490	0.875	3	109.3755	0.701	11	109.1251	0.621	20	109.0811	0.591	23	112.2062	6.034	145	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[5,6a]	4:3:3:4:	4:4:1:1:	4:3:3:	C[5,6,6]-4:C[5,6a]-3: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[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){3|C<4>,4|C<3>,4|H<1>}	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	109.1250	0.000	1	109.3755	0.701	11	109.1251	0.621	20	109.0811	0.591	23	112.2062	6.034	145	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[5,6a]	4:3:3:4:	4:4:2:1:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,5,6]-4:C[5]-4:S-2:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HS)	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(SC)(H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HS){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(SC)(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|S<2>,2|C<3>,2|C<4>,5|H<1>}	111.8690	0.000	1	111.8690	0.000	1	111.8690	0.000	1	111.8690	0.000	1	112.2062	6.034	145	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[5,6a]	4:3:4:3:	4:4:1:1:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[5]-4:C[6]-3:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[6]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]H)	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]O[5]HH)(H)2	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[6]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]H){1|C<4>,1|N<2>,3|C<3>,5|H<1>}	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]O[5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	112.4935	0.456	2	112.4935	0.208	2	112.4935	0.208	2	112.4935	0.208	2	112.2062	6.034	145	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[5,6a]	4:3:4:4:	4:3:1:1:	4:3:3:	C[5,5,6]-4:C[5,6a]-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[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[5]N[5,5]O)(H)2	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH){1|H<1>,1|O<1>,1|O<2>,3|C<3>,5|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[5]N[5,5]O)(H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,6|H<1>}	113.3590	0.000	1	115.5680	9.759	2	115.5680	9.759	2	115.5680	9.759	2	112.2062	6.034	145	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[5,6a]	4:3:4:4:	4:3:1:1:	4:3:3:	C[5,5,6]-4:C[5,6a]-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[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[5]N[5,5]O)(H)2	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[5]N[5,5]O)(H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,7|H<1>}	117.7770	0.000	1	115.5680	9.759	2	115.5680	9.759	2	115.5680	9.759	2	112.2062	6.034	145	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[5,6a]	4:3:4:4:	4:3:4:1:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[5]-4:C[6]-4:	C[5,5,6]-4:C[5]-3:C-4:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[6]C[6]HH)	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]C[5,6]O)(CH3)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]C[5,6]O)(CH3)(H){2|C<3>,2|C<4>,2|N<3>,3|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,7|H<1>}	112.1340	0.602	3	112.1340	0.362	3	113.3483	6.139	4	113.3483	6.139	4	112.2062	6.034	145	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[5,6a]	4:3:4:4:	4:3:4:1:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[5]-4:C[6]-4:	C[5,5,6]-4:C[5]-3:C-4:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[6]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[6]C[6]HH)	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]O[5]O)(CH3)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[6]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]O[5]O)(CH3)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	116.9910	0.000	1	116.9910	0.000	1	113.3483	6.139	4	113.3483	6.139	4	112.2062	6.034	145	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[5,6a]	4:3:4:4:	4:4:1:1:	4:3:3:	C[3x5,6]-4:C[5,6a]-3:C[5]-4:C[6]-4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[3x5,6]C[5,6]N[5,5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HO)	C[5](C[5,5,6]C[3x5,6]C[5,6a]C[6])(C[5]N[5,5]HH)(H)2	C[5,6a](C[5,5,6]C[3x5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[3x5,6]C[5,6]N[5,5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HO){1|C<4>,5|C<3>,5|H<1>}	C[5](C[5,5,6]C[3x5,6]C[5,6a]C[6])(C[5]N[5,5]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,5,6]C[3x5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,5|H<1>}	112.9320	0.000	1	112.9320	0.000	1	112.9320	0.000	1	112.8315	3.222	24	112.2062	6.034	145	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[5,6a]	4:3:4:4:	4:4:1:1:	4:3:3:	C[5,5,6,6]-4:C[5,6a]-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[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6,6]C[5,6,6]N[5,6]O[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)	C[5](C[5,5,6]C[5,5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2	C[5,6a](C[5,5,6]C[5,5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6,6]C[5,6,6]N[5,6]O[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH){1|O<1>,3|C<3>,3|H<1>,5|C<4>}	C[5](C[5,5,6]C[5,5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[5,6a](C[5,5,6]C[5,5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	113.0090	0.000	1	113.0090	0.000	1	113.0090	0.000	1	112.8315	3.222	24	112.2062	6.034	145	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[5,6a]	4:3:4:4:	4:4:1:1:	4:3:3:	C[5,5,6,6]-4:C[5,6a]-3:C[5]-4:C[6]-4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6,6]C[6,6]N[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HO)	C[5](C[5,5,6]C[5,5,6,6]C[5,6a]C[6])(C[5]N[5,6]HH)(H)2	C[5,6a](C[5,5,6]C[5,5,6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6,6]C[6,6]N[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HO){2|C<4>,3|C<3>,7|H<1>}	C[5](C[5,5,6]C[5,5,6,6]C[5,6a]C[6])(C[5]N[5,6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,3|C<4>}	C[5,6a](C[5,5,6]C[5,5,6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	112.3910	0.000	1	112.3910	0.000	1	112.3910	0.000	1	112.8315	3.222	24	112.2062	6.034	145	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[5,6a]	4:3:4:4:	4:4:1:1:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,6,6]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5]H)(C[5]C[5]HH)	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[5]N[5,5]HH)(H)2	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[5,6,6]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5]H)(C[5]C[5]HH){1|O<2>,3|C<3>,3|H<1>,5|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[5]N[5,5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,4|C<4>,6|H<1>}	114.4840	0.048	2	114.4840	0.002	2	114.4840	0.002	2	112.8315	3.222	24	112.2062	6.034	145	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[5,6a]	4:3:4:4:	4:4:1:1:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:C[5]-4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[6,6]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]ClH)(C[5]C[5]HH)	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]O[5]HH)(H)2	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[6,6]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]ClH)(C[5]C[5]HH){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]O[5]HH)(H)2{1|Cl<1>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	111.2340	0.000	1	111.2340	0.000	1	111.2340	0.000	1	112.8315	3.222	24	112.2062	6.034	145	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[5,6a]	4:3:4:4:	4:4:1:1:	4:3:3:	C[5,6,6]-4:C[5,6a]-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[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[5]C[5]HH)	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[5]C[5]HH){3|H<1>,4|C<3>,5|C<4>}	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,4|C<4>,6|H<1>}	107.9170	0.000	1	107.9170	0.000	1	112.7457	3.866	18	112.8315	3.222	24	112.2062	6.034	145	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[5,6a]	4:3:4:4:	4:4:1:1:	4:3:3:	C[5,6,6]-4:C[5,6a]-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[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH){2|C<3>,4|C<4>,6|H<1>}	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,3|C<4>,6|H<1>}	111.9960	0.000	1	111.9960	0.000	1	112.7457	3.866	18	112.8315	3.222	24	112.2062	6.034	145	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[5,6a]	4:3:4:4:	4:4:1:1:	4:3:3:	C[5,6,6]-4:C[5,6a]-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[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,7|H<1>}	114.8490	0.000	1	113.1555	2.786	15	112.7457	3.866	18	112.8315	3.222	24	112.2062	6.034	145	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[5,6a]	4:3:4:4:	4:4:1:1:	4:3:3:	C[5,6,6]-4:C[5,6a]-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[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH){1|O<2>,3|C<3>,3|H<1>,5|C<4>}	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,4|C<4>,6|H<1>}	113.8408	0.348	5	113.1555	2.786	15	112.7457	3.866	18	112.8315	3.222	24	112.2062	6.034	145	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[5,6a]	4:3:4:4:	4:4:1:1:	4:3:3:	C[5,6,6]-4:C[5,6a]-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[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH){1|O<2>,3|C<4>,3|H<1>,5|C<3>}	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,6|H<1>}	113.8890	0.000	1	113.1555	2.786	15	112.7457	3.866	18	112.8315	3.222	24	112.2062	6.034	145	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[5,6a]	4:3:4:4:	4:4:1:1:	4:3:3:	C[5,6,6]-4:C[5,6a]-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[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH){1|O<2>,3|H<1>,4|C<3>,4|C<4>}	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,4|C<4>,6|H<1>}	114.7860	0.272	2	113.1555	2.786	15	112.7457	3.866	18	112.8315	3.222	24	112.2062	6.034	145	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[5,6a]	4:3:4:4:	4:4:1:1:	4:3:3:	C[5,6,6]-4:C[5,6a]-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[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH){1|O<2>,3|H<1>,4|C<3>,4|C<4>}	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,5|C<4>,5|H<1>}	113.6415	0.535	2	113.1555	2.786	15	112.7457	3.866	18	112.8315	3.222	24	112.2062	6.034	145	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[5,6a]	4:3:4:4:	4:4:1:1:	4:3:3:	C[5,6,6]-4:C[5,6a]-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[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH){2|C<3>,4|C<4>,6|H<1>}	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,7|H<1>}	110.6337	0.627	4	113.1555	2.786	15	112.7457	3.866	18	112.8315	3.222	24	112.2062	6.034	145	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[5,6a]	4:3:4:4:	4:4:1:1:	4:3:3:	C[5,6,6]-4:C[5,6a]-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[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5]HH)(H)2	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH){1|C<4>,5|C<3>,5|H<1>}	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5]HH)(H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,6|H<1>}	112.1780	0.000	1	112.1780	0.000	1	112.7457	3.866	18	112.8315	3.222	24	112.2062	6.034	145	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[5,6a]	4:4:3:4:	4:4:1:1:	4:3:3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6a]-3:C[5]-4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,6,6]C[6,6]N[5,6]O)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5](C[5,5,6]C[5,6,6]2C[5,6a])(C[5]N[5,6]HH)(H)2	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,6,6]C[6,6]N[5,6]O)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){2|C<3>,4|H<1>,6|C<4>}	C[5](C[5,5,6]C[5,6,6]2C[5,6a])(C[5]N[5,6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,3|C<4>}	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|O<2>,4|C<4>,4|H<1>}	108.9180	0.000	1	108.9180	0.000	1	112.1365	1.114	65	112.1365	1.114	65	112.2062	6.034	145	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[5,6a]	4:4:3:4:	4:4:1:1:	4:3:3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6a]-3:C[5]-4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5](C[5,5,6]C[5,6,6]2C[5,6a])(C[5]N[5,6]HH)(H)2	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){2|C<3>,4|C<4>,7|H<1>}	C[5](C[5,5,6]C[5,6,6]2C[5,6a])(C[5]N[5,6]HH)(H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<4>,4|C<4>,6|H<1>}	113.5700	0.000	1	112.1868	0.964	64	112.1365	1.114	65	112.1365	1.114	65	112.2062	6.034	145	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[5,6a]	4:4:3:4:	4:4:1:1:	4:3:3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6a]-3:C[5]-4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5](C[5,5,6]C[5,6,6]2C[5,6a])(C[5]N[5,6]HH)(H)2	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){2|C<3>,4|H<1>,6|C<4>}	C[5](C[5,5,6]C[5,6,6]2C[5,6a])(C[5]N[5,6]HH)(H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,4|C<4>,6|H<1>}	109.9440	0.000	1	112.1868	0.964	64	112.1365	1.114	65	112.1365	1.114	65	112.2062	6.034	145	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[5,6a]	4:4:3:4:	4:4:1:1:	4:3:3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6a]-3:C[5]-4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5](C[5,5,6]C[5,6,6]2C[5,6a])(C[5]N[5,6]HH)(H)2	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){3|C<3>,3|C<4>,6|H<1>}	C[5](C[5,5,6]C[5,6,6]2C[5,6a])(C[5]N[5,6]HH)(H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	112.7194	1.193	10	112.1868	0.964	64	112.1365	1.114	65	112.1365	1.114	65	112.2062	6.034	145	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[5,6a]	4:4:3:4:	4:4:1:1:	4:3:3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6a]-3:C[5]-4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5](C[5,5,6]C[5,6,6]2C[5,6a])(C[5]N[5,6]HH)(H)2	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){3|C<3>,3|C<4>,7|H<1>}	C[5](C[5,5,6]C[5,6,6]2C[5,6a])(C[5]N[5,6]HH)(H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|N<4>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	112.2052	0.875	39	112.1868	0.964	64	112.1365	1.114	65	112.1365	1.114	65	112.2062	6.034	145	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[5,6a]	4:4:3:4:	4:4:1:1:	4:3:3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6a]-3:C[5]-4:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5](C[5,5,6]C[5,6,6]2C[5,6a])(C[5]N[5,6]HH)(H)2	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){3|C<3>,3|C<4>,7|H<1>}	C[5](C[5,5,6]C[5,6,6]2C[5,6a])(C[5]N[5,6]HH)(H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|N<4>,2|C<3>,3|C<4>,6|H<1>}	111.7882	0.764	13	112.1868	0.964	64	112.1365	1.114	65	112.1365	1.114	65	112.2062	6.034	145	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5,6]	C[5]	C[5a,6]	3:3:4:4:	4:4:1:1:	4:3:3:	C[5a,6]-3:N[5,6]-3: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[5a,6]-3:N[5a]-3:	C[5,5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5](C[5,5,6]C[5a,6]C[5,5]N[5,6])(C[5]C[5]HH)(H)2	C[5a,6](C[5,5,6]C[5,5]N[5,6]C[5])(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[5,5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5,5]C[5]2H)(C[5]C[5]HH){1|O<1>,2|C<3>,2|C<4>,8|H<1>}	C[5](C[5,5,6]C[5a,6]C[5,5]N[5,6])(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5a,6](C[5,5,6]C[5,5]N[5,6]C[5])(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){3|C<3>,4|C<4>,5|H<1>}	114.4970	0.000	1	114.4970	0.000	1	114.4970	0.000	1	114.4970	0.000	1	114.4970	0.000	1	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[3x5]	C[5,6a]	4:3:3:3:	3:4:4:4:	4:3:3:	C[3x5]-4:C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[3x5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[3x5]C[5,6a]C[3x5]C[5])(C[5,6a]C[5,6a]C[6a])2(C[5]C[5]H)	C[3x5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5]N[5]O[5])(C[5,5]C[5,6a]2C[5])(C[5]C[5]HH)	C[5,6a](C[5,5]C[5,6a]C[3x5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,5](C[3x5]C[5,6a]C[3x5]C[5])(C[5,6a]C[5,6a]C[6a])2(C[5]C[5]H){1|C<4>,1|N<3>,1|O<2>,4|H<1>,7|C<3>}	C[3x5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5]N[5]O[5])(C[5,5]C[5,6a]2C[5])(C[5]C[5]HH){1|C<4>,4|H<1>,7|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|Br<1>,2|C<4>,2|H<1>,5|C<3>}	112.7535	3.128	2	112.7535	9.781	2	112.7535	9.781	2	112.7535	9.781	2	112.7535	9.781	2	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[3x5]	C[5a]	4:4:3:1:	4:4:2:1:	4:3:3:	C[3x5]-4:C[3,5,5]-4:C[5a]-3:H-1:	C[5,5]-4:C[5,5]-4:O[5,5]-2:H-1:	C[5,5]-4:C[5a,6a]-3:C[5a]-3:	C[5,5](C[3x5]C[5,5]O[5,5]H)(C[3,5,5]C[3,5,5]2H)(C[5a]C[5a,6a]C[5a])(H)	C[3x5](C[5,5]C[3,5,5]C[5a]H)(C[5,5]C[3,5,5]HH)(O[5,5]C[3,5,5])(H)	C[5a](C[5,5]C[3,5,5]C[3x5]H)(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5,5](C[3x5]C[5,5]O[5,5]H)(C[3,5,5]C[3,5,5]2H)(C[5a]C[5a,6a]C[5a])(H){1|N<3>,2|C<3>,5|H<1>}	C[3x5](C[5,5]C[3,5,5]C[5a]H)(C[5,5]C[3,5,5]HH)(O[5,5]C[3,5,5])(H){2|C<3>,3|H<1>}	C[5a](C[5,5]C[3,5,5]C[3x5]H)(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|N<3>,1|O<2>,2|C<3>,2|H<1>,4|C<4>}	115.2610	0.000	1	115.2610	0.000	1	115.2610	0.000	1	115.2610	0.000	1	115.2610	0.000	1	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5,6]	C[5,6a]	3:3:4:3:	4:4:4:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,5,6]-4:N[5]-3:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5,6]C[5,5,6]2H)(N[5]C[6a]N[5])	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5]C[5,6a]2N[5])(H)	C[5,6a](C[5,5]C[5,5,6]C[5,6a]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5,6]C[5,5,6]2H)(N[5]C[6a]N[5]){1|C<2>,3|C<4>,4|H<1>,6|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,5]C[5,6a]2N[5])(H){1|C<2>,1|C<4>,5|C<3>,5|H<1>}	C[5,6a](C[5,5]C[5,5,6]C[5,6a]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	111.2905	3.804	2	111.2905	14.467	2	111.2905	14.467	2	111.2905	14.467	2	111.2905	14.467	2	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5,6]	C[5a]	4:3:4:2:	4:4:4:1:	4:3:2:	C[5,5,6]-4:C[5a]-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[5a]-3:O[5a]-2:	C[5,5](C[5,5,6]C[5,6]2H)(C[5a]C[5a]O[5a])(C[5]C[5,6]HH)(O[5]C[5])	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[5a](C[5,5]C[5,5,6]C[5]O[5])(C[5a]C[5a]H)(O[5a]C[5a])	C[5,5](C[5,5,6]C[5,6]2H)(C[5a]C[5a]O[5a])(C[5]C[5,6]HH)(O[5]C[5]){1|O<2>,2|C<4>,3|C<3>,5|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[5a](C[5,5]C[5,5,6]C[5]O[5])(C[5a]C[5a]H)(O[5a]C[5a]){4|C<4>,5|H<1>}	113.9120	0.000	1	113.9120	0.000	1	113.9120	0.000	1	113.9120	0.000	1	113.9120	0.000	1	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:3:3:4:	4:4:3:1:	4:3:3:	N[5,5]-3:C[5,6a]-3:C[5,6a]-3:C[5,5]-4:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](N[5,5]C[5,5,6]N[5,5])(C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5,5]C[5]H)	C[5,5](C[5,5]C[5,6a]2N[5,5])(C[5,5]N[5,5]C[5]H)(C[5]N[5]O)(H)	C[5,6a](C[5,5]C[5,6a]C[5,5]N[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,5](N[5,5]C[5,5,6]N[5,5])(C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5,5]C[5]H){1|N<3>,1|O<1>,2|C<4>,4|H<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]2N[5,5])(C[5,5]N[5,5]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]N[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	114.0125	0.793	2	114.0125	0.628	2	114.0125	0.628	2	114.0125	0.628	2	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:3:3:4:	4:4:3:3:	4:3:2:	C[5,6a]-3:C[5,6a]-3:N[5,5]-3:C[5,5]-4:	C[5,5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	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[5,5]C[5]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	C[5,6a](C[5,5]C[5,6a]C[5,5]N[5,5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	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[5,5]C[5]3){1|N<2>,2|C<4>,2|O<1>,5|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[5,6a](C[5,5]C[5,6a]C[5,5]N[5,5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){3|C<4>,6|C<3>}	113.1660	0.000	1	113.1660	0.000	1	113.1660	0.000	1	113.1660	0.000	1	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:3:3:4:	4:4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:N[5,5]-3:C[5,5]-4:	C[5,5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]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	C[5,6a](C[5,5]C[5,6a]C[5,5]N[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]3){1|N<2>,2|C<4>,2|O<1>,5|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[5,6a](C[5,5]C[5,6a]C[5,5]N[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,2|N<2>,3|C<3>,3|C<4>}	116.6190	0.000	1	116.6190	0.000	1	116.6190	0.000	1	116.6190	0.000	1	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:3:3:4:	4:4:4:3:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[5]-3:C[5,5]-4:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5,5]C[5]3)	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5,5]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5,5]C[5]3){1|C<4>,1|O<1>,1|S<2>,6|C<3>,7|H<1>}	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O){1|H<1>,1|O<1>,2|C<4>,7|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5,5]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>,4|C<4>}	114.4270	0.000	1	114.4270	0.000	1	114.4270	0.000	1	114.4270	0.000	1	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:3:4:2:	3:3:4:2:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,5]-4:S[5]-2:	C[5,6a]-3:C[5,6a]-3:C[5,5]-4:S[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5,6a]2S[5])(S[5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5,6a]2S[5])(S[5]C[5])	C[5,6a](C[5,5]C[5,6a]C[5,5]S[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5,6a]2S[5])(S[5]C[5]){4|H<1>,8|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5,6a]2S[5])(S[5]C[5]){4|H<1>,8|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]S[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|H<1>,5|C<3>}	114.4733	0.992	4	114.4733	0.984	4	114.4733	0.984	4	114.4733	0.984	4	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:3:4:3:	4:3:3:4:	3:4:3:	C[5,6a]-3:C[5]-3:C[5,5]-4:N[5]-3:	C[5,5]-4:C[5]-3:C[5]-3:C[5]-4:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[5,5]C[5]3)(N[5]C[5]C)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]O)2(C[5]C[5]2H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[5,5]C[5]3)(N[5]C[5]C){1|C<4>,2|O<1>,4|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]O)2(C[5]C[5]2H){1|Fe<10>,1|O<1>,2|H<1>,3|C<4>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,3|C<4>,5|C<3>}	118.0080	0.000	1	118.0080	0.000	1	118.0080	0.000	1	118.0080	0.000	1	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:3:4:3:	4:4:3:2:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[5,5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C[5]-3:N[5]-2:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]2N[5])(C[5]C[5,6a]O)	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[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5,5]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]2N[5])(C[5]C[5,6a]O){1|C<4>,1|O<1>,1|O<2>,1|S<2>,5|C<3>,5|H<1>}	C[5,5](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[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5,5]C[5])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<1>,3|C<4>,4|C<3>}	113.6770	0.000	1	113.6770	0.000	1	113.6770	0.000	1	113.6770	0.000	1	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:3:4:3:	4:4:3:2:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5,5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]2S[5])(C[5]N[5]O)	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(S[5]C[5,5])	C[5,6a](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]2S[5])(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,4|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]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[5,6a](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,3|C<4>,3|H<1>}	115.7750	0.000	2	115.7750	0.000	2	115.7750	0.000	2	115.7750	0.000	2	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:3:4:3:	4:4:3:3:	3:4:3:	C[5,6a]-3:C[5]-3:C[5,5]-4:N[5]-3:	C[5,5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[5,5]C[5]3)(N[5]C[5]C)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[5,5]C[5]3)(N[5]C[5]C){2|O<1>,4|H<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2{1|C<4>,1|O<1>,2|H<1>,7|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,3|C<4>,5|C<3>}	114.4430	0.000	1	114.4430	0.000	1	114.4430	0.000	1	114.4430	0.000	1	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:3:4:3:	4:4:3:3:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5,5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]3)(C[5]N[5]O)	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5]C[5,6a]O)2	C[5,6a](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]3)(C[5]N[5]O){2|C<4>,2|O<1>,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[5,6a]O)2{1|H<1>,1|N<3>,1|O<1>,2|C<4>,6|C<3>}	C[5,6a](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	116.0550	0.000	1	116.0550	0.000	1	116.0550	0.000	1	116.0550	0.000	1	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:3:4:3:	4:4:4:3:	3:4:3:	C[5,6a]-3:C[5]-3:C[5,5]-4:N[5]-3:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[5,5]C[5]3)(N[5]C[5]C)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[5,5]C[5]3)(N[5]C[5]C){1|O<1>,6|C<3>,6|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O){1|C<4>,1|O<1>,2|H<1>,7|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>,4|C<4>}	117.3000	0.294	2	117.3000	0.087	2	117.2067	0.216	4	117.2067	0.216	4	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:3:4:3:	4:4:4:3:	3:4:3:	C[5,6a]-3:C[5]-3:C[5,5]-4:N[5]-3:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[5,5]C[5]3)(N[5]C[5]C)	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[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[5,5]C[5]3)(N[5]C[5]C){1|C<4>,1|O<1>,5|C<3>,6|H<1>}	C[5,5](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[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>,4|C<4>}	117.1135	0.726	2	117.1135	0.527	2	117.2067	0.216	4	117.2067	0.216	4	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:3:4:3:	4:4:4:3:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5,5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]3)(C[5]N[5]O)	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]3)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,1|S<2>,4|C<3>,8|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[5,6a](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	113.3440	0.000	1	116.9377	7.064	4	117.2880	5.911	5	117.4983	4.994	6	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:3:4:3:	4:4:4:3:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5,5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]3)(C[5]N[5]O)	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]3)(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,4|C<3>,8|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[5,6a](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	118.1357	1.409	3	116.9377	7.064	4	117.2880	5.911	5	117.4983	4.994	6	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:3:4:3:	4:4:4:3:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5,5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]3)(C[5]N[5]O)	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5]S[5]HH)(C[5]C[5]O)	C[5,6a](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]3)(C[5]N[5]O){1|C<4>,1|O<1>,2|S<2>,4|C<3>,8|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[5,6a](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	118.6890	0.000	1	118.6890	0.000	1	117.2880	5.911	5	117.4983	4.994	6	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:3:4:3:	4:4:4:3:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[5,5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]3)(C[5]N[5]O)	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[5,6a](C[5,5]C[5,5]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]3)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,5|C<3>,8|H<1>}	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[5,6a](C[5,5]C[5,5]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	118.5500	0.000	1	118.5500	0.000	1	118.5500	0.000	1	117.4983	4.994	6	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:3:4:4:	4:3:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)	C[5,5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]O)2(N[5]C[5]C)	C[5,6a](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]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){1|C<4>,2|O<1>,4|H<1>,8|C<3>}	C[5,5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]O)2(N[5]C[5]C){3|H<1>,7|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	111.7235	1.689	2	111.7235	2.854	2	111.7235	2.854	2	111.7235	2.854	2	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:2:	4:3:3:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(O[5]C[5])	C[5,5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(O[5]C[5]){1|C<2>,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]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	117.9490	0.000	1	118.7015	1.133	2	118.7015	1.133	2	118.7015	1.133	2	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:2:	4:3:3:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(O[5]C[5])	C[5,5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(O[5]C[5]){1|C<2>,1|C<4>,1|H<1>,1|O<1>,2|N<3>,4|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[5]C)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,2|N<3>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,5|C<3>}	119.4540	0.000	1	118.7015	1.133	2	118.7015	1.133	2	118.7015	1.133	2	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:2:	4:3:4:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(O[5]C[5])	C[5,5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(O[5]C[5]){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]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	118.4780	0.000	1	117.6495	1.373	2	117.8318	1.486	11	117.8318	1.486	11	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:2:	4:3:4:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(O[5]C[5])	C[5,5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|N<3>,2|O<1>,3|H<1>,4|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[5]HH)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,2|O<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	116.8210	0.000	1	117.6495	1.373	2	117.8318	1.486	11	117.8318	1.486	11	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:2:	4:3:4:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(O[5]C[5])	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[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|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[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	119.1700	0.436	2	117.8723	1.675	9	117.8318	1.486	11	117.8318	1.486	11	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:2:	4:3:4:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(O[5]C[5])	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[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|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[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	117.5016	1.217	7	117.8723	1.675	9	117.8318	1.486	11	117.8318	1.486	11	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:2:	4:4:3:2:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-2:	C[5,5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[5]N[5]O)(N[5]C[5])	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]C[5,6a])	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[5]N[5]O)(N[5]C[5]){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[5,6a]O)(O[5]C[5,6a]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	116.4490	0.000	1	116.4490	0.000	1	116.4490	0.000	1	116.4490	0.000	1	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:2:	4:4:3:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-2:	C[5,5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(C[5]N[5]O)(N[5]C[5])	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(C[5]N[5]O)(N[5]C[5]){1|N<2>,1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|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[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	115.2630	3.283	3	115.2630	10.780	3	115.2630	10.780	3	115.2630	10.780	3	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:3:	3:4:4:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(C[5]N[5]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5]CC)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(C[5]N[5]O){1|O<1>,2|C<2>,2|H<1>,2|N<3>,4|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[5]CC)(C[5]N[5]O){1|C<2>,1|O<1>,2|H<1>,2|N<3>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,3|H<1>,4|C<3>}	113.9330	0.000	1	113.9330	0.000	1	114.4490	3.556	3	114.4490	3.556	3	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:3:	3:4:4:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(C[5]N[5]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	112.8750	0.000	1	112.8750	0.000	1	114.4490	3.556	3	114.4490	3.556	3	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:3:	3:4:4:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(C[5]N[5]O)	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[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(C[5]N[5]O){1|N<3>,1|O<1>,2|H<1>,7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]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[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	116.5390	0.000	1	116.5390	0.000	1	114.4490	3.556	3	114.4490	3.556	3	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:3:	4:3:2:4:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-3:S[5]-2:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]O)(S[5]C[5,6a])(C[5]C[5]CH)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C){1|C<4>,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[5,6a]O)(S[5]C[5,6a])(C[5]C[5]CH){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,2|H<1>,4|C<4>}	115.1350	0.000	1	117.0754	2.262	5	117.0754	2.262	5	117.0754	2.262	5	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:3:	4:3:2:4:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-3:S[5]-2:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]O)(S[5]C[5,6a])(C[5]C[5]CH)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C){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[5,6a]O)(S[5]C[5,6a])(C[5]C[5]CH){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,1|S<2>,2|C<3>,2|H<1>,3|C<4>}	119.2900	0.000	1	117.0754	2.262	5	117.0754	2.262	5	117.0754	2.262	5	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:3:	4:3:2:4:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-3:S[5]-2:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]O)(S[5]C[5,6a])(C[5]C[5]CH)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C){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[5,6a]O)(S[5]C[5,6a])(C[5]C[5]CH){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,3|C<4>,3|H<1>}	116.9840	0.420	3	117.0754	2.262	5	117.0754	2.262	5	117.0754	2.262	5	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:3:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:C[5]-3:	C[5,5]-4:N[5,5]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(C[5]C[5]C)(C[5]N[5]O)	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5]2)(C[5]N[5]O)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,2|N<3>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5]2)(C[5]N[5]O)(H){1|C<2>,1|C<4>,2|C<3>,2|N<3>,2|O<1>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	116.4300	0.000	1	116.4300	0.000	1	116.4300	0.000	1	116.4300	0.000	1	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:3:	4:3:3:2:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[5]C[5]C)(C[5]N[5]O)	C[5,5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]C)(C[5]N[5]O)(O[5]C[5])	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[5]C[5]C)(C[5]N[5]O){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]C)(C[5]N[5]O)(O[5]C[5]){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	116.6690	0.000	1	116.6690	0.000	1	116.6690	0.000	1	116.6690	0.000	1	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:3:	4:3:3:4:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[5]N[5]O)(N[5]C[5]C)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5]CH)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|N<2>,4|H<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5]CH){1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	115.0250	0.000	1	115.0250	0.000	1	114.9840	0.023	3	115.1065	0.075	4	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:3:	4:3:3:4:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[5]N[5]O)(N[5]C[5]C)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(C[5]C[5]CH)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[5]N[5]O)(N[5]C[5]C){1|N<2>,1|N<3>,5|C<3>,5|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(C[5]C[5]CH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	115.1100	0.000	1	115.1100	0.000	1	114.9840	0.023	3	115.1065	0.075	4	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:3:	4:3:3:4:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[5]N[5]O)(N[5]C[5]C)	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[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[5]N[5]O)(N[5]C[5]C){5|H<1>,7|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[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	114.8170	0.000	1	114.8170	0.000	1	114.9840	0.023	3	115.1065	0.075	4	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:3:	4:3:3:4:	4:3:3:	C[5,6a]-3:C[5,5]-4:N[5,5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(N[5,5]C[5,5]C[5])(C[5]N[5]O)	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5,5]CH)	C[5,6a](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(N[5,5]C[5,5]C[5])(C[5]N[5]O){1|N<2>,3|C<4>,5|H<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5,5]CH){1|N<2>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	115.4740	0.000	1	115.4740	0.000	1	115.4740	0.000	1	115.1065	0.075	4	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:3:	4:3:4:2:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-3:C[5]-4:S[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5,6]O)(C[5]C[5]CH)(S[5]C[5,6])	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C){1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5,6]O)(C[5]C[5]CH)(S[5]C[5,6]){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,3|C<4>,3|H<1>}	117.8510	0.000	1	117.8510	0.000	1	117.8510	0.000	1	117.8510	0.000	1	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:3:	4:3:4:3:	3:4:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]O)(N[5]C[5]C)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]O)(N[5]C[5]C){1|N<3>,1|O<1>,4|H<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,3|C<4>,5|C<3>}	116.6320	0.000	1	116.1710	2.301	3	116.6072	2.295	4	115.7566	2.753	7	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:3:	4:3:4:3:	3:4:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]O)(N[5]C[5]C)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]O)(N[5]C[5]C){1|N<3>,1|O<1>,4|H<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,3|C<4>,5|C<3>}	115.9405	2.070	2	116.1710	2.301	3	116.6072	2.295	4	115.7566	2.753	7	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:3:	4:3:4:3:	3:4:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]O)(N[5]C[5]C)	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[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]O)(N[5]C[5]C){1|N<3>,1|O<1>,4|H<1>,6|C<3>}	C[5,5](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[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,3|C<4>,5|C<3>}	117.9160	0.000	1	117.9160	0.000	1	116.6072	2.295	4	115.7566	2.753	7	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:3:	4:3:4:3:	3:4:3:	C[5,6a]-3:C[5,5]-4:N[5,5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,5]CH)(C[5]C[5,6a]O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5,5]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O){1|O<1>,2|C<4>,5|H<1>,7|C<3>}	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,5]CH)(C[5]C[5,6a]O){1|O<1>,2|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5,5]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,3|C<4>,5|C<3>}	113.4960	0.000	1	113.4960	0.000	1	114.6223	1.439	3	115.7566	2.753	7	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:3:	4:3:4:3:	3:4:3:	C[5,6a]-3:C[5,5]-4:N[5,5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5,5]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O){1|N<3>,1|O<1>,2|C<4>,5|H<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5,5]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,3|C<4>,5|C<3>}	115.1855	0.988	2	115.1855	0.976	2	114.6223	1.439	3	115.7566	2.753	7	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:3:	4:3:4:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]C)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<2>,4|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	116.7960	0.000	1	116.7960	0.000	1	116.2358	1.885	16	115.9038	3.810	21	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:3:	4:3:4:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]C)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|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[5]CH)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	115.6730	0.000	1	116.2686	1.278	11	116.2358	1.885	16	115.9038	3.810	21	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:3:	4:3:4:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]C)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]C){1|N<3>,1|O<1>,3|H<1>,7|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[5]CH)(C[5]N[5]O){1|N<3>,1|O<1>,2|H<1>,7|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	115.5530	0.000	1	116.2686	1.278	11	116.2358	1.885	16	115.9038	3.810	21	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:3:	4:3:4:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]C)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]C){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[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	116.1912	0.195	4	116.2686	1.278	11	116.2358	1.885	16	115.9038	3.810	21	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:3:	4:3:4:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]C)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]C){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[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|Br<1>,1|H<1>,1|O<1>,3|C<3>,3|C<4>}	117.7180	0.173	2	116.2686	1.278	11	116.2358	1.885	16	115.9038	3.810	21	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:3:	4:3:4:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]C)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]C){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[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	115.8427	1.871	3	116.2686	1.278	11	116.2358	1.885	16	115.9038	3.810	21	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:3:	4:3:4:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]C)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,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[5]HH)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,6|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	115.8680	0.000	1	114.5295	3.583	2	116.2358	1.885	16	115.9038	3.810	21	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:3:	4:3:4:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]C)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|N<3>,2|O<1>,3|H<1>,4|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[5]HH)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,2|O<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	113.1910	0.000	1	114.5295	3.583	2	116.2358	1.885	16	115.9038	3.810	21	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:3:	4:3:4:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]C)	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[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]C){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[5,6a]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[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	118.6340	0.000	1	118.6340	0.000	1	116.2358	1.885	16	115.9038	3.810	21	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:3:	4:3:4:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]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[5]CH)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|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[5]CH)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	116.3290	0.000	1	116.3290	0.000	1	116.2358	1.885	16	115.9038	3.810	21	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:3:	4:3:4:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:N[5,5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(C[5]N[5]O)	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(C[5]N[5]O){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[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	116.4810	0.000	1	117.6850	2.899	2	115.7677	12.478	3	115.9038	3.810	21	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:3:	4:3:4:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:N[5,5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(C[5]N[5]O)	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,3|C<4>,5|C<3>,5|H<1>}	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O){1|N<3>,1|O<1>,2|H<1>,3|C<4>,4|C<3>}	C[5,6a](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	118.8890	0.000	1	117.6850	2.899	2	115.7677	12.478	3	115.9038	3.810	21	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:3:	4:3:4:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:N[5,5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]N[5])(C[5]N[5]O)	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]N[5])(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,4|H<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O){1|O<1>,2|C<4>,2|H<1>,2|N<3>,4|C<3>}	C[5,6a](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|N<3>,1|O<1>,3|C<3>,3|C<4>}	111.9330	0.000	1	111.9330	0.000	1	115.7677	12.478	3	115.9038	3.810	21	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:3:	4:3:4:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:N[5,6]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,6]C[6])(C[5]N[5]O)	C[5,5](C[5,5]C[5,6a]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,6]C[6])(C[5]N[5]O){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[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(C[5]N[5]O){1|N<3>,1|O<1>,2|H<1>,3|C<4>,4|C<3>}	C[5,6a](C[5,5]C[5,5]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	115.5880	0.000	1	115.5880	0.000	1	115.5880	0.000	1	115.9038	3.810	21	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:3:	4:3:4:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:N[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5]C[6a]C[5])(C[5]N[5]O)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5]C[6a]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,5|H<1>,7|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[5]HH)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	111.3160	0.000	1	111.3160	0.000	1	111.3160	0.000	1	115.9038	3.810	21	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:3:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(C[5]N[5]O)	C[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|H<1>,1|N<3>,2|O<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	112.4710	0.386	2	113.6907	4.537	3	113.6907	4.537	3	116.1728	16.112	6	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:3:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(C[5]N[5]O)	C[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(C[5]N[5]O){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|H<1>,1|N<3>,2|O<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<1>,2|H<1>,5|C<3>}	116.1300	0.000	1	113.6907	4.537	3	113.6907	4.537	3	116.1728	16.112	6	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:3:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:N[5,5]-3:C[5]-3:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]N[5])(C[5]N[5]O)	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(H)	C[5,6a](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]N[5])(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,2|N<3>,2|O<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	121.0065	1.158	2	121.0065	1.340	2	121.0065	1.340	2	116.1728	16.112	6	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:3:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:N[5]-3:C[5]-3:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(C[5]N[5]O)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|H<1>,1|N<3>,2|O<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	113.9520	0.000	1	113.9520	0.000	1	113.9520	0.000	1	116.1728	16.112	6	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:3:	4:4:3:2:	3:4:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6]-4:C[5]-3:N[5]-2:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6]C[5]N[5])(C[5]C[5,6a]O)(N[5]C[5]C)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6]C[5]C[6]2)(C[5]O[5]O)(N[5]C[5])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6]C[5]N[5])(C[5]C[5,6a]O)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6]C[5]C[6]2)(C[5]O[5]O)(N[5]C[5]){1|O<1>,3|C<4>,4|C<3>,6|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<1>,3|C<4>,4|C<3>}	116.6820	0.000	1	116.6820	0.000	1	116.6820	0.000	1	117.0775	0.313	2	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:3:	4:4:3:2:	3:4:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C[5]-3:N[5]-2:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5]2N[5])(C[5]C[5,6a]O)(N[5]C[5]C)	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[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5]2N[5])(C[5]C[5,6a]O)(N[5]C[5]C){1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[5,5](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[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<1>,3|C<4>,4|C<3>}	117.4730	0.000	1	117.4730	0.000	1	117.4730	0.000	1	117.0775	0.313	2	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:3:	4:4:3:2:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[5]C[5]C)(C[5]N[5]O)	C[5,5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]C[5,6a])	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]C[5,6a]){1|H<1>,1|N<3>,1|O<1>,7|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	113.2350	0.000	1	113.2350	0.000	1	113.2350	0.000	1	117.1600	2.978	25	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:3:	4:4:3:2:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH)(C[5]N[5]O)(S[5]C[5])	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C){1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH)(C[5]N[5]O)(S[5]C[5]){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,1|S<2>,2|C<3>,5|C<4>}	117.3350	0.000	1	116.1470	2.823	2	117.3235	2.410	24	117.1600	2.978	25	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:3:	4:4:3:2:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH)(C[5]N[5]O)(S[5]C[5])	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C){1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH)(C[5]N[5]O)(S[5]C[5]){1|C<4>,1|O<1>,2|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,1|S<2>,2|C<3>,5|C<4>}	114.9590	0.000	1	116.1470	2.823	2	117.3235	2.410	24	117.1600	2.978	25	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:3:	4:4:3:2:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C)	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[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C){1|N<3>,1|O<1>,4|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[5,5]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[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,3|C<4>,3|H<1>}	115.4255	0.193	2	115.4255	0.037	2	117.3235	2.410	24	117.1600	2.978	25	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:3:	4:4:3:2:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C)	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[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C){1|N<3>,1|O<1>,4|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[5,5a]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[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,3|C<4>,3|H<1>}	116.6720	1.181	3	116.8340	1.035	4	117.3235	2.410	24	117.1600	2.978	25	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:3:	4:4:3:2:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C)	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[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C){1|N<3>,1|O<1>,4|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[5,5a]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[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,3|C<4>,3|H<1>}	117.3200	0.000	1	116.8340	1.035	4	117.3235	2.410	24	117.1600	2.978	25	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:3:	4:4:3:2:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C)	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[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,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]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[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,1|S<2>,2|C<3>,4|C<4>}	117.7410	0.000	1	117.9073	1.780	13	117.3235	2.410	24	117.1600	2.978	25	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:3:	4:4:3:2:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C)	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[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,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]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[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,2|H<1>,4|C<4>}	117.4635	2.020	2	117.9073	1.780	13	117.3235	2.410	24	117.1600	2.978	25	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:3:	4:4:3:2:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C)	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[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,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]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[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,1|S<2>,2|C<3>,4|C<4>}	115.6730	0.000	1	117.9073	1.780	13	117.3235	2.410	24	117.1600	2.978	25	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:3:	4:4:3:2:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C)	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[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C){1|N<3>,1|O<1>,4|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[5,6]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[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,3|C<4>,3|H<1>}	118.1885	2.022	2	117.9073	1.780	13	117.3235	2.410	24	117.1600	2.978	25	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:3:	4:4:3:2:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C)	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[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C){1|N<3>,1|O<1>,4|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[5,6]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[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,3|C<4>,3|H<1>}	118.2967	1.046	7	117.9073	1.780	13	117.3235	2.410	24	117.1600	2.978	25	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:3:	4:4:3:2:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C)	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[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C){1|N<3>,1|O<1>,4|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]O)(S[5]C[5]){1|C<4>,1|N<3>,1|O<1>,1|S<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,3|C<4>,3|H<1>}	118.9125	0.776	2	118.9125	0.602	2	117.3235	2.410	24	117.1600	2.978	25	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:3:	4:4:3:2:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH)(C[5]N[5]O)(S[5]C[5])	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH)(C[5]N[5]O)(S[5]C[5]){1|C<4>,1|N<3>,1|O<1>,1|S<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,3|C<4>,3|H<1>}	114.6640	0.000	1	114.6640	0.000	1	117.3235	2.410	24	117.1600	2.978	25	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:3:	4:4:3:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(C[5]N[5]O)(N[5]C[5]C)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,2|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[5,6a]O)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	116.1430	0.000	1	115.7918	0.141	4	115.7918	0.141	4	115.7918	0.141	4	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:3:	4:4:3:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(C[5]N[5]O)(N[5]C[5]C)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(C[5]N[5]O)(N[5]C[5]C){2|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]C[5,6a]O)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	115.6747	0.359	3	115.7918	0.141	4	115.7918	0.141	4	115.7918	0.141	4	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:3:	4:4:3:4:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C[5]-3:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(C[5]N[5]O)(N[5]C[5]C)	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[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(C[5]N[5]O)(N[5]C[5]C){1|O<1>,2|C<4>,3|C<3>,7|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[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	118.3810	0.000	1	118.3810	0.000	1	118.3810	0.000	1	118.3810	0.000	1	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:3:	4:4:4:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(C[5]N[5]O)(N[5]C[5]C)	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[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,4|C<3>,6|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]HH)(C[5]N[5]O){1|N<3>,2|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,5|C<4>}	116.3120	0.000	1	116.3120	0.000	1	117.0315	0.783	4	117.0315	0.783	4	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:3:	4:4:4:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(C[5]N[5]O)(N[5]C[5]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[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(C[5]N[5]O)(N[5]C[5]H){1|O<1>,6|C<3>,6|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[5,6a]HH)(C[5]C[5,6a]O){1|N<3>,1|O<1>,2|H<1>,7|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	116.6190	0.000	1	116.6190	0.000	1	117.0315	0.783	4	117.0315	0.783	4	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:3:	4:4:4:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(C[5]N[5]O)(N[5]C[5]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[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(C[5]N[5]O)(N[5]C[5]H){1|N<3>,1|O<1>,2|C<4>,4|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[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	117.5975	1.010	2	117.5975	1.021	2	117.0315	0.783	4	117.0315	0.783	4	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:2:	4:4:4:3:	3:4:3:	C[5,6a]-3:C[5,5]-4:C[5,5]-4:O-2:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5,5]C[5]3)(OH)	C[5,5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5,5]2O)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5,5]C[5]3)(OH){1|O<1>,6|C<3>,7|H<1>}	C[5,5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O){1|C<4>,2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5,5]2O)(C[6a]C[6a]H){2|C<3>,3|C<4>,5|H<1>}	115.8380	0.000	1	115.8380	0.000	1	115.8380	0.000	1	115.8380	0.000	1	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:2:	4:4:4:4:	3:4:3:	C[5,6a]-3:C[5,5]-4:C[5,5]-4:O-2:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5,5]C[5]3)(OH)	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[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5,5]2O)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5,5]C[5]3)(OH){1|O<2>,6|C<3>,8|H<1>}	C[5,5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]HO){1|C<4>,2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5,5]2O)(C[6a]C[6a]H){1|C<3>,4|C<4>,5|H<1>}	118.5200	0.000	1	118.5200	0.000	1	118.5200	0.000	1	118.5200	0.000	1	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:3:	3:4:3:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5]CC)(C[5]N[5]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5]CC)(C[5]N[5]O){1|C<2>,1|O<1>,2|H<1>,2|N<3>,4|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[5]C)(C[5]N[5]O){1|O<1>,2|C<2>,2|H<1>,2|N<3>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<2>,3|H<1>,5|C<3>}	116.1760	0.000	1	116.1760	0.000	1	115.9800	2.143	3	115.9800	2.143	3	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:3:	3:4:3:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(C[5]N[5]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,6|C<3>}	114.4280	0.000	1	114.4280	0.000	1	115.9800	2.143	3	115.9800	2.143	3	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:3:	3:4:3:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(C[5]N[5]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]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[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(C[5]N[5]O){1|N<3>,1|O<1>,2|H<1>,7|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,7|C<3>}	117.3360	0.000	1	117.3360	0.000	1	115.9800	2.143	3	115.9800	2.143	3	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:3:	3:4:4:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(C[5]N[5]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(C[5]N[5]O){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[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|H<1>,3|C<4>,4|C<3>}	115.6845	0.906	2	115.4707	1.024	6	115.4707	1.024	6	115.4707	1.024	6	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:3:	3:4:4:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(C[5]N[5]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(C[5]N[5]O){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[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,1|O<1>,2|H<1>,3|C<4>,4|C<3>}	114.9845	1.189	2	115.4707	1.024	6	115.4707	1.024	6	115.4707	1.024	6	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:3:	3:4:4:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(C[5]N[5]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(C[5]N[5]O){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[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<4>,3|H<1>,4|C<3>}	115.7430	1.475	2	115.4707	1.024	6	115.4707	1.024	6	115.4707	1.024	6	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:3:	4:3:2:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:N[5,5]-3:S[5]-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]S[5]H)(C[5]C[5]CH)(C[5]N[5]O)	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,6a]C[5])(S[5]C[5,6a])(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]S[5]H)(C[5]C[5]CH)(C[5]N[5]O){1|C<4>,2|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,6a]C[5])(S[5]C[5,6a])(H){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|C<4>,3|H<1>}	116.3870	0.435	3	116.3077	0.151	4	116.6634	0.746	5	116.6634	0.746	5	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:3:	4:3:2:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:N[5,5]-3:S[5]-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]S[5]H)(C[5]C[5]CH)(C[5]N[5]O)	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,6a]C[5])(S[5]C[5,6a])(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]S[5]H)(C[5]C[5]CH)(C[5]N[5]O){1|C<4>,2|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,6a]C[5])(S[5]C[5,6a])(H){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|C<4>,4|H<1>}	116.0700	0.000	1	116.3077	0.151	4	116.6634	0.746	5	116.6634	0.746	5	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:3:	4:3:2:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:N[5,5]-3:S[5]-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]S[5]H)(C[5]C[5]CH)(C[5]N[5]O)	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5]2)(S[5]C[5])(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]S[5]H)(C[5]C[5]CH)(C[5]N[5]O){1|C<4>,2|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5]2)(S[5]C[5])(H){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|C<4>,3|H<1>}	118.0860	0.000	1	118.0860	0.000	1	116.6634	0.746	5	116.6634	0.746	5	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:3:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:N[5,5]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[5]N[5]O)	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5]2)(C[5]C[5]C)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]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[5,5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5]2)(C[5]C[5]C)(H){1|N<3>,1|O<1>,4|C<3>,6|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	115.6365	1.528	2	115.6365	2.335	2	115.6365	2.335	2	115.6365	2.335	2	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:3:	4:3:3:2:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-3:C[5]-3:S[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]C[5]CO)(C[5]N[5]O)	C[5,5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5])(C[5]C[5,6a]O)(S[5]C[5,6a])	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]C[5]CO)(C[5]N[5]O){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5])(C[5]C[5,6a]O)(S[5]C[5,6a]){1|H<1>,1|N<3>,1|O<1>,1|O<2>,7|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,1|S<2>,2|O<2>,5|C<3>}	115.3230	0.000	1	116.3260	2.012	2	116.3260	2.012	2	116.3260	2.012	2	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:3:	4:3:3:2:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-3:C[5]-3:S[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]C[5]CO)(C[5]N[5]O)	C[5,5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5])(C[5]C[5,6a]O)(S[5]C[5,6a])	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]C[5]CO)(C[5]N[5]O){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5])(C[5]C[5,6a]O)(S[5]C[5,6a]){1|H<1>,1|N<3>,1|O<1>,1|O<2>,7|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,1|S<2>,2|H<1>,5|C<3>}	117.3290	0.000	1	116.3260	2.012	2	116.3260	2.012	2	116.3260	2.012	2	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:3:	4:3:3:3:	3:4:3:	C[5,6a]-3:C[5,5]-4:C[5,5]-4:N-3:	C[5,5]-4:C[5,6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]N[5]H)(NOO)	C[5,5](C[5,5]C[5,6a]C[5,5]N)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5,5]2N)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]N[5]H)(NOO){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,5]N)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5,5]2N)(C[6a]C[6a]H){3|H<1>,6|C<3>}	119.0450	0.330	2	119.0450	0.109	2	119.0450	0.109	2	119.0450	0.109	2	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:3:	4:3:3:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[5]N[5]O)	C[5,5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]O)2(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]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[5,5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]O)2(N[5]C[5]C){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	113.3715	0.952	2	113.3715	0.907	2	113.3715	0.907	2	113.3715	0.907	2	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:3:	4:3:4:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[5]N[5]O)	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[5]N[5]O){2|C<4>,4|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){1|N<3>,1|O<1>,5|C<3>,5|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	111.5658	1.142	4	111.5658	1.304	4	111.5658	1.304	4	111.5658	1.304	4	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:3:	4:3:4:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5,5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(C[5]N[5]O)	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[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(C[5]N[5]O){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[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	113.9590	0.000	1	113.9590	0.000	1	113.9590	0.000	1	113.9590	0.000	1	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:3:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5,5]-4:C[5]-3:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(C[5]N[5]O)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(C[5]N[5]O){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[5,5]C[5]2H)(C[5]N[5]O)(H){1|H<1>,1|N<3>,2|O<1>,6|C<3>}	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	118.7270	0.000	1	118.7270	0.000	1	118.7270	0.000	1	116.7205	8.052	2	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:3:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(C[5]N[5]O)	C[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(N[5]C[5]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(C[5]N[5]O){1|C<4>,4|C<3>,5|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(N[5]C[5]H)(H){1|N<3>,2|O<1>,4|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	114.7140	0.000	1	114.7140	0.000	1	114.7140	0.000	1	116.7205	8.052	2	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:4:	4:3:4:3:	3:4:3:	C[5,6a]-3:C[5,5]-4:C[5,5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5,5]N[5]2H)(CH3)	C[5,5](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5,5]2C)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5,5]N[5]2H)(CH3){1|C<4>,1|N<3>,1|O<1>,1|S<4>,3|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(C[5]N[5]O){1|C<4>,1|N<3>,1|S<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5,5]2C)(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	113.1450	0.000	1	113.1450	0.000	1	113.1450	0.000	1	113.1450	0.000	1	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:3:3:2:	4:3:3:3:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O[5]C[5])	C[5,5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]H)	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O[5]C[5]){1|N<3>,1|O<1>,1|S<1>,3|H<1>,4|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]N[5]O)(N[5]C[5]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|S<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	117.8220	0.000	1	117.2645	0.622	2	117.2645	0.622	2	117.2645	0.622	2	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:3:3:2:	4:3:3:3:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O[5]C[5])	C[5,5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]H)	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O[5]C[5]){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|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]N[5]O)(N[5]C[5]H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	116.7070	0.000	1	117.2645	0.622	2	117.2645	0.622	2	117.2645	0.622	2	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:3:3:3:	3:4:3:2:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-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[5]C)(C[5]N[5]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(O[5]C[5])	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]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[5]C)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(O[5]C[5]){1|C<2>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	114.6640	0.000	1	115.0700	0.330	2	115.0700	0.330	2	115.0700	0.330	2	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:3:3:3:	3:4:3:2:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-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[5]C)(C[5]N[5]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(O[5]C[5])	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]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[5]C)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,2|N<3>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(O[5]C[5]){1|C<2>,1|C<4>,1|H<1>,1|O<1>,2|N<3>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	115.4760	0.000	1	115.0700	0.330	2	115.0700	0.330	2	115.0700	0.330	2	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:3:3:3:	3:4:4:3:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[5,5]-4:N-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]C[5,5]N)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]N[5]H)(NOO)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]C[5,5]N)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]N[5]H)(NOO){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	115.0665	0.842	2	115.0665	0.709	2	115.0665	0.709	2	115.0665	0.709	2	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:3:3:3:	4:3:3:2:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[5]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O[5]C[5])	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|S<1>,4|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]N[5]O)(O[5]C[5]){1|N<3>,1|O<1>,1|S<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	113.9710	0.000	1	115.6285	5.495	2	115.6285	5.495	2	115.6285	5.495	2	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:3:3:3:	4:3:3:2:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[5]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O[5]C[5])	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O[5]C[5]){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	117.2860	0.000	1	115.6285	5.495	2	115.6285	5.495	2	115.6285	5.495	2	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:3:3:3:	4:3:3:3:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]C)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]H)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|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]N[5]O)(N[5]C[5]H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	114.5450	0.805	2	114.5450	0.648	2	116.0310	3.238	4	116.3711	2.939	8	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:3:3:3:	4:3:3:3:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,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]N[5]O)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	117.5170	0.482	2	117.5170	0.233	2	116.0310	3.238	4	116.3711	2.939	8	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:3:3:3:	4:3:3:3:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:N[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|S<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,1|S<1>,3|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	116.3810	0.000	1	117.6325	3.133	2	117.6325	3.133	2	116.3711	2.939	8	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:3:3:3:	4:3:3:3:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:N[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	118.8840	0.000	1	117.6325	3.133	2	117.6325	3.133	2	116.3711	2.939	8	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:3:3:3:	4:3:3:3:	4:3:3:	C[5,5]-4:C[5,6a]-3:N[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]O)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]H)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,7|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]N[5]O)(N[5]C[5]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	114.4850	0.000	1	115.7900	3.406	2	115.7900	3.406	2	116.3711	2.939	8	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:3:3:3:	4:3:3:3:	4:3:3:	C[5,5]-4:C[5,6a]-3:N[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]O)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]H)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,1|S<1>,3|H<1>,6|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]N[5]O)(N[5]C[5]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|S<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	117.0950	0.000	1	115.7900	3.406	2	115.7900	3.406	2	116.3711	2.939	8	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:3:3:4:	3:4:3:3:	4:3:2:	C[5,5]-4:C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5]CH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[5]N[5]O)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5]CH){1|C<4>,1|N<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[5,5]C[5,6a]2C[5])(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|N<2>,4|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,1|N<3>,7|C<3>}	109.3480	0.000	1	109.3480	0.000	1	109.3480	0.000	1	112.4677	11.690	3	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:3:3:4:	3:4:3:3:	4:3:2:	C[5,5]-4:C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:N[5,6a]-3:N[6a]-2:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(C[5]C[5]CH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[5]N[5]O)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,6a]C[5,5]C[5])(N[5,6a]C[5,6a]C[6a])(N[6a]C[6a,6a])	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(C[5]C[5]CH){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[5,5]C[5,6a]2C[5])(C[5]N[5]O)(N[5]C[5]C){1|N<2>,1|N<3>,5|C<3>,5|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C[5])(N[5,6a]C[5,6a]C[6a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,7|C<3>}	111.9320	0.000	1	111.9320	0.000	1	111.9320	0.000	1	112.4677	11.690	3	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:3:3:4:	3:4:3:3:	4:3:2:	C[5,5]-4:C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[5,5]-4:N[5,5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5,5]CH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(N[5,5]C[5,5]C[5])(C[5]N[5]O)	C[5,6a](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5,5]CH){1|N<2>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(N[5,5]C[5,5]C[5])(C[5]N[5]O){1|N<2>,3|C<4>,5|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,1|N<3>,7|C<3>}	116.1230	0.000	1	116.1230	0.000	1	116.1230	0.000	1	112.4677	11.690	3	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:3:3:4:	3:4:3:3:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5]CH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[5]N[5]O)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5]CH){1|C<4>,1|N<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[5,5]C[5,6a]2C[5])(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|N<2>,4|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|N<2>,3|H<1>,4|C<3>}	112.1550	0.000	1	112.1550	0.000	1	111.5705	3.198	4	112.0966	3.782	5	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:3:3:4:	3:4:3:3:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(C[5]C[5]CH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[5]N[5]O)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(C[5]C[5]CH){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[5,5]C[5,6a]2C[5])(C[5]N[5]O)(N[5]C[5]C){1|N<2>,1|N<3>,5|C<3>,5|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<2>,1|N<3>,2|H<1>,5|C<3>}	112.5620	0.000	1	112.5620	0.000	1	111.5705	3.198	4	112.0966	3.782	5	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:3:3:4:	3:4:3:3:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[5]N[5]O)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]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){1|C<4>,1|N<3>,1|O<1>,4|H<1>,8|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[5]N[5]O)(N[5]C[5]C){5|H<1>,7|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	110.7825	2.651	2	110.7825	7.028	2	111.5705	3.198	4	112.0966	3.782	5	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:3:3:4:	3:4:3:3:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[5,5]-4:N[5,5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5,5]CH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(N[5,5]C[5,5]C[5])(C[5]N[5]O)	C[5,6a](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5,5]CH){1|N<2>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(N[5,5]C[5,5]C[5])(C[5]N[5]O){1|N<2>,3|C<4>,5|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|N<2>,3|H<1>,4|C<3>}	114.2010	0.000	1	114.2010	0.000	1	114.2010	0.000	1	112.0966	3.782	5	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:3:3:4:	4:3:3:4:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5,5]-3:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[5,5]-3:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2)(C[5]C[5]HH)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2)(C[5]C[5]HH)	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2)(C[5]C[5]HH){1|C<4>,1|N<2>,1|N<3>,4|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]C[6a])(C[5,5]N[5]2)(C[5]C[5]HH){1|C<4>,1|N<2>,1|N<3>,4|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	109.8325	0.852	2	109.8325	0.726	2	109.8325	0.726	2	109.8325	0.726	2	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:3:4:1:	4:3:4:3:	4:3:3:	C[3x5]-4:C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[3x5]C[5,5]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]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[5,6a](C[5,5]C[3x5]C[5,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[3x5]C[5,5]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(H){1|N<3>,1|O<1>,4|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[5,6a](C[5,5]C[3x5]C[5,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	115.0320	0.000	1	115.0320	0.000	1	115.0320	0.000	1	115.0320	0.000	1	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:3:4:1:	4:4:3:3:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-3:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-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)	C[5,5](C[5,5]C[5,6a]C[5,5]H)(C[5,5]C[5]N[5]C)(C[5]O[5]O)(CC[6a]O)	C[5,6a](C[5,6a]C[6a]S[5])(C[5,5]C[5,5]2H)(C[6a]C[6a]H)	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[5,5](C[5,5]C[5,6a]C[5,5]H)(C[5,5]C[5]N[5]C)(C[5]O[5]O)(CC[6a]O){1|C<4>,1|O<1>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5,5]C[5,5]2H)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	115.1960	0.000	1	115.1960	0.000	1	115.1960	0.000	1	115.1960	0.000	1	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:3:4:3:	3:4:3:2:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-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[5]HH)(C[5]N[5]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(O[5]C[5])	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]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[5]HH)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,2|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|N<3>,2|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	113.3990	0.000	1	115.5580	9.323	2	115.0205	4.408	11	115.0205	4.408	11	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:3:4:3:	3:4:3:2:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-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[5]HH)(C[5]N[5]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(O[5]C[5])	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]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[5]HH)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	117.7170	0.000	1	115.5580	9.323	2	115.0205	4.408	11	115.0205	4.408	11	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:3:4:3:	3:4:3:2:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(O[5]C[5])	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]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){1|C<4>,1|N<3>,1|O<1>,2|H<1>,7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	116.2110	0.526	2	114.9010	4.256	9	115.0205	4.408	11	115.0205	4.408	11	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:3:4:3:	3:4:3:2:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(O[5]C[5])	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]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){1|N<3>,1|O<1>,2|H<1>,8|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	114.5267	2.212	7	114.9010	4.256	9	115.0205	4.408	11	115.0205	4.408	11	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:3:4:3:	3:4:3:3:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:N[5,5]-3:C[5]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,5]CH)(C[5]C[5,6a]O)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]2)(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,5]CH)(C[5]C[5,6a]O){1|O<1>,2|C<4>,2|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O){1|O<1>,2|C<4>,5|H<1>,7|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,6|C<3>}	111.0390	0.000	1	111.0390	0.000	1	111.0390	0.000	1	111.0390	0.000	1	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:3:4:3:	3:4:3:3:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-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[5]CC)(C[5]N[5]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]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[5]CC)(C[5]N[5]O){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[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<2>,4|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<2>,3|C<3>,3|H<1>}	117.5590	0.000	1	117.5590	0.000	1	114.1969	2.494	20	114.1828	2.012	27	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:3:4:3:	3:4:3:3:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-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[5]CH)(C[5]N[5]O)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]O)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]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[5]CH)(C[5]N[5]O){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]O)(N[5]C[5]C){1|N<3>,1|O<1>,4|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	115.2010	0.000	1	114.4813	1.181	3	114.1969	2.494	20	114.1828	2.012	27	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:3:4:3:	3:4:3:3:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-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[5]CH)(C[5]N[5]O)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]O)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]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[5]CH)(C[5]N[5]O){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]O)(N[5]C[5]C){1|N<3>,1|O<1>,4|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	114.1215	1.259	2	114.4813	1.181	3	114.1969	2.494	20	114.1828	2.012	27	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:3:4:3:	3:4:3:3:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-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[5]CH)(C[5]N[5]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]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[5]CH)(C[5]N[5]O){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[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	114.2300	0.000	1	113.6731	2.414	11	114.1969	2.494	20	114.1828	2.012	27	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:3:4:3:	3:4:3:3:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-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[5]CH)(C[5]N[5]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]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[5]CH)(C[5]N[5]O){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[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]C){1|N<3>,1|O<1>,5|C<3>,5|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	112.9722	1.519	6	113.6731	2.414	11	114.1969	2.494	20	114.1828	2.012	27	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:3:4:3:	3:4:3:3:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-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[5]CH)(C[5]N[5]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]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[5]CH)(C[5]N[5]O){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])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]C){1|N<3>,1|O<1>,5|C<3>,5|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	113.6870	0.000	1	113.6731	2.414	11	114.1969	2.494	20	114.1828	2.012	27	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:3:4:3:	3:4:3:3:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-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[5]CH)(C[5]N[5]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]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[5]CH)(C[5]N[5]O){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])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]C){1|N<3>,1|O<1>,5|C<3>,5|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	115.6950	1.003	2	113.6731	2.414	11	114.1969	2.494	20	114.1828	2.012	27	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:3:4:3:	3:4:3:3:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-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[5]CH)(C[5]N[5]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]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[5]CH)(C[5]N[5]O){1|N<3>,1|O<1>,2|H<1>,7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]C){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	113.2640	0.000	1	113.6731	2.414	11	114.1969	2.494	20	114.1828	2.012	27	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:3:4:3:	3:4:3:3:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-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[5]CH)(C[5]N[5]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]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[5]CH)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	112.5990	0.000	1	112.5990	0.000	1	114.1969	2.494	20	114.1828	2.012	27	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:3:4:3:	3:4:3:3:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-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[5]HH)(C[5]N[5]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]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[5]HH)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,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]N[5]O)(N[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	114.3640	0.000	1	115.1350	1.189	2	114.1969	2.494	20	114.1828	2.012	27	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:3:4:3:	3:4:3:3:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-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[5]HH)(C[5]N[5]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]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[5]HH)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,2|O<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|N<3>,2|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	115.9060	0.000	1	115.1350	1.189	2	114.1969	2.494	20	114.1828	2.012	27	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:3:4:3:	3:4:3:3:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-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)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]O)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]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){1|C<4>,1|O<1>,4|H<1>,7|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]O)(N[5]C[5]C){1|N<3>,1|O<1>,4|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	114.9150	0.000	1	114.9150	0.000	1	114.1969	2.494	20	114.1828	2.012	27	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:3:4:3:	3:4:3:3:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]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){1|C<4>,1|N<3>,1|O<1>,4|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]C){1|N<3>,1|O<1>,5|C<3>,5|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	114.7480	0.000	1	114.7480	0.000	1	114.1969	2.494	20	114.1828	2.012	27	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:3:4:3:	3:4:3:3:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:N[5,5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O){1|N<3>,1|O<1>,2|C<4>,5|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	113.8505	1.126	2	113.8505	1.269	2	114.1182	1.192	5	114.1828	2.012	27	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:3:4:3:	3:4:3:3:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:N[5,5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O){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])(C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,5|C<3>,6|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	113.1370	0.000	1	114.4010	3.195	2	114.1182	1.192	5	114.1828	2.012	27	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:3:4:3:	3:4:3:3:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:N[5,5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O){1|N<3>,1|O<1>,2|H<1>,3|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,3|C<4>,5|C<3>,5|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	115.6650	0.000	1	114.4010	3.195	2	114.1182	1.192	5	114.1828	2.012	27	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:3:4:3:	3:4:3:3:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:N[5,5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]N[5])(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O){1|O<1>,2|C<4>,2|H<1>,2|N<3>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]N[5])(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,4|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	114.0880	0.000	1	114.0880	0.000	1	114.1182	1.192	5	114.1828	2.012	27	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:3:4:3:	3:4:3:3:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:N[5,6]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(C[5]N[5]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,6]C[6])(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(C[5]N[5]O){1|N<3>,1|O<1>,2|H<1>,3|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,6]C[6])(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,5|C<3>,6|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	113.9380	0.000	1	113.9380	0.000	1	113.9380	0.000	1	114.1828	2.012	27	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:3:4:3:	3:4:3:3:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:N[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-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[5]HH)(C[5]N[5]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5]C[6a]C[5])(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]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[5]HH)(C[5]N[5]O){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[5,5]C[5,6a]C[5]2)(N[5]C[6a]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,5|H<1>,7|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	114.4680	0.000	1	114.4680	0.000	1	114.4680	0.000	1	114.1828	2.012	27	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:3:4:3:	3:4:4:3:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[5,5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]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){1|N<3>,1|O<1>,3|H<1>,9|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(C[5]N[5]O){2|N<3>,2|O<1>,3|H<1>,7|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	113.6960	0.000	1	113.6960	0.000	1	113.6960	0.000	1	113.6960	0.000	1	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:3:4:3:	3:4:4:4:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[5,5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(C[5]N[5]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5,5]N[5]2H)(CH3)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(C[5]N[5]O){1|C<4>,1|N<3>,1|S<4>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5,5]N[5]2H)(CH3){1|C<4>,1|N<3>,1|O<1>,1|S<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	115.2560	0.000	1	115.2560	0.000	1	115.2560	0.000	1	115.2560	0.000	1	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:3:4:3:	4:3:4:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[3x5]-4:C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-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)	C[5,5](C[3x5]C[5,5]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]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){1|C<4>,1|N<3>,1|O<2>,2|H<1>,7|C<3>}	C[5,5](C[3x5]C[5,5]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(H){1|N<3>,1|O<1>,4|H<1>,7|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	114.2150	0.000	1	114.2150	0.000	1	114.2150	0.000	1	114.2150	0.000	1	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:3:4:4:	4:3:4:4:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-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)	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[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]2C[5])(C[6a]C[6a]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){11|C<3>,1|C<4>,1|O<1>,4|H<1>}	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[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]2C[5])(C[6a]C[6a]H){3|C<4>,3|H<1>,6|C<3>}	111.9185	0.025	2	111.9185	0.001	2	111.9185	0.001	2	111.9185	0.001	2	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:3:4:4:	4:3:4:4:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH){1|C<4>,1|S<4>,2|N<3>,5|C<3>,6|H<1>}	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH){1|C<4>,1|S<4>,2|N<3>,5|C<3>,6|H<1>}	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,6|H<1>}	113.9160	0.433	2	113.2839	0.432	12	113.2839	0.432	12	113.2839	0.432	12	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:3:4:4:	4:3:4:4:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH){1|C<4>,2|N<3>,5|C<3>,7|H<1>}	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH){1|C<4>,2|N<3>,5|C<3>,7|H<1>}	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,6|H<1>}	113.3940	0.246	2	113.2839	0.432	12	113.2839	0.432	12	113.2839	0.432	12	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:3:4:4:	4:3:4:4:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH){1|S<4>,2|C<4>,2|N<3>,4|C<3>,6|H<1>}	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH){1|S<4>,2|C<4>,2|N<3>,4|C<3>,6|H<1>}	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,4|C<4>,5|H<1>}	113.2527	0.487	4	113.2839	0.432	12	113.2839	0.432	12	113.2839	0.432	12	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:3:4:4:	4:3:4:4:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH){2|N<3>,3|C<4>,4|C<3>,6|H<1>}	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH){2|N<3>,3|C<4>,4|C<3>,6|H<1>}	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,4|C<4>,5|H<1>}	112.9440	0.913	4	113.2839	0.432	12	113.2839	0.432	12	113.2839	0.432	12	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:4:3:4:	4:4:3:4:	4:3:3:	C[5,5]-4:C[5,5]-4:C[5,6a]-3:C[5]-4:	C[5,5]-4:C[5,5]-4:C[5,6a]-3:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]N[5,6,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,3x6]HO)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]N[5,6,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,3x6]HO)	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]N[5,6,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,3x6]HO){1|C<4>,1|O<2>,1|S<2>,2|N<3>,4|H<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]N[5,6,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,3x6]HO){1|C<4>,1|O<2>,1|S<2>,2|N<3>,4|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	113.3225	0.322	2	113.3225	0.104	2	113.3225	0.104	2	113.3225	0.104	2	115.4746	5.219	247	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5a]	3:3:4:3:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5a]-3:C[5,5]-4:C[5]-3:	C[5,5]-4:N[5,6]-3:N[5]-3:H-1:	C[5,5]-4:C[5a,6a]-3:C[5a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5,5]N[5,6]N[5]H)(C[5]C[5,6]H)	C[5,5](C[5,5]C[5,6a]C[5a]C[5])(N[5,6]C[5,6]C[6])(N[5]C[5,6a]H)(H)	C[5a](C[5,5]C[5,6a]C[5,5]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5,5]N[5,6]N[5]H)(C[5]C[5,6]H){1|N<3>,3|H<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]C[5a]C[5])(N[5,6]C[5,6]C[6])(N[5]C[5,6a]H)(H){1|H<1>,1|O<1>,6|C<3>}	C[5a](C[5,5]C[5,6a]C[5,5]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){2|N<3>,4|H<1>,5|C<3>}	115.6170	0.000	1	115.6170	0.000	1	115.6170	0.000	1	115.6170	0.000	1	114.4974	3.055	8	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5a]	3:3:4:4:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5a]-3:C[5,5]-4:C[5]-4:	C[5,5]-4:N[5,6]-3:N[5]-3:H-1:	C[5,5]-4:C[5a,6a]-3:C[5a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5,5]N[5,6]N[5]H)(C[5]C[5,6]HH)	C[5,5](C[5,5]C[5,6a]C[5a]C[5])(N[5,6]C[5,6]C[6])(N[5]C[5,6a]H)(H)	C[5a](C[5,5]C[5,6a]C[5,5]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5,5]N[5,6]N[5]H)(C[5]C[5,6]HH){1|N<3>,1|S<2>,3|H<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]C[5a]C[5])(N[5,6]C[5,6]C[6])(N[5]C[5,6a]H)(H){1|C<4>,1|O<1>,1|S<2>,2|H<1>,5|C<3>}	C[5a](C[5,5]C[5,6a]C[5,5]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,2|N<3>,4|C<3>,5|H<1>}	114.1500	0.000	1	114.1500	0.000	1	112.3780	6.280	2	112.3780	6.280	2	114.4974	3.055	8	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5a]	3:3:4:4:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5a]-3:C[5,5]-4:C[5]-4:	C[5,5]-4:N[5,6]-3:N[5]-3:H-1:	C[5,5]-4:C[5a,6a]-3:C[5a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5,5]N[5,6]N[5]H)(C[5]C[5,6]HO)	C[5,5](C[5,5]C[5,6a]C[5a]C[5])(N[5,6]C[5,6]C[6])(N[5]C[5,6a]S)(H)	C[5a](C[5,5]C[5,6a]C[5,5]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5,5]N[5,6]N[5]H)(C[5]C[5,6]HO){1|N<3>,1|O<2>,1|S<4>,2|H<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]C[5a]C[5])(N[5,6]C[5,6]C[6])(N[5]C[5,6a]S)(H){1|C<4>,1|H<1>,1|O<1>,2|O<2>,5|C<3>}	C[5a](C[5,5]C[5,6a]C[5,5]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|O<2>,2|N<3>,3|H<1>,5|C<3>}	110.6060	0.000	1	110.6060	0.000	1	112.3780	6.280	2	112.3780	6.280	2	114.4974	3.055	8	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5a]	4:3:3:4:	4:3:3:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5a]-3:C[5]-4:	C[5,5]-4:N[5,6,6]-3:N[5]-3:H-1:	C[5,5]-4:C[5a,6a]-3:C[5a]-3:	C[5,5](C[5,5]N[5,6,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5,3x6]HO)	C[5,5](C[5,5]C[5,6a]C[5a]C[5])(N[5,6,6]C[5,3x6]C[6,6])(N[5]C[5,6a]H)(H)	C[5a](C[5,5]C[5,6a]C[5,5]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5,5](C[5,5]N[5,6,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5,3x6]HO){1|N<3>,1|S<2>,3|H<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]C[5a]C[5])(N[5,6,6]C[5,3x6]C[6,6])(N[5]C[5,6a]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,1|S<2>,5|C<3>}	C[5a](C[5,5]C[5,6a]C[5,5]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|O<2>,2|N<3>,4|C<3>,4|H<1>}	116.0030	0.482	2	116.0030	0.233	2	116.0030	0.233	2	116.0030	0.233	2	114.4974	3.055	8	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5a]	4:3:4:2:	4:3:4:2:	4:3:2:	C[5,5]-4:C[5a]-3:C[5]-4:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[5]-4:O-2:	C[5,5]-4:C[5a]-3:O[5a]-2:	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[5,5](C[5,5]C[5a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(OH)	C[5a](C[5,5]C[5,5]C[5]O[5])(C[5a]C[5a]H)(O[5a]C[5a])	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[5,5](C[5,5]C[5a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(OH){2|H<1>,2|O<2>,5|C<3>}	C[5a](C[5,5]C[5,5]C[5]O[5])(C[5a]C[5a]H)(O[5a]C[5a]){1|Br<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	114.7800	0.000	1	114.7800	0.000	1	114.7800	0.000	1	114.5333	0.047	3	114.4974	3.055	8	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5a]	4:3:4:2:	4:3:4:2:	4:3:2:	C[5,5]-4:C[5a]-3:C[5]-4:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[5]-4:O-2:	C[5,5]-4:C[5a]-3:S[5a]-2:	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[5,5](C[5,5]C[5a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(OH)	C[5a](C[5,5]C[5,5]C[5]O[5])(C[5a]C[5a]H)(S[5a]C[5a])	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[5,5](C[5,5]C[5a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(OH){1|O<2>,1|S<2>,2|H<1>,5|C<3>}	C[5a](C[5,5]C[5,5]C[5]O[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|Br<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	114.3700	0.000	1	114.4100	0.003	2	114.4100	0.003	2	114.5333	0.047	3	114.4974	3.055	8	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5a]	4:3:4:2:	4:3:4:2:	4:3:2:	C[5,5]-4:C[5a]-3:C[5]-4:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[5]-4:O-2:	C[5,5]-4:C[5a]-3:S[5a]-2:	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[5,5](C[5,5]C[5a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(OH)	C[5a](C[5,5]C[5,5]C[5]O[5])(C[5a]C[5a]H)(S[5a]C[5a])	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[5,5](C[5,5]C[5a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(OH){1|O<2>,1|S<2>,2|H<1>,5|C<3>}	C[5a](C[5,5]C[5,5]C[5]O[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	114.4500	0.000	1	114.4100	0.003	2	114.4100	0.003	2	114.5333	0.047	3	114.4974	3.055	8	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6,6]	C[5,6a]	4:3:3:2:	4:4:4:1:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:N[5,5]-3:O-2:	C[5,5]-4:C[5,3x6]-4:C[3x6]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(OH)	C[5,6,6](C[5,5]C[5,6a]N[5,5]O)(C[5,3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)	C[5,6a](C[5,5]C[5,6,6]N[5,5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(OH){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C[5,6,6](C[5,5]C[5,6a]N[5,5]O)(C[5,3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H){10|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,5]C[5,6,6]N[5,5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	123.3960	0.000	1	123.3960	0.000	1	123.3960	0.000	1	123.3960	0.000	1	120.6265	15.340	2	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6,6]	C[5,6a]	4:3:4:3:	3:4:4:1:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:C[5]-4:C[5]-3:	N[5,3x6]-3:C[5,5]-4:C[6,6]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6,6]N[5,3x6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]HH)(C[5]N[5]O)	C[5,6,6](N[5,3x6]C[5,6,6]C[6,6])(C[5,5]C[5,6a]C[5]2)(C[6,6]C[3x6]HH)(H)	C[5,6a](C[5,5]C[5,6,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6,6]N[5,3x6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]HH)(C[5]N[5]O){3|C<3>,3|C<4>,4|H<1>}	C[5,6,6](N[5,3x6]C[5,6,6]C[6,6])(C[5,5]C[5,6a]C[5]2)(C[6,6]C[3x6]HH)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	C[5,6a](C[5,5]C[5,6,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,5|H<1>}	117.8570	0.000	1	117.8570	0.000	1	117.8570	0.000	1	117.8570	0.000	1	120.6265	15.340	2	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	3:3:4:3:	4:4:3:4:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[5,6]-4:C[5]-3:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[5a]H)(C[6]C[6,6a]O)(C[6]O[6]HH)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]N[5,5]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O){1|C<4>,1|O<1>,1|O<2>,1|S<2>,5|C<3>,7|H<1>}	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[5a]H)(C[6]C[6,6a]O)(C[6]O[6]HH){1|H<1>,1|O<1>,2|C<4>,7|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]N[5,5]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>,4|C<4>}	120.8880	0.000	1	120.6715	0.094	2	120.6715	0.094	2	120.6715	0.094	2	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	3:3:4:3:	4:4:3:4:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[5,6]-4:C[5]-3:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[5a]H)(C[6]C[6,6a]O)(C[6]O[6]HH)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]N[5,5]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O){1|O<1>,1|O<2>,2|C<4>,5|C<3>,7|H<1>}	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[5a]H)(C[6]C[6,6a]O)(C[6]O[6]HH){1|H<1>,1|O<1>,2|C<4>,7|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]N[5,5]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>,4|C<4>}	120.4550	0.000	1	120.6715	0.094	2	120.6715	0.094	2	120.6715	0.094	2	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	3:3:4:3:	4:4:3:4:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5,6]-4:C[5]-3:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]N[5]O)	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[5a]H)(C[6]C[6,6a]O)(C[6]O[6]HH)	C[5,6a](C[5,5]C[5,6]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]N[5]O){1|O<1>,1|O<2>,3|C<4>,4|C<3>,7|H<1>}	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[5a]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[5,6a](C[5,5]C[5,6]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,5|C<4>}	121.0070	0.000	1	121.0070	0.000	1	119.5145	3.068	4	119.5145	3.068	4	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	3:3:4:3:	4:4:3:4:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5,6]-4:C[5]-3:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]N[5]O)	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[5,6a](C[5,5]C[5,6]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]N[5]O){1|O<1>,1|S<2>,2|C<4>,4|C<3>,8|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[5,6a](C[5,5]C[5,6]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	119.4730	2.233	2	119.4730	4.986	2	119.5145	3.068	4	119.5145	3.068	4	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	3:3:4:3:	4:4:3:4:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5,6]-4:C[5]-3:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]N[5]O)	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[5,6a](C[5,5]C[5,6]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]N[5]O){1|C<4>,1|O<1>,1|O<2>,1|S<2>,4|C<3>,8|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[5,6a](C[5,5]C[5,6]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	118.1050	0.000	1	118.1050	0.000	1	119.5145	3.068	4	119.5145	3.068	4	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	3:3:4:3:	4:4:4:3:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[5,6]-4:C[5]-3:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)	C[5,6](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[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]N[5,5]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O){1|C<4>,1|N<3>,1|O<1>,1|S<2>,5|C<3>,7|H<1>}	C[5,6](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[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]N[5,5]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>,4|C<4>}	116.6894	0.672	8	116.6894	0.451	8	116.6894	0.451	8	117.3535	1.726	13	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	3:3:4:3:	4:4:4:3:	3:4:3:	C[5,6a]-3:N[5,6]-3:C[5,6]-4:C[5]-3:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)	C[5,6](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[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]N[5,6]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O){1|N<3>,1|O<1>,2|C<4>,5|C<3>,7|H<1>}	C[5,6](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[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]N[5,6]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>,4|C<4>}	118.4160	1.447	5	118.4160	2.095	5	118.4160	2.095	5	117.3535	1.726	13	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	3:3:4:3:	4:4:4:3:	4:3:2:	C[5,6a]-3:C[5,6a]-3:C[5,6]-4:N[5]-3:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6]2)(N[5]C[5]C)	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[5,6a](C[5,5]C[5,6a]C[5,6]N[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6]2)(N[5]C[5]C){1|C<4>,1|N<2>,1|N<3>,1|O<1>,4|C<3>,6|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[5,6a](C[5,5]C[5,6a]C[5,6]N[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){4|C<4>,5|C<3>}	114.2955	1.044	2	114.2955	1.091	2	114.2955	1.091	2	114.2955	1.091	2	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	3:3:4:3:	4:4:4:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,6]-4:N[5]-3:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6]2)(N[5]C[5]C)	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[5,6a](C[5,5]C[5,6a]C[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6]2)(N[5]C[5]C){1|C<4>,1|N<2>,1|N<3>,1|O<1>,4|C<3>,6|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[5,6a](C[5,5]C[5,6a]C[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<2>,4|C<4>}	116.6320	0.240	2	116.6320	0.058	2	116.6320	0.058	2	116.8472	2.150	6	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	3:3:4:3:	4:4:4:3:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5,6]-4:C[5]-3:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]N[5]O)	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[5,6a](C[5,5]C[5,6]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]N[5]O){1|O<1>,1|O<2>,2|C<4>,4|C<3>,8|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[5,6a](C[5,5]C[5,6]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	117.9470	0.000	1	117.9470	0.000	1	116.9548	3.518	4	116.8472	2.150	6	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	3:3:4:3:	4:4:4:3:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5,6]-4:C[5]-3:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]N[5]O)	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[5,6a](C[5,5]C[5,6]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]N[5]O){1|O<1>,1|S<2>,2|C<4>,5|C<3>,7|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[5,6a](C[5,5]C[5,6]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	114.1420	0.000	1	114.1420	0.000	1	116.9548	3.518	4	116.8472	2.150	6	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	3:3:4:3:	4:4:4:3:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5,6]-4:C[5]-3:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]N[5]O)	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[5,6a](C[5,5]C[5,6]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,4|C<3>,8|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[5,6a](C[5,5]C[5,6]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	117.8650	0.010	2	117.8650	0.000	2	116.9548	3.518	4	116.8472	2.150	6	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	3:4:3:2:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5]-3:O[5]-2:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(O[5]C[5])	C[5,6](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5]C[6]H)(C[6]C[6]O)(H)	C[5,6a](C[5,5]C[5,6]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(O[5]C[5]){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	C[5,6](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5]C[6]H)(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,6]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	116.6890	0.000	1	116.6890	0.000	1	116.6890	0.000	1	116.6890	0.000	1	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	3:4:3:3:	4:3:3:4:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[6,6a]-3:C[6,6a]-3:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]2C[5])(C[5]N[5]O)(N[5]C[5]C)	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[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]2C[5])(C[5]N[5]O)(N[5]C[5]C){6|C<3>,6|H<1>}	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[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	116.5905	0.767	2	116.5905	0.589	2	116.5905	0.589	2	116.5905	0.589	2	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	3:4:3:3:	4:3:4:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:N[5,5]-3:C[5]-3:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[6,6a]C[5,6]H)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)	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[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]N[5,5]C[5])(C[6a]C[6a]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){1|N<3>,1|S<2>,2|C<4>,4|H<1>,5|C<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){1|O<1>,1|O<2>,2|C<4>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]N[5,5]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	110.6570	0.000	1	111.9495	3.341	2	111.9495	3.341	2	112.3373	2.122	3	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	3:4:3:3:	4:3:4:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:N[5,5]-3:C[5]-3:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[6,6a]C[5,6]H)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)	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[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]N[5,5]C[5])(C[6a]C[6a]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){1|N<3>,1|S<2>,2|C<4>,4|H<1>,5|C<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){1|O<1>,1|O<2>,3|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]N[5,5]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	113.2420	0.000	1	111.9495	3.341	2	111.9495	3.341	2	112.3373	2.122	3	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	3:4:3:3:	4:3:4:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:N[5,6]-3:C[5]-3:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[6,6a]C[5,6]H)(N[5,6]C[5,6]C[6])(C[5]C[5,6a]O)	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[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]N[5,6]C[5])(C[6a]C[6a]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){1|N<3>,3|C<4>,4|H<1>,5|C<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){1|O<1>,1|O<2>,2|C<4>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]N[5,6]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	113.1130	0.000	1	113.1130	0.000	1	113.1130	0.000	1	112.3373	2.122	3	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	3:4:3:3:	4:3:4:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5]-3:C[5]-3:	C[5,5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]H)(C[5]N[5]C)	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[6]N[5])(C[6]O[6]HH)(H)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]H)(C[5]N[5]C){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[6]N[5])(C[6]O[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,3|C<4>,4|H<1>}	117.3960	0.000	1	117.3960	0.000	1	117.3960	0.000	1	117.3960	0.000	1	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	3:4:3:3:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:N[5,5]-3:C[5]-3:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(N[5,5]C[5,5]C[5])(C[5]N[5]O)	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6]C[5,5]C[5,6]H)(C[6]O[6]O)(H)	C[5,6a](C[5,5]C[5,6]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(N[5,5]C[5,5]C[5])(C[5]N[5]O){1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6]C[5,5]C[5,6]H)(C[6]O[6]O)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,5]C[5,6]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	117.2870	0.000	1	117.2870	0.000	1	117.2870	0.000	1	117.2870	0.000	1	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	3:4:3:3:	4:4:3:4:	3:4:3:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)(N[5]C[5]C)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]C[5]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)(N[5]C[5]C){1|C<4>,1|O<1>,5|C<3>,6|H<1>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH){1|C<4>,1|O<1>,1|O<2>,4|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]C[5]N[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>,4|C<4>}	118.0770	0.000	1	118.0770	0.000	1	116.5994	2.937	5	116.0567	4.117	6	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	3:4:3:3:	4:4:3:4:	3:4:3:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)(N[5]C[5]C)	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[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]C[5]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)(N[5]C[5]C){1|C<4>,1|O<1>,5|C<3>,6|H<1>}	C[5,6](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[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]C[5]N[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>,4|C<4>}	118.6590	0.000	1	118.6590	0.000	1	116.5994	2.937	5	116.0567	4.117	6	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	3:4:3:3:	4:4:3:4:	3:4:3:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)(N[5]C[5]C)	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[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]C[5]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)(N[5]C[5]C){1|C<4>,1|O<1>,5|C<3>,6|H<1>}	C[5,6](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[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]C[5]N[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>,4|C<4>}	115.6680	0.000	1	115.6680	0.000	1	116.5994	2.937	5	116.0567	4.117	6	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	3:4:3:3:	4:4:3:4:	3:4:3:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)(N[5]C[5]C)	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[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]C[5]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)(N[5]C[5]C){1|O<1>,1|O<2>,5|C<3>,6|H<1>}	C[5,6](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[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]C[5]N[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>,4|C<4>}	115.2965	1.029	2	115.2965	1.059	2	116.5994	2.937	5	116.0567	4.117	6	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	3:4:3:3:	4:4:3:4:	3:4:3:	C[5,6a]-3:C[5,6]-4:N[5]-3:C[5]-3:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(C[5]C[5,6a]O)	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[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]C[5]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(C[5]C[5,6a]O){1|C<4>,1|O<1>,6|H<1>,7|C<3>}	C[5,6](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[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]C[5]N[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,3|C<4>,5|C<3>}	113.3430	0.000	1	113.3430	0.000	1	113.3430	0.000	1	116.0567	4.117	6	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	3:4:3:3:	4:4:3:4:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C)	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[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,3|C<3>,6|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[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	120.0360	0.000	1	119.6047	0.726	3	119.0404	1.030	11	119.0404	1.030	11	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	3:4:3:3:	4:4:3:4:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C)	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[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,3|C<3>,7|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[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	119.3890	1.083	2	119.6047	0.726	3	119.0404	1.030	11	119.0404	1.030	11	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	3:4:3:3:	4:4:3:4:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C)	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[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|O<1>,4|C<3>,7|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[6,6a]O)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,4|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	119.3193	0.810	3	119.2367	0.693	6	119.0404	1.030	11	119.0404	1.030	11	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	3:4:3:3:	4:4:3:4:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C)	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[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C){1|O<1>,2|C<4>,4|C<3>,6|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[6,6a]O)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,4|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,5|C<4>}	119.1540	1.027	3	119.2367	0.693	6	119.0404	1.030	11	119.0404	1.030	11	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	3:4:3:3:	4:4:3:4:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C)	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[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C){1|O<1>,1|O<2>,4|C<3>,7|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[6,6a]O)(C[6]O[6]HH){1|C<4>,1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	117.8060	0.000	1	117.8060	0.000	1	119.0404	1.030	11	119.0404	1.030	11	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	3:4:3:3:	4:4:3:4:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]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[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]H){1|N<3>,1|O<1>,5|C<3>,6|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[6,6a]O)(C[6]N[6]HH){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	117.4040	0.000	1	117.4040	0.000	1	119.0404	1.030	11	119.0404	1.030	11	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	3:4:3:3:	4:4:4:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(N[5]S[5]H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(H)	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(N[5]S[5]H){1|C<4>,2|O<1>,4|C<3>,5|H<1>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(H){1|O<1>,1|S<4>,5|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,3|O<1>,4|H<1>}	115.6950	0.000	1	115.6950	0.000	1	115.6950	0.000	1	115.6950	0.000	1	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	3:4:3:3:	4:4:4:3:	3:4:3:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)(N[5]C[5]C)	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[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]C[5]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)(N[5]C[5]C){1|C<4>,1|O<1>,5|C<3>,6|H<1>}	C[5,6](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[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]C[5]N[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>,4|C<4>}	115.2610	4.202	2	115.2610	17.654	2	116.5009	7.606	7	116.5009	7.606	7	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	3:4:3:3:	4:4:4:3:	3:4:3:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)(N[5]C[5]C)	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[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]C[5]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)(N[5]C[5]C){1|C<4>,1|O<1>,5|C<3>,6|H<1>}	C[5,6](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[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]C[5]N[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>,4|C<4>}	119.3390	0.000	1	119.3390	0.000	1	116.5009	7.606	7	116.5009	7.606	7	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	3:4:3:3:	4:4:4:3:	3:4:3:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)(N[5]C[5]C)	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[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]C[5]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)(N[5]C[5]C){1|N<3>,1|O<1>,5|C<3>,6|H<1>}	C[5,6](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[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]C[5]N[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>,4|C<4>}	117.0637	2.420	3	117.0637	5.856	3	116.5009	7.606	7	116.5009	7.606	7	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	3:4:3:3:	4:4:4:3:	3:4:3:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)(N[5]C[5]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[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]C[5]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)(N[5]C[5]H){1|N<3>,1|O<1>,5|H<1>,6|C<3>}	C[5,6](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[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]C[5]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	114.4540	0.000	1	114.4540	0.000	1	116.5009	7.606	7	116.5009	7.606	7	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	3:4:3:3:	4:4:4:3:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C)	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[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|O<1>,4|C<3>,7|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]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[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	113.4560	0.000	1	113.4560	0.000	1	118.0327	2.055	20	118.0327	2.055	20	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	3:4:3:3:	4:4:4:3:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C)	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[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C){1|O<1>,1|O<2>,4|C<3>,7|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[6,6a]HH)(C[6]O[6]O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	118.0433	0.499	4	118.0433	0.249	4	118.0327	2.055	20	118.0327	2.055	20	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	3:4:3:3:	4:4:4:3:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C)	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[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|O<1>,4|C<3>,7|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[6]HH)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,4|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	119.6155	0.960	2	119.6155	0.921	2	118.0327	2.055	20	118.0327	2.055	20	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	3:4:3:3:	4:4:4:3:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C)	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[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,3|C<3>,7|H<1>}	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[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	117.3610	0.000	1	118.2008	0.969	12	118.0327	2.055	20	118.0327	2.055	20	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	3:4:3:3:	4:4:4:3:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C)	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[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C){1|N<3>,1|O<1>,4|C<3>,7|H<1>}	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[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>,4|C<4>}	118.8065	0.194	4	118.2008	0.969	12	118.0327	2.055	20	118.0327	2.055	20	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	3:4:3:3:	4:4:4:3:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C)	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[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C){1|N<3>,1|O<1>,4|C<3>,7|H<1>}	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[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,1|O<1>,2|C<3>,2|H<1>,4|C<4>}	119.1760	0.000	1	118.2008	0.969	12	118.0327	2.055	20	118.0327	2.055	20	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	3:4:3:3:	4:4:4:3:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C)	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[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C){1|N<3>,1|O<1>,4|C<3>,7|H<1>}	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[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,5|C<4>}	118.4180	0.195	2	118.2008	0.969	12	118.0327	2.055	20	118.0327	2.055	20	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	3:4:3:3:	4:4:4:3:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C)	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[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C){1|N<3>,1|O<1>,4|C<3>,7|H<1>}	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[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	117.4525	1.298	4	118.2008	0.969	12	118.0327	2.055	20	118.0327	2.055	20	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	3:4:3:3:	4:4:4:3:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]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[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]H){1|N<3>,1|O<1>,5|C<3>,6|H<1>}	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[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	117.3850	0.000	1	117.3850	0.000	1	118.0327	2.055	20	118.0327	2.055	20	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	3:4:4:1:	4:4:2:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:C[5,6]-4:O[6]-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(C[5,5]C[5]N[5]H)(H)	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[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(C[5,5]C[5]N[5]H)(H){2|C<4>,3|C<3>,4|H<1>}	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[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|I<1>,1|O<2>,2|C<4>,4|H<1>}	115.9160	0.000	1	115.9160	0.000	1	115.9160	0.000	1	115.9160	0.000	1	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	3:4:4:1:	4:4:4:2:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]O)(C[5,5]C[5]N[5]H)(H)	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(OC)	C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]O)(C[5,5]C[5]N[5]H)(H){2|C<4>,3|C<3>,6|H<1>}	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(OC){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	120.1090	0.000	1	120.1090	0.000	1	120.1090	0.000	1	120.1090	0.000	1	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	3:4:4:2:	4:3:4:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5,6]-4:O-2:	C[5,5]-4:C[5,6]-3:C[6]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]O)(C[5,6]C[5,6]C[6]H)(OH)	C[5,6](C[5,5]C[5,6a]C[5,5]O)(C[5,6]C[5,6]O)(C[6]N[6]HH)(H)	C[5,6a](C[5,5]C[5,5]C[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]O)(C[5,6]C[5,6]C[6]H)(OH){1|C<4>,1|N<3>,2|C<3>,2|O<1>,4|H<1>}	C[5,6](C[5,5]C[5,6a]C[5,5]O)(C[5,6]C[5,6]O)(C[6]N[6]HH)(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	114.9290	0.000	2	114.9290	0.000	2	114.9290	0.000	2	114.9290	0.000	2	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	3:4:4:2:	4:4:4:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5,5]-4:O-2:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,5]C[5]N[5]O)(OH)	C[5,6](C[5,5]C[5,6a]C[5,5]O)(C[5,6]C[5]C[6]H)(C[6]C[6]HN)(H)	C[5,6a](C[5,5]C[5,5]C[5,6]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,5]C[5]N[5]O)(OH){1|N<3>,2|C<3>,4|C<4>,4|H<1>}	C[5,6](C[5,5]C[5,6a]C[5,5]O)(C[5,6]C[5]C[6]H)(C[6]C[6]HN)(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>,4|C<4>}	C[5,6a](C[5,5]C[5,5]C[5,6]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	121.6240	0.000	1	121.6240	0.000	1	121.6240	0.000	1	121.6240	0.000	1	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	3:4:4:2:	4:4:4:4:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5]-4:O[5]-2:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O[5]C[5])	C[5,6](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[5,6a](C[5,5]C[5,6]C[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O[5]C[5]){2|C<3>,2|C<4>,8|H<1>}	C[5,6](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,7|H<1>}	C[5,6a](C[5,5]C[5,6]C[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,1|N<3>,4|H<1>,5|C<4>}	113.2600	0.000	1	113.2600	0.000	1	113.2600	0.000	1	113.2600	0.000	1	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	3:4:4:3:	4:2:4:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5]-4:C[5]-3:	C[5,5]-4:N[5,6]-2:C[6]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[5]N[5]O)	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,6])(C[6]C[6]HH)(H)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[5]N[5]O){2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,6])(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<1>,2|C<4>,6|H<1>}	115.1490	0.000	1	115.1490	0.000	1	115.1490	0.000	1	115.1490	0.000	1	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	3:4:4:3:	4:3:2:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5]-4:C[5]-3:	C[5,5]-4:N[5,6]-3:O[6]-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]O[6]H)(C[5]C[5]CH)(C[5]N[5]O)	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[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]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>}	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[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	114.4630	0.000	1	114.4630	0.000	1	114.4630	0.000	1	114.4630	0.000	1	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	3:4:4:3:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5]-4:C[5]-3:	C[5,5]-4:N[5,6]-3:C[6]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]CH)(C[5]N[5]O)	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(C[6]C[6]Br)(H)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]CH)(C[5]N[5]O){1|Br<1>,3|H<1>,5|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(C[6]C[6]Br)(H){1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	115.5925	0.540	2	115.5925	0.291	2	114.2282	1.284	6	114.2282	1.284	6	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	3:4:4:3:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5]-4:C[5]-3:	C[5,5]-4:N[5,6]-3:C[6]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]CH)(C[5]N[5]O)	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[6,6a]C[5])(C[6]C[6]H)(H)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]CH)(C[5]N[5]O){4|H<1>,5|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[6,6a]C[5])(C[6]C[6]H)(H){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	113.6553	0.447	3	113.6553	0.200	3	114.2282	1.284	6	114.2282	1.284	6	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	3:4:4:3:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5]-4:C[5]-3:	C[5,5]-4:N[5,6]-3:C[6]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(C[5]N[5]O)	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(C[6]C[6]H)(H)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(C[5]N[5]O){4|H<1>,5|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(C[6]C[6]H)(H){1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,6|H<1>}	113.2180	0.000	1	113.2180	0.000	1	114.2282	1.284	6	114.2282	1.284	6	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	3:4:4:3:	4:3:4:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5]-4:C[5]-3:	C[5,5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[5]N[5]O)	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,6]C)(C[6]C[6]HH)(H)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[5]N[5]O){3|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,6]C)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,5|H<1>}	114.8970	0.000	1	114.8970	0.000	1	115.4382	1.487	6	115.4382	1.487	6	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	3:4:4:3:	4:3:4:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5]-4:C[5]-3:	C[5,5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(C[5]N[5]O)	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(C[6]C[6,6]HH)(H)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,3|C<3>,6|H<1>}	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(C[6]C[6,6]HH)(H){1|C<4>,1|N<3>,2|O<1>,3|C<3>,5|H<1>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,6|H<1>}	113.7920	0.000	1	115.5464	1.770	5	115.4382	1.487	6	115.4382	1.487	6	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	3:4:4:3:	4:3:4:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5]-4:C[5]-3:	C[5,5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(C[5]N[5]O)	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(C[6]C[6,6]HH)(H)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(C[5]N[5]O){2|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(C[6]C[6,6]HH)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,7|H<1>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,6|H<1>}	115.9850	1.038	4	115.5464	1.770	5	115.4382	1.487	6	115.4382	1.487	6	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	3:4:4:4:	4:3:4:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5]-4:C[5]-4:	C[5,5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(C[5]N[5]HH)	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(C[6]C[6]HH)(H)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(C[5]N[5]HH){1|S<4>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,7|H<1>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|S<4>,2|C<4>,7|H<1>}	113.3950	0.000	1	113.3950	0.000	1	113.3950	0.000	1	113.3950	0.000	1	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	4:3:2:3:	4:3:4:1:	4:3:3:	C[5,6]-4:C[5,6a]-3:O[5]-2:C[5]-3:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-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)	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[5,6a](C[5,5]C[5,6]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]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){1|C<4>,1|O<2>,3|H<1>,5|C<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){1|H<1>,1|N<3>,1|O<1>,1|O<2>,5|C<3>}	C[5,6a](C[5,5]C[5,6]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	119.1430	0.000	1	118.0265	2.493	2	118.0265	2.493	2	118.0265	2.493	2	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	4:3:2:3:	4:3:4:1:	4:3:3:	C[5,6]-4:C[5,6a]-3:O[5]-2:C[5]-3:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-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)	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[5,6a](C[5,5]C[5,6]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]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){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	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[5,6a](C[5,5]C[5,6]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	116.9100	0.000	1	118.0265	2.493	2	118.0265	2.493	2	118.0265	2.493	2	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	4:3:3:1:	4:4:4:1:	4:3:3:	C[5,6]-4:C[5,6a]-3:C[5,5]-3:H-1:	C[5,5]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6]C[5,6,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5])(H)	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6,6]C[5,6]C[6]2)(C[6]C[6]HH)(H)	C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6]C[5,6,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5])(H){1|S<4>,2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6,6]C[5,6]C[6]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	123.4020	0.000	1	123.4020	0.000	1	123.4020	0.000	1	123.4020	0.000	1	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	4:3:3:2:	4:3:4:1:	4:3:3:	C[5,6]-4:C[5,6a]-3:C[5]-3:O[5]-2:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-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])	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[5,6a](C[5,5]C[5,6]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]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]){1|C<4>,1|O<1>,2|H<1>,5|C<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){1|H<1>,1|N<3>,1|O<2>,3|O<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	116.1580	0.000	1	116.1580	0.000	1	116.1580	0.000	1	116.1580	0.000	1	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	4:3:3:3:	3:4:3:1:	4:3:3:	C[5,6]-4:C[5,6a]-3:C[5]-3:C[5]-3:	C[6,6a]-3:C[5,5]-4:N[5,6]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-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)	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[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]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){1|C<4>,2|H<1>,5|C<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){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	118.7550	0.091	2	118.7550	0.008	2	119.2953	0.880	3	119.2953	0.880	3	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	4:3:3:3:	3:4:3:1:	4:3:3:	C[5,6]-4:C[5,6a]-3:C[5]-3:C[5]-3:	C[6,6a]-3:C[5,5]-4:N[5,6]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-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)	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[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]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){1|C<4>,1|H<1>,5|C<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){1|H<1>,1|N<3>,1|O<1>,7|C<3>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	120.3760	0.000	1	120.3760	0.000	1	119.2953	0.880	3	119.2953	0.880	3	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	4:3:3:3:	3:4:3:3:	4:3:3:	C[5,6]-4:C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[6,6a]-3:C[5,5]-4:N[5,6]-3:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-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)	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[5,6a](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	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[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[5,6a](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,2|N<3>,7|C<3>}	111.6760	0.000	1	113.0865	3.979	2	113.0865	3.979	2	113.0865	3.979	2	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	4:3:3:3:	3:4:3:3:	4:3:3:	C[5,6]-4:C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[6,6a]-3:C[5,5]-4:N[5,6]-3:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-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)	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[5,6a](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	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[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[5,6a](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,7|C<3>}	114.4970	0.000	1	113.0865	3.979	2	113.0865	3.979	2	113.0865	3.979	2	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	4:3:3:3:	4:3:4:1:	4:3:2:	C[5,6]-4:C[5,6a]-3:C[5,6a]-3:N[5,5]-3:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	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[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[5,6a](C[5,5]C[5,6a]C[5,6]N[5,5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	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[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[5,6a](C[5,5]C[5,6a]C[5,6]N[5,5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,3|C<4>,5|C<3>}	114.8350	0.000	1	114.8645	0.002	2	114.8645	0.002	2	114.8645	0.002	2	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	4:3:3:3:	4:3:4:1:	4:3:2:	C[5,6]-4:C[5,6a]-3:C[5,6a]-3:N[5,5]-3:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	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[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[5,6a](C[5,5]C[5,6a]C[5,6]N[5,5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	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[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[5,6a](C[5,5]C[5,6a]C[5,6]N[5,5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,3|C<4>,5|C<3>}	114.8940	0.000	1	114.8645	0.002	2	114.8645	0.002	2	114.8645	0.002	2	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	4:3:3:3:	4:3:4:1:	4:3:3:	C[5,6]-4:C[5,6a]-3:C[5,6a]-3:N[5,5]-3:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-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])	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[5,6a](C[5,5]C[5,6a]C[5,6]N[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]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]){1|N<2>,1|N<3>,1|S<2>,2|C<4>,4|H<1>,5|C<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){1|N<2>,1|O<2>,2|C<4>,3|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,6]N[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|C<3>,2|N<2>,3|C<4>,3|H<1>}	112.3200	0.000	1	113.2715	1.811	2	113.2715	1.811	2	115.4108	4.818	11	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	4:3:3:3:	4:3:4:1:	4:3:3:	C[5,6]-4:C[5,6a]-3:C[5,6a]-3:N[5,5]-3:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-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])	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[5,6a](C[5,5]C[5,6a]C[5,6]N[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]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]){1|N<2>,1|N<3>,3|C<4>,4|H<1>,5|C<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){1|N<2>,1|O<2>,3|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,6]N[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|C<3>,2|N<2>,3|C<4>,3|H<1>}	114.2230	0.000	1	113.2715	1.811	2	113.2715	1.811	2	115.4108	4.818	11	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	4:3:3:3:	4:3:4:1:	4:3:3:	C[5,6]-4:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-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)	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[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]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){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	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[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	114.4460	0.000	1	114.4460	0.000	1	116.6997	7.945	4	115.4108	4.818	11	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	4:3:3:3:	4:3:4:1:	4:3:3:	C[5,6]-4:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-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)	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[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]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){1|H<1>,1|N<3>,1|S<1>,2|C<4>,4|C<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){1|N<3>,1|O<1>,1|O<2>,1|S<1>,3|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	117.4005	4.129	2	117.4510	8.531	3	116.6997	7.945	4	115.4108	4.818	11	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	4:3:3:3:	4:3:4:1:	4:3:3:	C[5,6]-4:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-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)	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[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]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){1|N<3>,2|C<4>,2|H<1>,5|C<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){1|N<3>,1|O<1>,1|O<2>,5|C<3>,5|H<1>}	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	117.5520	0.000	1	117.4510	8.531	3	116.6997	7.945	4	115.4108	4.818	11	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	4:3:3:3:	4:3:4:1:	4:3:3:	C[5,6]-4:C[5,6a]-3:N[5,5]-3:C[5]-3:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-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)	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[5,6a](C[5,5]C[5,6]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]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){1|C<4>,1|S<2>,5|C<3>,6|H<1>}	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[5,6a](C[5,5]C[5,6]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	113.2810	0.000	1	114.5630	3.287	2	114.5630	3.287	2	115.4108	4.818	11	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	4:3:3:3:	4:3:4:1:	4:3:3:	C[5,6]-4:C[5,6a]-3:N[5,5]-3:C[5]-3:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-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)	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[5,6a](C[5,5]C[5,6]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]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){1|C<4>,1|S<2>,5|C<3>,6|H<1>}	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[5,6a](C[5,5]C[5,6]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	115.8450	0.000	1	114.5630	3.287	2	114.5630	3.287	2	115.4108	4.818	11	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	4:3:3:3:	4:3:4:1:	4:3:3:	C[5,6]-4:C[5,6a]-3:N[5,6]-3:C[5]-3:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-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)	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[5,6a](C[5,5]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]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){1|N<3>,3|C<4>,4|C<3>,5|H<1>}	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[5,6a](C[5,5]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	115.2195	0.702	2	115.2195	0.493	2	115.2195	0.493	2	115.4108	4.818	11	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	4:3:3:3:	4:3:4:1:	4:3:3:	C[5,6]-4:C[5,6a]-3:N[5]-3:C[5]-3:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-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)	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[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]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){1|C<4>,1|O<2>,3|H<1>,5|C<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){1|H<1>,1|N<3>,1|O<1>,1|O<2>,6|C<3>}	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	116.6120	0.000	1	116.6120	0.000	1	116.6120	0.000	1	115.4108	4.818	11	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	4:3:3:4:	4:3:3:2:	4:3:3:	C[5,6]-4:C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5,5]-4:N[5,6]-3:C[6a]-3:O[6]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-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)	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[5,6a](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	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[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[5,6a](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,7|C<3>}	110.0385	2.493	2	110.0385	6.213	2	110.0385	6.213	2	110.0385	6.213	2	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	4:3:4:1:	4:2:3:4:	4:3:3:	C[5,6]-4:C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:O[5,6]-2:C[6a]-3:C[6]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[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[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	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[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[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	115.4170	0.000	1	115.4170	0.000	1	115.4170	0.000	1	115.4170	0.000	1	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	4:3:4:1:	4:3:2:1:	4:3:3:	C[5,6]-4:C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5a,6]-3:O[5,6]-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6]C[5a,6]O[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5]H)(H)	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5a,6]C[5a,6]C[5a])(O[5,6]C[5,6])(H)	C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6]C[5a,6]O[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5]H)(H){1|H<1>,2|C<4>,5|C<3>}	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5a,6]C[5a,6]C[5a])(O[5,6]C[5,6])(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	112.8610	0.434	2	112.8610	0.188	2	112.8610	0.188	2	112.8610	0.188	2	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	4:3:4:1:	4:3:4:3:	4:3:3:	C[5,6]-4:C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:C[6,6a]-3:C[5]-4:C[6]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[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[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[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[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	117.6655	0.316	2	117.6655	0.100	2	117.6655	0.100	2	117.6655	0.100	2	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	4:3:4:2:	4:3:4:1:	3:4:3:	C[3x5]-4:C[5,6a]-3:C[5,6]-4:O-2:	C[5,5]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-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)	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[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[3x5]C[5,6]O)(C[6a]C[6a]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){1|N<2>,3|C<4>,3|H<1>,5|C<3>}	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[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[3x5]C[5,6]O)(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	114.5180	0.000	1	114.5180	0.000	1	114.5180	0.000	1	114.5180	0.000	1	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	4:3:4:2:	4:3:4:1:	4:3:3:	C[3x5]-4:C[5,6a]-3:C[5,6]-4:O-2:	C[5,5]-4:C[5,6]-3:C[6]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[3x5]C[5,5,6]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(OH)	C[5,6](C[5,5]C[5,6a]C[3x5]O)(C[5,6]C[5,5,6]O)(C[6]N[6]HH)(H)	C[5,6a](C[5,5]C[3x5]C[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[3x5]C[5,5,6]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(OH){1|N<3>,2|C<3>,2|O<1>,3|H<1>,4|C<4>}	C[5,6](C[5,5]C[5,6a]C[3x5]O)(C[5,6]C[5,5,6]O)(C[6]N[6]HH)(H){1|N<3>,3|C<3>,3|C<4>}	C[5,6a](C[5,5]C[3x5]C[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	116.4625	1.356	2	116.4625	1.837	2	115.7702	2.326	5	115.7702	2.326	5	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	4:3:4:2:	4:3:4:1:	4:3:3:	C[3x5]-4:C[5,6a]-3:C[5,6]-4:O-2:	C[5,5]-4:C[5,6]-3:C[6]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[3x5]C[5,5,6]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(OH)	C[5,6](C[5,5]C[5,6a]C[3x5]O)(C[5,6]C[5,5,6]O)(C[6]N[6]HH)(H)	C[5,6a](C[5,5]C[3x5]C[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[3x5]C[5,5,6]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(OH){1|N<3>,2|C<3>,2|O<1>,3|H<1>,4|C<4>}	C[5,6](C[5,5]C[5,6a]C[3x5]O)(C[5,6]C[5,5,6]O)(C[6]N[6]HH)(H){1|N<3>,3|C<3>,3|C<4>}	C[5,6a](C[5,5]C[3x5]C[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	115.3087	1.713	3	115.3087	2.934	3	115.7702	2.326	5	115.7702	2.326	5	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	4:3:4:3:	3:4:3:1:	4:3:3:	C[5,6]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[6,6a]-3:C[5,5]-4:N[5,6]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-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)	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[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]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){1|C<4>,1|H<1>,7|C<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){1|C<4>,1|N<3>,1|O<1>,4|H<1>,7|C<3>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	113.4350	0.000	1	113.4350	0.000	1	115.4952	2.057	5	115.4952	2.057	5	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	4:3:4:3:	3:4:3:1:	4:3:3:	C[5,6]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[6,6a]-3:C[5,5]-4:N[5,6]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-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)	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[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]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){3|H<1>,6|C<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){1|N<3>,1|O<1>,4|H<1>,7|C<3>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|F<1>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	115.3350	0.000	2	115.3350	0.000	2	115.4952	2.057	5	115.4952	2.057	5	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	4:3:4:3:	3:4:3:1:	4:3:3:	C[5,6]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[6,6a]-3:C[5,5]-4:N[5,6]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-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)	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[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]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){1|C<2>,1|C<4>,3|H<1>,6|C<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){1|C<2>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	117.4260	0.000	1	116.6855	1.097	2	115.4952	2.057	5	115.4952	2.057	5	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	4:3:4:3:	3:4:3:1:	4:3:3:	C[5,6]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[6,6a]-3:C[5,5]-4:N[5,6]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-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)	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[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]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){1|C<4>,3|H<1>,7|C<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){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	115.9450	0.000	1	116.6855	1.097	2	115.4952	2.057	5	115.4952	2.057	5	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	4:3:4:3:	3:4:4:1:	4:3:3:	C[5,6]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[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[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]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){2|C<4>,2|H<1>,4|C<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){1|N<3>,1|O<1>,5|C<3>,5|H<1>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	119.2990	0.000	1	119.2990	0.000	1	119.2990	0.000	1	119.2990	0.000	1	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	4:3:4:3:	4:3:3:1:	4:3:3:	C[5,6]-4:C[5,6a]-3:C[5,5]-4:N-3:	C[5,5]-4:C[6,6a]-3:N[5,6]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[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[5,6a](C[5,5]C[5,5]C[5,6]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]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){1|C<4>,1|H<1>,1|S<4>,5|C<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){1|C<4>,1|N<3>,1|S<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,5]C[5,6]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|N<3>,3|C<3>,4|H<1>}	118.4130	0.000	1	118.4130	0.000	1	118.4130	0.000	1	115.8910	12.721	2	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5,6]	C[5,6a]	4:3:4:3:	4:3:3:1:	4:3:3:	C[5,6]-4:C[5,6a]-3:C[5]-4:N[5]-3:	C[5,5]-4:C[6,6a]-3:N[5,6]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-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]HH)(N[5]C[5]C)	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[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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){1|C<4>,1|H<1>,2|O<1>,4|C<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){1|O<1>,2|C<4>,5|C<3>,5|H<1>}	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	113.3690	0.000	1	113.3690	0.000	1	113.3690	0.000	1	115.8910	12.721	2	116.6183	6.235	144	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,5a]	3:3:3:4:	4:3:1:1:	4:3:3:	C[5,5a]-3:C[5,5a]-3:C[5,6a]-3:C[5]-4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5,5a]-3:C[5a]-3:	C[5,5](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)	C[5](C[5,5]C[5,5a]2C[5,6a])(N[5]C[5,6a]S)(H)2	C[5,5a](C[5,5]C[5,5a]C[5,6a]C[5])(C[5,5a]C[5,5a]C[5a])(C[5a]N[5a]C)	C[5,5](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH){1|H<1>,1|N<3>,1|S<4>,7|C<3>}	C[5](C[5,5]C[5,5a]2C[5,6a])(N[5]C[5,6a]S)(H)2{1|N<3>,5|C<3>}	C[5,5a](C[5,5]C[5,5a]C[5,6a]C[5])(C[5,5a]C[5,5a]C[5a])(C[5a]N[5a]C){2|N<3>,3|C<3>,4|H<1>}	114.1370	0.000	2	114.1370	0.000	2	114.1370	0.000	2	114.8130	0.609	4	117.6264	19.108	14	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,5a]	3:3:3:4:	4:3:1:1:	4:3:3:	C[5,5a]-3:C[5,5a]-3:C[5,6a]-3:C[5]-4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5,5a]-3:N[5a]-3:	C[5,5](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)	C[5](C[5,5]C[5,5a]2C[5,6a])(N[5]C[5,6a]S)(H)2	C[5,5a](C[5,5]C[5,5a]C[5,6a]C[5])(C[5,5a]C[5a,6a]C[5,5a])(N[5a]C[5a,6a]C)	C[5,5](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH){1|H<1>,1|N<3>,1|S<4>,7|C<3>}	C[5](C[5,5]C[5,5a]2C[5,6a])(N[5]C[5,6a]S)(H)2{1|N<3>,5|C<3>}	C[5,5a](C[5,5]C[5,5a]C[5,6a]C[5])(C[5,5a]C[5a,6a]C[5,5a])(N[5a]C[5a,6a]C){1|N<3>,2|H<1>,6|C<3>}	115.4890	0.000	2	115.4890	0.000	2	115.4890	0.000	2	114.8130	0.609	4	117.6264	19.108	14	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,5a]	3:3:4:1:	4:4:3:2:	4:3:3:	C[5,5a]-3:C[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-3:C-2:	C[5,5]-4:N[5,5a]-3:C[5a]-3:	C[5,5](C[5,5a]N[5,5a]C[5a])(C[5,5]C[5]2)(C[5]C[5]CC)(H)	C[5](C[5,5]C[5,5a]C[5,5]H)(C[5]C[5]HH)(CCO)(CN)	C[5,5a](C[5,5]C[5,5]C[5]H)(N[5,5a]C[5a]C[5])(C[5a]C[5a]H)	C[5,5](C[5,5a]N[5,5a]C[5a])(C[5,5]C[5]2)(C[5]C[5]CC)(H){3|C<3>,5|H<1>}	C[5](C[5,5]C[5,5a]C[5,5]H)(C[5]C[5]HH)(CCO)(CN){1|C<4>,1|N<3>,2|C<3>}	C[5,5a](C[5,5]C[5,5]C[5]H)(N[5,5a]C[5a]C[5])(C[5a]C[5a]H){1|C<2>,1|C<4>,2|C<3>,4|H<1>}	124.1305	0.531	4	124.1305	0.282	4	124.1305	0.282	4	124.1305	0.282	4	117.6264	19.108	14	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,5a]	3:4:4:1:	4:4:1:1:	3:4:3:	C[5,5a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5,5]-4:N[5a]-3:	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5]2C)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5a]C[5,5]H)(C[5]C[5]HH)(H)2	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,5]C[5,5]C[5]H)(N[5a]C[5a,6a]C)	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5]2C)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[5](C[5,5]C[5,5a]C[5,5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,5]C[5,5]C[5]H)(N[5a]C[5a,6a]C){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	113.8020	0.000	1	113.8020	0.000	1	113.8020	0.000	1	113.7385	0.008	2	117.6264	19.108	14	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,5a]	3:4:4:1:	4:4:1:1:	3:4:3:	C[5,5a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[5,5]-4:C[5,5a]-3:	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]N[5]O[5]H)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5a]C[5,5]H)(C[5]O[5]HH)(H)2	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5]C[5,5]C[5]H)(C[5,5a]N[5a]N[5])	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]N[5]O[5]H)(C[5]C[5]HH)(H){1|N<3>,1|S<4>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5a]C[5,5]H)(C[5]O[5]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5]C[5,5]C[5]H)(C[5,5a]N[5a]N[5]){1|O<2>,1|S<4>,2|C<3>,2|C<4>,4|H<1>}	113.6750	0.000	1	113.6750	0.000	1	113.6750	0.000	1	113.7385	0.008	2	117.6264	19.108	14	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,5a]	3:4:4:2:	4:4:1:1:	3:4:3:	C[5,5a]-3:C[5,5]-4:C[5]-4:O-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[5,5]-4:C[5,5a]-3:	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5]2C)(C[5]C[5]HH)(OH)	C[5](C[5,5]C[5,5a]C[5,5]O)(C[5]C[5]HH)(H)2	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5]C[5,5]C[5]O)(C[5,5a]N[5a]C[5])	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5]2C)(C[5]C[5]HH)(OH){1|N<3>,2|C<3>,6|H<1>}	C[5](C[5,5]C[5,5a]C[5,5]O)(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5]C[5,5]C[5]O)(C[5,5a]N[5a]C[5]){1|S<4>,2|C<4>,3|C<3>,5|H<1>}	115.4030	0.785	2	115.4030	0.616	2	115.4030	0.616	2	115.4983	0.335	3	117.6264	19.108	14	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,5a]	3:4:4:2:	4:4:1:1:	3:4:3:	C[5,5a]-3:C[5,5]-4:C[5]-4:O-2:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,5a]-3:C[5,5]-4:C[5a]-3:	C[5,5](C[5,5a]N[5,5a]C[5a])(C[5,5]C[5]2H)(C[5]C[5]HH)(OH)	C[5](C[5,5]C[5,5a]C[5,5]O)(C[5]C[6a]C[5]H)(H)2	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5,5]C[5,5]C[5]O)(C[5a]C[5a,6a]H)	C[5,5](C[5,5a]N[5,5a]C[5a])(C[5,5]C[5]2H)(C[5]C[5]HH)(OH){1|O<1>,3|H<1>,4|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[5,5a](N[5,5a]C[5a,6a]C[5])(C[5,5]C[5,5]C[5]O)(C[5a]C[5a,6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	115.6890	0.000	1	115.6890	0.000	1	115.6890	0.000	1	115.4983	0.335	3	117.6264	19.108	14	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,5a]	3:4:4:3:	4:4:2:1:	3:4:3:	C[5,5a]-3:C[5]-4:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5a]-3:C[5,5]-4:N[5a]-3:	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(C[5]C[5]HO)(N[5]C[5]C)	C[5](C[5,5]C[5,5a]C[5]N[5])(C[5]C[5]HH)(OC)(H)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,5]C[5]2N[5])(N[5a]C[5a,6a]H)	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(C[5]C[5]HO)(N[5]C[5]C){1|O<1>,2|C<3>,5|H<1>}	C[5](C[5,5]C[5,5a]C[5]N[5])(C[5]C[5]HH)(OC)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,5]C[5]2N[5])(N[5a]C[5a,6a]H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	117.0240	0.000	1	117.0240	0.000	1	117.0240	0.000	1	117.0240	0.000	1	117.6264	19.108	14	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:3:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])3(C[5]C[5]HH)	C[5](C[5,5]C[5,6a]3)(C[5]C[5,6a]CC)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])3(C[5]C[5]HH){1|Br<1>,2|C<4>,2|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]3)(C[5]C[5,6a]CC)(H)2{6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	113.0078	1.146	4	113.0078	1.314	4	113.0078	1.314	4	113.0078	1.314	4	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:3:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5a]-3:N[5,5]-3:C[5]-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]O[5a])(N[5,5]C[5]2)(C[5]C[5]HH)	C[5](C[5,5]C[5,6a]N[5,5]C[5a])(C[5]C[5]HH)(H)2	C[5,6a](C[5,5]N[5,5]C[5a]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]O[5a])(N[5,5]C[5]2)(C[5]C[5]HH){1|O<1>,4|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]C[5a])(C[5]C[5]HH)(H)2{1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,5]N[5,5]C[5a]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	117.7620	0.000	1	117.7620	0.000	1	117.7620	0.000	1	116.8080	1.820	2	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	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[5,6a]-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[5,6a](C[5,5]N[5,5]C[6a]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[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[5,6a](C[5,5]N[5,5]C[6a]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	115.8540	0.000	1	115.8540	0.000	1	115.8540	0.000	1	116.8080	1.820	2	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:3:4:	4:4:2:2:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[5]-3:C[5]-4:	C[5,5]-4:C[5]-4:C-2:C-2:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CC)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[4]H)(CN)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]N[5,5]C[5]2)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CC){1|S<2>,2|C<4>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[4]H)(CN)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]N[5,5]C[5]2)(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<2>,3|C<3>,3|C<4>}	117.4140	0.000	1	117.4140	0.000	1	117.4140	0.000	1	117.4140	0.000	1	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:3:4:	4:4:3:1:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[5]-3:C[5]-4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CH)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]CH)(COO)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]N[5,5]C[5]2)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CH){3|C<3>,3|C<4>,5|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]CH)(COO)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]N[5,5]C[5]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	113.0420	0.000	1	113.0420	0.000	1	114.7946	1.935	5	114.7946	1.935	5	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:3:4:	4:4:3:1:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[5]-3:C[5]-4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CH)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CCO)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]N[5,5]C[5]2)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CH){1|C<4>,5|C<3>,5|H<1>}	C[5](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[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]N[5,5]C[5]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	113.6760	0.000	1	114.3805	0.993	2	114.7946	1.935	5	114.7946	1.935	5	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:3:4:	4:4:3:1:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[5]-3:C[5]-4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CH)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CCO)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]N[5,5]C[5]2)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CH){2|C<4>,4|C<3>,5|H<1>}	C[5](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[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]N[5,5]C[5]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	115.0850	0.000	1	114.3805	0.993	2	114.7946	1.935	5	114.7946	1.935	5	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:3:4:	4:4:3:1:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[5]-3:C[5]-4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CH)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]HH)(COO)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]N[5,5]C[5]2)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CH){1|C<4>,1|S<2>,3|C<3>,6|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]HH)(COO)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]N[5,5]C[5]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	116.1200	0.000	1	116.0850	0.002	2	114.7946	1.935	5	114.7946	1.935	5	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:3:4:	4:4:3:1:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[5]-3:C[5]-4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CH)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]HH)(COO)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]N[5,5]C[5]2)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CH){2|C<4>,3|C<3>,6|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]HH)(COO)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]N[5,5]C[5]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	116.0500	0.000	1	116.0850	0.002	2	114.7946	1.935	5	114.7946	1.935	5	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:3:4:	4:4:3:1:	4:3:2:	C[5,6a]-3:C[5,6a]-3:N[5,5]-3:C[5]-4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	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[5]CH)	C[5](C[5,5]C[5,6a]2N[5,5])(C[5]C[5,5]C[5]H)(CC[6a]O)(H)	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	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[5]CH){1|N<2>,3|C<3>,3|C<4>,5|H<1>}	C[5](C[5,5]C[5,6a]2N[5,5])(C[5]C[5,5]C[5]H)(CC[6a]O)(H){1|Fe<10>,1|H<1>,1|N<2>,3|C<3>,4|C<4>}	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,3|C<4>,5|C<3>}	111.2500	0.000	1	111.2500	0.000	1	110.1673	2.429	3	111.1805	6.547	6	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:3:4:	4:4:3:1:	4:3:2:	C[5,6a]-3:C[5,6a]-3:N[5,5]-3:C[5]-4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	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[5]CH)	C[5](C[5,5]C[5,6a]2N[5,5])(C[5]C[5,5]C[6a]H)(CC[5]O)(H)	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	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[5]CH){1|C<4>,1|N<2>,1|S<2>,4|C<3>,5|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[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,3|C<4>,5|C<3>}	109.6260	1.761	2	109.6260	3.100	2	110.1673	2.429	3	111.1805	6.547	6	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:3:4:	4:4:3:1:	4:3:2:	C[5,6a]-3:C[5,6a]-3:N[5,5]-3:C[5]-4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	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[5]2H)	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[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	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[5]2H){1|N<2>,1|O<2>,2|C<4>,5|C<3>,5|H<1>}	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[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,3|C<4>,5|C<3>}	108.4350	0.000	1	108.4350	0.000	1	108.4350	0.000	1	111.1805	6.547	6	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:3:4:	4:4:3:1:	4:3:2:	C[5,6a]-3:C[5,6a]-3:N[5,5]-3:C[5]-4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	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[5](C[5,5]C[5,6a]2N[5,5])(C[5]C[5,5]HN)(C[6a]C[6a]2)(H)	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	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[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[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,3|C<4>,5|C<3>}	113.5590	0.000	1	114.0730	0.528	2	114.0730	0.528	2	111.1805	6.547	6	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:3:4:	4:4:3:1:	4:3:2:	C[5,6a]-3:C[5,6a]-3:N[5,5]-3:C[5]-4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	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[5](C[5,5]C[5,6a]2N[5,5])(C[5]C[5,5]HN)(C[6a]C[6a]2)(H)	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	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[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[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,3|C<4>,5|C<3>}	114.5870	0.000	1	114.0730	0.528	2	114.0730	0.528	2	111.1805	6.547	6	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:3:4:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:N[5,5]-3:C[5]-4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH)	C[5](C[5,5]C[5,6a]2N[5,5])(C[5]C[5,5]C[5]H)(CC[6a]O)(H)	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH){1|N<2>,3|C<3>,3|C<4>,5|H<1>}	C[5](C[5,5]C[5,6a]2N[5,5])(C[5]C[5,5]C[5]H)(CC[6a]O)(H){1|Fe<10>,1|H<1>,1|N<2>,3|C<3>,4|C<4>}	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|C<3>,2|N<2>,3|C<4>,3|H<1>}	118.1890	0.000	1	118.1890	0.000	1	116.2537	3.561	3	114.2092	6.841	10	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:3:4:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:N[5,5]-3:C[5]-4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH)	C[5](C[5,5]C[5,6a]2N[5,5])(C[5]C[5,5]C[6a]H)(CC[5]O)(H)	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH){1|C<4>,1|N<2>,1|S<2>,4|C<3>,5|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[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|C<3>,2|N<2>,3|C<4>,3|H<1>}	115.2860	1.226	2	115.2860	1.503	2	116.2537	3.561	3	114.2092	6.841	10	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:3:4:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:N[5,5]-3:C[5]-4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]2H)	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[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]2H){1|N<2>,1|O<2>,2|C<4>,5|C<3>,5|H<1>}	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[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|C<3>,2|N<2>,3|C<4>,3|H<1>}	113.0890	0.000	1	113.0890	0.000	1	113.0890	0.000	1	114.2092	6.841	10	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:3:4:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:N[5,5]-3:C[5]-4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)	C[5](C[5,5]C[5,6a]2N[5,5])(C[5]C[5,5]HN)(C[6a]C[6a]2)(H)	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]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[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[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|C<3>,2|N<2>,3|C<4>,3|H<1>}	114.0080	0.000	1	115.5360	4.670	2	115.5360	4.670	2	114.2092	6.841	10	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:3:4:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:N[5,5]-3:C[5]-4:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)	C[5](C[5,5]C[5,6a]2N[5,5])(C[5]C[5,5]HN)(C[6a]C[6a]2)(H)	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]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[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[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|C<3>,2|N<2>,3|C<4>,3|H<1>}	117.0640	0.000	1	115.5360	4.670	2	115.5360	4.670	2	114.2092	6.841	10	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:3:4:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:N[5]-3:C[5]-4:	C[5,5]-4:C[5]-4:C-3:Cl-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(N[5]C[6a]N[5])(C[5]C[5]ClC)	C[5](C[5,5]C[5,6a]2N[5])(C[5]N[5]HH)(COO)(Cl)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(N[5]C[6a]N[5])(C[5]C[5]ClC){1|C<2>,4|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]2N[5])(C[5]N[5]HH)(COO)(Cl){1|C<2>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<3>,2|H<1>,5|C<3>}	112.2925	2.434	4	112.2925	5.922	4	112.2925	5.922	4	114.2092	6.841	10	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:3:4:	4:4:3:2:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[5]-3:C[5]-4:	C[5,5]-4:C[5]-4:C-3:C-2:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CC)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(COO)(CN)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]N[5,5]C[5]2)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CC){1|C<4>,1|S<2>,4|C<3>,5|H<1>}	C[5](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[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]N[5,5]C[5]2)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|O<1>,3|C<4>,4|C<3>}	112.8700	0.000	1	112.8700	0.000	1	112.8700	0.000	1	112.8700	0.000	1	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:3:4:	4:4:3:2:	4:3:2:	C[5,6a]-3:C[5,6a]-3:N[5,5]-3:C[5]-4:	C[5,5]-4:C[5]-4:C-3:C-2:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	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[5]CC)	C[5](C[5,5]C[5,6a]2N[5,5])(C[5]C[5,5]C[6a]H)(COO)(CN)	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	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[5]CC){1|C<4>,1|N<2>,1|S<2>,4|C<3>,5|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[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){1|C<2>,3|C<4>,5|C<3>}	112.6600	0.000	1	112.6600	0.000	1	112.6600	0.000	1	112.6600	0.000	1	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:3:4:	4:4:3:2:	4:3:3:	C[5,6a]-3:C[5,6a]-3:N[5,5]-3:C[5]-4:	C[5,5]-4:C[5]-4:C-3:C-2:	C[5,5]-4:C[5,6a]-3:C[6a]-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[5]CC)	C[5](C[5,5]C[5,6a]2N[5,5])(C[5]C[5,5]C[6a]H)(COO)(CN)	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CC){1|C<4>,1|N<2>,1|S<2>,4|C<3>,5|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[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<2>,2|C<3>,2|H<1>,2|N<2>,3|C<4>}	110.2690	0.000	1	110.2690	0.000	1	110.2690	0.000	1	110.2690	0.000	1	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:3:4:	4:4:4:1:	3:4:3:	C[5,6a]-3:N[5,6]-3:C[5]-3:C[5]-4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,6a]O)(C[5]C[5]CH)	C[5](C[5,5]C[5,6a]N[5,6]C[5])(C[5]C[5,6]HS)(CHHS)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]N[5,6]C[5]2)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,6a]O)(C[5]C[5]CH){1|C<4>,1|S<4>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]N[5,6]C[5])(C[5]C[5,6]HS)(CHHS)(H){1|C<4>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]N[5,6]C[5]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	115.7720	0.000	1	115.7720	0.000	1	115.7720	0.000	1	115.7720	0.000	1	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:3:4:	4:4:4:1:	4:3:2:	C[5,6a]-3:C[5,6a]-3:N[5,5]-3:C[5]-4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	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[5]2H)	C[5](C[5,5]C[5,6a]2N[5,5])(C[5]C[5,5]CH)(C[5]C[5]2Fe)(H)	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	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[5]2H){1|Fe<10>,1|N<2>,4|C<3>,4|C<4>,5|H<1>}	C[5](C[5,5]C[5,6a]2N[5,5])(C[5]C[5,5]CH)(C[5]C[5]2Fe)(H){1|N<2>,3|C<3>,3|H<1>,4|C<4>}	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,4|C<3>,4|C<4>}	111.4800	0.000	1	111.4800	0.000	1	111.4800	0.000	1	111.4800	0.000	1	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:3:4:	4:4:4:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:N[5,5]-3:C[5]-4:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]2H)	C[5](C[5,5]C[5,6a]2N[5,5])(C[5]C[5,5]CH)(C[5]C[5]2Fe)(H)	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]2H){1|Fe<10>,1|N<2>,4|C<3>,4|C<4>,5|H<1>}	C[5](C[5,5]C[5,6a]2N[5,5])(C[5]C[5,5]CH)(C[5]C[5]2Fe)(H){1|N<2>,3|C<3>,3|H<1>,4|C<4>}	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<3>,2|N<2>,3|H<1>,4|C<4>}	114.0170	0.000	1	114.0170	0.000	1	114.0170	0.000	1	114.0170	0.000	1	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:1:	4:2:1:1:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(C[5]O[5]HH)(H)	C[5](C[5,5]C[5,6a]N[5,5]H)(O[5]S[5])(H)2	C[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(C[5]O[5]HH)(H){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	C[5](C[5,5]C[5,6a]N[5,5]H)(O[5]S[5])(H)2{1|C<4>,2|C<3>,2|O<1>}	C[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|C<3>,1|C<4>,1|O<2>,1|S<4>,5|H<1>}	115.4945	0.820	2	115.4945	0.672	2	115.4637	0.339	3	115.4637	0.339	3	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:1:	4:2:1:1:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(C[5]O[5]HH)(H)	C[5](C[5,5]C[5,6a]N[5,5]H)(O[5]S[5])(H)2	C[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(C[5]O[5]HH)(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[5](C[5,5]C[5,6a]N[5,5]H)(O[5]S[5])(H)2{1|C<4>,2|C<3>,2|O<1>}	C[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,1|S<4>,5|H<1>}	115.4020	0.000	1	115.4020	0.000	1	115.4637	0.339	3	115.4637	0.339	3	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:1:	4:2:3:1:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:O[5]-2:C-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(C[5]O[5]CH)(H)	C[5](C[5,5]C[5,6a]N[5,5]H)(O[5]S[5])(COO)(H)	C[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(C[5]O[5]CH)(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[5](C[5,5]C[5,6a]N[5,5]H)(O[5]S[5])(COO)(H){1|C<4>,2|C<3>,2|O<1>}	C[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<2>,1|S<4>,2|C<3>,3|H<1>}	114.2740	0.000	1	114.2740	0.000	1	114.2740	0.000	1	114.2740	0.000	1	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:1:	4:3:3:3:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C-3:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CC)(H)	C[5](C[5,5]C[5,6a]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(COO)2	C[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CC)(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(COO)2{1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	120.1330	0.000	1	120.1330	0.000	1	120.1330	0.000	1	119.9195	0.091	2	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:1:	4:3:3:3:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-3:C-3:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]CC)(H)	C[5](C[5,5]C[5,6a]N[5,5]H)(C[5]C[5]C)(COO)2	C[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]CC)(H){1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]H)(C[5]C[5]C)(COO)2{2|H<1>,3|C<3>}	C[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	119.7060	0.000	1	119.7060	0.000	1	119.7060	0.000	1	119.9195	0.091	2	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:1:	4:3:4:4:	4:3:3:	C[5,6a]-3:C[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-3:C-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5])(C[5]C[5]CC)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]O)(CH3)2	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5])(C[5]C[5]CC)(H){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]O)(CH3)2{4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	125.5710	0.000	1	125.5710	0.000	1	125.5710	0.000	1	125.5710	0.000	1	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:1:	4:4:3:1:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]CH)(H)	C[5](C[5,5]C[5,6a]N[5,5]H)(C[5]C[5]HH)(CC[6a]O)(H)	C[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]CH)(H){1|O<1>,2|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]H)(C[5]C[5]HH)(CC[6a]O)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	120.0780	0.000	1	120.0780	0.000	1	120.0780	0.000	1	120.0780	0.000	1	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:1:	4:4:4:1:	4:3:3:	C[5,6a]-3:C[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5])(C[5]C[5]CH)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]HN)(CCCH)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5])(C[5]C[5]CH)(H){2|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]HN)(CCCH)(H){1|O<1>,1|S<4>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	121.4490	0.000	1	121.4490	0.000	1	121.4490	0.000	1	121.4490	0.000	1	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:2:	4:2:1:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N[5]-2:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]O[5]HH)(N[5]C[5])	C[5](C[5,5]C[5,6a]2N[5])(O[5]C[5,6a])(H)2	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]O[5]HH)(N[5]C[5]){3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]2N[5])(O[5]C[5,6a])(H)2{5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,5|H<1>}	115.2860	0.000	1	115.2860	0.000	1	115.2860	0.000	1	115.2860	0.000	1	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:2:	4:3:1:1:	4:3:3:	C[5,6a]-3:N[5]-3:C[5]-4:O[5]-2:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]HH)(O[5]C[5])	C[5](C[5,5]C[5,6a]N[5]O[5])(C[5]C[5]C)(H)2	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]HH)(O[5]C[5]){1|H<1>,2|O<1>,5|C<3>}	C[5](C[5,5]C[5,6a]N[5]O[5])(C[5]C[5]C)(H)2{1|O<1>,4|C<3>}	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,4|C<3>,4|H<1>}	114.1350	0.000	1	114.1350	0.000	1	114.1350	0.000	1	114.1350	0.000	1	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:2:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:S[5]-2:	C[5,5]-4:N[5]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]N[5]H)(S[5]C[5])	C[5](C[5,5]C[5,6a]2S[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,5]C[5,6a]C[5]S[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	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[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[5,6a](C[5,5]C[5,6a]C[5]S[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	112.8245	1.481	2	112.8245	2.195	2	112.8245	2.195	2	112.8245	2.195	2	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:2:	4:3:4:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:O[5]-2:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5]H)(O[5]C[5])	C[5](C[5,5]C[5,6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5,6a](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	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[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[5,6a](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	112.8250	2.459	2	112.8250	6.048	2	112.8250	6.048	2	112.8250	6.048	2	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:2:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:O[5]-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O[5]C[5])	C[5](C[5,5]C[5,6a]2O[5])(C[5]C[5]HH)(H)2	C[5,6a](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O[5]C[5]){5|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]2O[5])(C[5]C[5]HH)(H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	112.6700	0.000	1	112.6700	0.000	1	112.6700	0.000	1	112.2140	0.416	2	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:2:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:O[5]-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[6a,6a]-3:C[5,6a]-3:	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O[5]C[5])	C[5](C[5,5]C[5,6a]2O[5])(C[5]C[5]HH)(H)2	C[5,6a](C[5,5]C[5,6a]C[5]O[5])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O[5]C[5]){5|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]2O[5])(C[5]C[5]HH)(H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]O[5])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a]){2|C<4>,4|H<1>,5|C<3>}	111.7580	0.000	1	111.7580	0.000	1	111.7580	0.000	1	112.2140	0.416	2	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:2:	4:4:4:1:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-4:O-2:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]CH)(OH)	C[5](C[5,5]C[5,6a]N[5,5]O)(C[5]C[5]HH)(CCHH)(H)	C[5,6a](C[5,5]N[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]CH)(OH){1|O<1>,2|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]O)(C[5]C[5]HH)(CCHH)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,5]N[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	122.2520	0.000	1	122.2520	0.000	1	122.2520	0.000	1	122.2520	0.000	1	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:2:	4:4:4:3:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-4:O-2:	C[5,5]-4:C[5]-4:C-4:N-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]CN)(OH)	C[5](C[5,5]C[5,6a]N[5,5]O)(C[5]C[5]HH)(CH3)(NCO)	C[5,6a](C[5,5]N[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]CN)(OH){1|O<1>,2|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]O)(C[5]C[5]HH)(CH3)(NCO){2|H<1>,3|C<3>}	C[5,6a](C[5,5]N[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	121.7290	0.000	1	121.7290	0.000	1	121.8677	0.453	3	121.8677	0.453	3	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:2:	4:4:4:3:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-4:O-2:	C[5,5]-4:C[5]-4:C-4:N-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]CN)(OH)	C[5](C[5,5]C[5,6a]N[5,5]O)(C[5]C[5]HH)(CH3)(NHO)	C[5,6a](C[5,5]N[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]CN)(OH){1|O<1>,2|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]O)(C[5]C[5]HH)(CH3)(NHO){2|H<1>,3|C<3>}	C[5,6a](C[5,5]N[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	121.9370	0.936	2	121.9370	0.876	2	121.8677	0.453	3	121.8677	0.453	3	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:3:	4:2:1:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[5]-4:N[5]-3:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]O[5]HH)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(O[5]C[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]O[5]HH)(N[5]C[5]H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(O[5]C[5])(H)2{1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	113.2530	0.000	1	113.2617	0.000	3	113.2617	0.000	3	113.2617	0.000	3	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:3:	4:2:1:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[5]-4:N[5]-3:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]O[5]HH)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(O[5]C[5])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]O[5]HH)(N[5]C[5]H){1|H<1>,1|O<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(O[5]C[5])(H)2{1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<2>,4|C<3>,5|H<1>}	113.2660	0.008	2	113.2617	0.000	3	113.2617	0.000	3	113.2617	0.000	3	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:3:	4:2:3:3:	3:4:3:	C[5,6a]-3:N[5]-3:C[5]-4:C[5]-3:	C[5,5]-4:O[5]-2:C-3:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]O[5]CC)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]N[5])(O[5]C[5])(COO)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]O[5]CC)(C[5]N[5]O){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(O[5]C[5])(COO)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	118.2970	0.000	1	118.2970	0.000	1	118.2970	0.000	1	118.2970	0.000	1	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:3:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]S)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)(C[5]C[5]O){1|O<2>,1|S<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]S)(H)2{1|O<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]H){1|O<1>,4|H<1>,5|C<3>}	115.1870	1.165	2	115.1870	1.358	2	115.1870	1.358	2	114.9555	2.367	10	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:3:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(H)2{1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){4|C<3>,5|H<1>}	114.0280	0.044	2	114.0280	0.002	2	115.3723	5.423	3	114.9555	2.367	10	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:3:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(H)2{1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	118.0610	0.000	1	118.0610	0.000	1	115.3723	5.423	3	114.9555	2.367	10	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:3:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[5]-4:C[5]-3:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[5]N[5]HH)(C[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]N[5]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[5]N[5]HH)(C[5]C[5]H){1|H<1>,2|C<4>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]N[5]C)(H)2{1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,5|H<1>}	114.5620	0.000	1	114.5620	0.000	1	114.5620	0.000	1	114.9555	2.367	10	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:3:	4:3:1:1:	3:4:3:	C[5,6a]-3:N[5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5]O)(H)2{1|C<4>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|O<1>,3|C<3>,3|H<1>}	116.3930	0.000	1	115.6915	0.984	2	115.6915	0.984	2	114.9555	2.367	10	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:3:	4:3:1:1:	3:4:3:	C[5,6a]-3:N[5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5]O)(H)2{1|C<4>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<3>,2|O<1>,3|C<3>,4|H<1>}	114.9900	0.000	1	115.6915	0.984	2	115.6915	0.984	2	114.9555	2.367	10	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:3:	4:3:1:1:	3:4:3:	C[5,6a]-3:N[5]-3:C[5]-4:C[5]-3:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]HH)(C[5]N[5]N)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[6a]C[5])(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]HH)(C[5]N[5]N){1|C<4>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[6a]C[5])(H)2{1|N<2>,1|N<3>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|C<4>,4|H<1>}	112.4750	0.000	1	112.4750	0.000	1	112.4750	0.000	1	114.9555	2.367	10	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:3:	4:3:1:1:	3:4:3:	C[5,6a]-3:N[5]-3:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]HH)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]N[5]2)(C[5]C[5]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]N[5]2)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]HH)(N[5]C[5]H){1|H<1>,2|O<1>,5|C<3>}	C[5](C[5,5]C[5,6a]N[5]2)(C[5]C[5]C)(H)2{1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]N[5]2)(C[6a]C[6a]H){1|O<1>,4|C<3>,5|H<1>}	114.6440	0.000	1	114.6440	0.000	1	114.6440	0.000	1	114.9555	2.367	10	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:3:	4:3:1:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]O)(H)2	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]O)(H)2{1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	116.6100	0.000	1	116.6100	0.000	1	116.6100	0.000	1	115.9907	5.647	3	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:3:	4:3:1:1:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-4:C-3:	C[5,5]-4:C[5,6a]-3:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]S[5])(C[5]C[5,6a]HH)(COO)	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]S[5])(C[5]C[5,6a]HH)(COO){1|H<1>,2|O<1>,4|C<3>}	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,1|S<4>,4|C<3>}	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|O<1>,3|C<3>,4|H<1>}	113.3660	0.000	1	113.3660	0.000	1	113.3660	0.000	1	115.9907	5.647	3	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:3:	4:3:1:1:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-4:C-3:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]HH)(CNO)	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5]C[5]C)(H)2	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]HH)(CNO){1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5]C[5]C)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,6|H<1>}	117.9960	0.000	1	117.9960	0.000	1	117.9960	0.000	1	115.9907	5.647	3	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:3:	4:3:2:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:N[5]-3:O-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]HO)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]C)(OC)(H)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]HO)(C[5]N[5]O){2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]C)(OC)(H){1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	116.1810	0.000	1	116.1810	0.000	1	116.1810	0.000	1	116.1810	0.000	1	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:3:	4:3:3:1:	3:4:3:	C[5,6a]-3:N[5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-3:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])(C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5]C)(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])(C[5]C[5]CH)(C[5]N[5]O){1|H<1>,2|C<4>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5]C)(CC[6a]O)(H){1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,3|H<1>,4|C<3>}	115.0040	0.000	1	115.0040	0.000	1	115.0040	0.000	1	115.0040	0.000	1	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:3:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5]H)(N[5]S[5]H)	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C)(C[6a]C[6a]2)(H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]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){2|H<1>,2|O<1>,7|C<3>}	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C)(C[6a]C[6a]2)(H){1|S<4>,3|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|O<1>,4|H<1>,5|C<3>}	115.7975	0.159	2	115.7975	0.025	2	115.7975	0.025	2	115.7975	0.025	2	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:3:	4:3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-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])	C[5](C[5,5]C[5,6a]2C[5])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]H)	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[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[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,7|C<3>}	112.8360	4.633	2	112.8360	21.464	2	112.8360	21.464	2	112.8360	21.464	2	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:3:	4:3:4:1:	3:4:3:	C[5,6a]-3:N[5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])(C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5a]N[5])(CC3)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])(C[5]C[5]CH)(C[5]N[5]O){1|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5a]N[5])(CC3)(H){1|N<3>,1|O<1>,1|S<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,3|H<1>,4|C<3>}	120.3130	0.000	1	120.3130	0.000	1	120.3130	0.000	1	120.3130	0.000	1	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:3:	4:3:4:1:	4:3:2:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N[5]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	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[5](C[5,5]C[5,6a]2N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	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[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[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){2|C<4>,2|H<1>,5|C<3>}	114.8040	0.000	1	114.8040	0.000	1	114.8040	0.000	1	114.8040	0.000	1	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:3:	4:3:4:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N[5]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[6a]C[5]H)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]2N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]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[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[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|N<2>,4|H<1>}	115.1070	0.000	1	115.1070	0.000	1	115.1070	0.000	1	115.3517	0.067	4	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:3:	4:3:4:1:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-4:C-3:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(C[5]C[5]CH)(COO)	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5]C[5]O)(CCHH)(H)	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(C[5]C[5]CH)(COO){1|H<1>,3|C<3>,3|O<1>}	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5]C[5]O)(CCHH)(H){1|S<4>,3|C<3>}	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|O<1>,3|C<3>,3|H<1>}	115.2410	0.000	1	115.2410	0.000	1	115.2410	0.000	1	115.3517	0.067	4	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:3:	4:3:4:1:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5a]-3:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5,6])(C[5]C[5a]C[5]H)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5a]C[5a,6a]C[5a])(C[5]C[5,5]HN)(H)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5,6])(C[5]C[5a]C[5]H)(C[5]N[5]O){1|N<3>,3|C<4>,4|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5a]C[5a,6a]C[5a])(C[5]C[5,5]HN)(H){1|O<1>,2|C<4>,2|H<1>,2|N<3>,4|C<3>}	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	115.5295	0.257	2	115.5295	0.066	2	115.5295	0.066	2	115.3517	0.067	4	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:3:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]HH)(H)2{1|N<3>,2|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<3>,2|O<1>,3|C<4>,4|H<1>}	118.6680	0.901	4	118.6680	0.813	4	117.8430	4.013	5	117.1646	3.210	8	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:3:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]HH)(C[5]C[5]O){1|C<4>,4|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	114.5430	0.000	1	114.5430	0.000	1	117.8430	4.013	5	117.1646	3.210	8	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:3:	4:4:1:1:	3:4:3:	C[5,6a]-3:N[5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5,5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,5]C[5,6a]C[5]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5,5]HH)(C[5]N[5]O){3|H<1>,7|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,5]C[5,6a]C[5]2)(H)2{1|H<1>,2|N<3>,2|O<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	116.0050	0.528	2	116.0050	0.278	2	116.0050	0.278	2	117.1646	3.210	8	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:3:	4:4:1:1:	3:4:3:	C[5,6a]-3:N[5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]H)(C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,5]C[6a]H)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,2|H<1>,5|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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	116.0920	0.000	1	116.0920	0.000	1	116.0920	0.000	1	117.1646	3.210	8	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:3:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]C[6a]C)(H)2	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,2|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[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	115.6280	0.000	1	115.6280	0.000	1	115.6280	0.000	1	114.7550	1.376	8	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:3:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)(N[5]C[5]S)	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]CC)(H)2	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)(N[5]C[5]S){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]CC)(H)2{1|S<4>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|S<4>,3|C<3>,4|H<1>}	113.3500	0.000	1	113.3500	0.000	1	112.9905	0.258	2	114.7550	1.376	8	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:3:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)(N[5]S[5]H)	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]CC)(H)2	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)(N[5]S[5]H){1|C<4>,2|H<1>,2|O<1>,5|C<3>}	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]CC)(H)2{1|H<1>,1|S<4>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|O<1>,3|C<3>,5|H<1>}	112.6310	0.000	1	112.6310	0.000	1	112.9905	0.258	2	114.7550	1.376	8	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:3:	4:4:1:1:	4:3:3:	C[5,6a]-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[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[5]C)(H)2	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]N[5]O){3|C<3>,3|C<4>,5|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[5]C)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,4|C<3>}	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	115.4065	0.523	2	115.4065	0.273	2	115.1412	0.185	4	114.7550	1.376	8	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:3:	4:4:1:1:	4:3:3:	C[5,6a]-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[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]HH)(H)2	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]N[5]O){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	114.8760	0.024	2	114.8760	0.001	2	115.1412	0.185	4	114.7550	1.376	8	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:3:	4:4:1:1:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]N[5,6]C[5])(C[5]C[5,6]HS)(H)2	C[5,6a](C[5,5]N[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5]HH)(C[5]N[5]O){1|S<4>,2|C<4>,3|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]N[5,6]C[5])(C[5]C[5,6]HS)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,5]N[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	115.8660	0.000	1	115.8660	0.000	1	115.8660	0.000	1	114.7550	1.376	8	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]CC)(COO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[5]C[5]CH)(C[5]N[5]O){1|C<4>,1|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]CC)(COO)(H){1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,3|H<1>,4|C<3>}	119.6035	1.187	2	119.6035	1.410	2	118.1355	3.379	4	117.1150	3.010	11	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]CH)(COO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[5]C[5]CH)(C[5]N[5]O){2|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]CH)(COO)(H){1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|F<1>,1|N<2>,1|O<1>,2|H<1>,4|C<3>}	116.6675	0.329	2	116.6675	0.108	2	118.1355	3.379	4	117.1150	3.010	11	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[5]C[5]CH)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH)(CN[5]O)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[5]C[5]CH)(N[5]C[5]C){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH)(CN[5]O)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	118.3930	0.000	1	118.3930	0.000	1	116.8825	1.650	6	117.1150	3.010	11	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[5]C[5]CH)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HS)(CCH)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[5]C[5]CH)(N[5]C[5]C){1|S<4>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HS)(CCH)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	115.8300	0.000	1	115.8300	0.000	1	116.8825	1.650	6	117.1150	3.010	11	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[5]C[5]CH)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[6a]O)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[5]C[5]CH)(N[5]C[5]C){4|C<3>,4|H<1>}	C[5](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[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	116.7680	1.266	4	116.7680	1.602	4	116.8825	1.650	6	117.1150	3.010	11	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,5]-4:C-3:H-1:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,5]CH)(C[5]C[5,6a]O)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5,6a]N[5,5]C[5])(CC[6a]O)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]N[5,5]C[5]2)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,5]CH)(C[5]C[5,6a]O){2|C<4>,4|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5,6a]N[5,5]C[5])(CC[6a]O)(H){1|H<1>,1|N<3>,2|C<4>,2|O<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]N[5,5]C[5]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	114.4280	0.000	1	114.4280	0.000	1	114.4280	0.000	1	117.1150	3.010	11	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:3:	4:4:3:1:	4:3:2:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5]CH)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5]2H)(CC[6a]O)(H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5]CH)(N[5]C[5]C){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5]2H)(CC[6a]O)(H){1|Fe<10>,1|N<2>,2|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,3|C<4>,5|C<3>}	113.6720	0.000	1	113.6720	0.000	1	111.0155	3.454	4	111.0155	3.454	4	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:3:	4:4:3:1:	4:3:2:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5]CH)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[6a]C[5]H)(CC[5]O)(H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5]CH)(N[5]C[5]C){1|N<2>,4|C<3>,4|H<1>}	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[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,3|C<4>,5|C<3>}	109.7315	0.005	2	109.7315	0.000	2	111.0155	3.454	4	111.0155	3.454	4	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:3:	4:4:3:1:	4:3:2:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5]CH)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5]2H)(CC[6a]O)(H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5]CH)(N[5]C[5]H){1|N<2>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5]2H)(CC[6a]O)(H){1|Fe<10>,1|N<2>,2|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){2|C<4>,2|H<1>,5|C<3>}	110.9270	0.000	1	110.9270	0.000	1	111.0155	3.454	4	111.0155	3.454	4	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:3:	4:4:3:1:	4:3:3:	C[5,5a]-3:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-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)	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[5,6a](C[5,5]C[5,5a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]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){1|C<4>,1|N<3>,2|H<1>,7|C<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){1|O<1>,2|H<1>,3|N<3>,6|C<3>}	C[5,6a](C[5,5]C[5,5a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	112.3520	0.000	1	112.3520	0.000	1	112.3520	0.000	1	115.7162	5.406	32	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:3:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N[5,5]-3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,5]C[6a]H)(N[5,5]C[3x5]C[5])	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[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]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]){2|C<4>,6|H<1>,7|C<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){1|O<1>,1|O<2>,2|C<4>,3|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){3|C<4>,3|H<1>,4|C<3>}	113.5365	0.015	2	113.5365	0.000	2	113.5365	0.000	2	115.7162	5.406	32	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:3:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5]CH)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5]2H)(CC[6a]O)(H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5]CH)(N[5]C[5]C){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5]2H)(CC[6a]O)(H){1|Fe<10>,1|N<2>,2|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|C<3>,2|N<2>,3|C<4>,3|H<1>}	118.1320	0.000	1	118.1320	0.000	1	117.0993	5.078	6	115.7162	5.406	32	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:3:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5]CH)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[6a]C[5]H)(CC[5]O)(H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5]CH)(N[5]C[5]C){1|N<2>,4|C<3>,4|H<1>}	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[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|C<3>,2|N<2>,3|C<4>,3|H<1>}	116.6275	1.384	2	116.6275	1.915	2	117.0993	5.078	6	115.7162	5.406	32	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:3:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5]CH)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5]2H)(CC[6a]O)(H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5]CH)(N[5]C[5]H){1|N<2>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5]2H)(CC[6a]O)(H){1|Fe<10>,1|N<2>,2|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|N<2>,4|H<1>}	120.4190	0.000	1	120.4190	0.000	1	117.0993	5.078	6	115.7162	5.406	32	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:3:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]CH)(N[5]S[5]H)	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]CH)(CC[6a]O)(H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]CH)(N[5]S[5]H){1|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]CH)(CC[6a]O)(H){1|H<1>,1|S<4>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	115.3950	2.266	2	115.3950	5.133	2	117.0993	5.078	6	115.7162	5.406	32	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:3:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5]H)(N[5]S[5]H)	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]CH)(C[6a]C[6a]2)(H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]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){2|O<1>,3|H<1>,7|C<3>}	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[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	114.1490	0.000	1	114.1490	0.000	1	114.1490	0.000	1	115.7162	5.406	32	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:3:	4:4:3:1:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5,6])(C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CCO)(H)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5,6])(C[5]C[5]CH)(C[5]N[5]O){3|C<3>,3|C<4>,5|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[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	115.6790	0.000	1	115.6790	0.000	1	115.5635	4.964	12	115.7162	5.406	32	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:3:	4:4:3:1:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]CH)(CC[6a]O)(H)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]N[5]O){3|C<3>,3|C<4>,5|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]CH)(CC[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	116.7110	0.000	1	116.7110	0.000	1	115.5635	4.964	12	115.7162	5.406	32	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:3:	4:4:3:1:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[5]H)(COO)(H)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]N[5]O){2|C<3>,4|C<4>,5|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[5]H)(COO)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	114.3330	0.000	1	114.3330	0.000	1	115.5635	4.964	12	115.7162	5.406	32	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:3:	4:4:3:1:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[5a]H)(CCO)(H)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]N[5]O){2|C<4>,3|C<3>,6|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[5a]H)(CCO)(H){1|H<1>,1|N<3>,1|O<1>,1|S<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	116.4220	0.000	1	116.4220	0.000	1	115.5635	4.964	12	115.7162	5.406	32	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:3:	4:4:3:1:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[5a]H)(CC[6a]O)(H)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]N[5]O){3|C<3>,3|C<4>,5|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[5a]H)(CC[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,1|S<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	115.6810	0.000	1	115.6810	0.000	1	115.5635	4.964	12	115.7162	5.406	32	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:3:	4:4:3:1:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CCO)(H)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]N[5]O){2|C<4>,3|C<3>,6|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[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	120.5220	0.000	1	118.1835	10.937	2	115.5635	4.964	12	115.7162	5.406	32	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:3:	4:4:3:1:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CCO)(H)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]N[5]O){2|C<4>,3|C<3>,6|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[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	115.8450	0.000	1	118.1835	10.937	2	115.5635	4.964	12	115.7162	5.406	32	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:3:	4:4:3:1:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]N[5]O)	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[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]N[5]O){2|C<4>,3|C<3>,6|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[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	112.3660	0.000	1	113.5453	2.239	4	115.5635	4.964	12	115.7162	5.406	32	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:3:	4:4:3:1:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]N[5]O)	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[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]N[5]O){2|C<4>,3|C<3>,6|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[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	113.9383	1.559	3	113.5453	2.239	4	115.5635	4.964	12	115.7162	5.406	32	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:3:	4:4:3:1:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]N[5])(C[5]C[5]CH)(C[5]N[5]O)	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[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]N[5])(C[5]C[5]CH)(C[5]N[5]O){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|C<4>,1|H<1>,1|O<1>,2|N<3>,4|C<3>}	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	117.3880	0.000	1	117.3880	0.000	1	115.5635	4.964	12	115.7162	5.406	32	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:3:	4:4:3:1:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C[5a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5a]C[5]H)(C[5]N[5]O)	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[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5a]C[5]H)(C[5]N[5]O){1|O<2>,2|C<4>,4|C<3>,6|H<1>}	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[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	118.0450	0.000	1	118.0450	0.000	1	118.0450	0.000	1	115.7162	5.406	32	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:3:	4:4:3:1:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]N[5]O)	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[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]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){1|N<2>,1|N<3>,2|C<4>,3|C<3>,6|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[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	119.2960	0.000	1	119.2960	0.000	1	114.9638	7.648	5	115.7162	5.406	32	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:3:	4:4:3:1:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]N[5]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)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]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){1|N<3>,2|C<4>,4|C<3>,6|H<1>}	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[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	114.3220	0.000	1	113.8808	2.377	4	114.9638	7.648	5	115.7162	5.406	32	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:3:	4:4:3:1:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]N[5]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)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]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){1|N<3>,2|C<4>,4|C<3>,6|H<1>}	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[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	114.9450	0.000	1	113.8808	2.377	4	114.9638	7.648	5	115.7162	5.406	32	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:3:	4:4:3:1:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]N[5]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)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]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){1|N<3>,2|C<4>,4|C<3>,6|H<1>}	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[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	111.6000	0.000	1	113.8808	2.377	4	114.9638	7.648	5	115.7162	5.406	32	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:3:	4:4:3:1:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]N[5]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)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]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){1|N<3>,2|C<4>,4|C<3>,6|H<1>}	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[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	114.6560	0.000	1	113.8808	2.377	4	114.9638	7.648	5	115.7162	5.406	32	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:3:	4:4:3:1:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,5]-4:C-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5,6a]N[5,6]C[5])(COO)(H)	C[5,6a](C[5,5]N[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,5]CH)(C[5]N[5]O){2|C<4>,4|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5,6a]N[5,6]C[5])(COO)(H){1|C<4>,1|H<1>,2|N<3>,2|O<1>,5|C<3>}	C[5,6a](C[5,5]N[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	114.6360	0.000	1	114.6360	0.000	1	115.6040	1.874	2	115.7162	5.406	32	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:3:	4:4:3:1:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,5]-4:C-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]N[5,6]C[5])(C[5,5]C[5,6]C[5]S[5])(COO)(H)	C[5,6a](C[5,5]N[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,5]CH)(C[5]N[5]O){1|S<2>,2|C<4>,3|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]N[5,6]C[5])(C[5,5]C[5,6]C[5]S[5])(COO)(H){1|H<1>,1|N<3>,2|C<4>,2|O<1>,4|C<3>}	C[5,6a](C[5,5]N[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	116.5720	0.000	1	116.5720	0.000	1	115.6040	1.874	2	115.7162	5.406	32	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:3:	4:4:3:1:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]N[5,6]C[5])(C[5]C[5,6]C[6a]H)(CCO)(H)	C[5,6a](C[5,5]N[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5]CH)(C[5]N[5]O){1|C<4>,4|C<3>,6|H<1>}	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[5,6a](C[5,5]N[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	117.9575	1.327	2	117.9575	1.762	2	117.9575	1.762	2	115.7162	5.406	32	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:3:	4:4:3:2:	3:4:3:	C[5,6a]-3:C[5]-3:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-4:C-3:C-2:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[5]C[5]CC)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(COO)(CN)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[5]C[5]CC)(N[5]C[5]C){4|C<3>,4|H<1>}	C[5](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[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<2>,1|H<1>,1|O<1>,3|C<4>,4|C<3>}	112.7300	0.000	1	112.7300	0.000	1	112.7300	0.000	1	112.7300	0.000	1	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:3:	4:4:3:3:	3:4:3:	C[5,6a]-3:N[5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C-3:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]CC)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(COO)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]CC)(C[5]N[5]O){5|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(COO)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|Br<1>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	115.6495	3.245	4	115.0938	9.444	5	115.0938	9.444	5	115.0938	9.444	5	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:3:	4:4:3:3:	3:4:3:	C[5,6a]-3:N[5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C-3:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]CC)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(COO)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]CC)(C[5]N[5]O){5|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(COO)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	112.8710	0.000	1	115.0938	9.444	5	115.0938	9.444	5	115.0938	9.444	5	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:3:	4:4:3:3:	4:3:2:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-4:C-3:N-3:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5]CN)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[6a]C[5]H)(COO)(NCH)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5]CN)(N[5]C[5]C){1|N<2>,4|C<3>,4|H<1>}	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[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){1|N<3>,3|C<4>,5|C<3>}	114.2250	0.000	1	114.2250	0.000	1	114.2250	0.000	1	114.2250	0.000	1	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:3:	4:4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-4:C-3:N-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5]CN)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[6a]C[5]H)(COO)(NCH)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5]CN)(N[5]C[5]C){1|N<2>,4|C<3>,4|H<1>}	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[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>,2|N<2>,3|C<4>}	113.2940	0.000	1	113.2940	0.000	1	113.2940	0.000	1	113.2940	0.000	1	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:3:	4:4:4:3:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C-4:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CC)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CCHH)(CCO)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CC)(C[5]N[5]O){1|C<4>,1|S<2>,3|C<3>,6|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[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	111.6770	0.447	2	111.6770	0.200	2	111.6770	0.200	2	112.8102	1.862	4	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:3:	4:4:4:3:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C-4:N-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CN)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CH3)(NOO)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CN)(C[5]N[5]O){2|C<4>,3|C<3>,6|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[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|H<1>,4|C<4>}	113.5900	0.000	1	113.5900	0.000	1	113.9435	0.250	2	112.8102	1.862	4	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:3:	4:4:4:3:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C-4:N-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CN)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CHHO)(NOO)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CN)(C[5]N[5]O){2|C<4>,3|C<3>,6|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[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|H<1>,4|C<4>}	114.2970	0.000	1	114.2970	0.000	1	113.9435	0.250	2	112.8102	1.862	4	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:4:	4:2:1:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C[5]-4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]O[5]HH)2	C[5](C[5,5]C[5,6a]2C[5])(O[5]C[5,6a])(H)2	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]O[5]HH)2{2|O<2>,4|C<3>}	C[5](C[5,5]C[5,6a]2C[5])(O[5]C[5,6a])(H)2{1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){1|O<2>,3|C<3>,6|H<1>}	115.6125	0.203	2	115.6125	0.041	2	115.6125	0.041	2	115.6125	0.041	2	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:4:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[5]-4:C[5]-4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]CH)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]CH){1|O<1>,1|S<2>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(H)2{1|C<4>,1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,4|C<3>,6|H<1>}	117.3770	0.000	1	117.3770	0.000	1	113.7210	26.733	2	113.7210	26.733	2	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:4:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[5]-4:C[5]-4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]HH)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]HH){1|O<1>,1|S<2>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(H)2{1|N<3>,1|S<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){4|C<3>,7|H<1>}	110.0650	0.000	1	110.0650	0.000	1	113.7210	26.733	2	113.7210	26.733	2	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:4:	4:3:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-3:C[5]-4:C-4:	C[5,5]-4:C[5,6a]-3:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3){1|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	120.6740	0.000	1	120.6740	0.000	1	120.6740	0.000	1	119.2040	1.706	3	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:4:	4:3:1:1:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-4:C-4:	C[5,5]-4:C[5,6a]-3:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,5|C<3>}	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,4|H<1>}	118.4690	0.413	2	118.4690	0.171	2	118.4690	0.171	2	119.2040	1.706	3	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:4:	4:3:2:1:	4:3:3:	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[5,6a]-3:C[6a]-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)	C[5](C[5,5]C[5,6a]2Ge[5])(C[6a]C[6a]2)(N[5]C[5])(H)	C[5,6a](C[5,5]C[5,6a]Ge[5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]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){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>}	C[5,6a](C[5,5]C[5,6a]Ge[5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,3|H<1>,6|C<3>}	113.3060	1.038	4	113.3060	1.078	4	113.3060	1.078	4	115.0631	8.472	8	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:4:	4:3:2:1:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CH)(CH3)	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5,6a]C[5,6a]C[6a])(CC)(H)	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CH)(CH3){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5,6a]C[5,6a]C[6a])(CC)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,3|C<3>,3|H<1>}	118.1765	0.047	2	118.1765	0.002	2	118.4273	0.190	3	115.0631	8.472	8	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:4:	4:3:2:1:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CH)(CH3)	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5,6a]C[5,6a]C[6a])(CN)(H)	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CH)(CH3){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5,6a]C[5,6a]C[6a])(CN)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,3|C<3>,3|H<1>}	118.9290	0.000	1	118.9290	0.000	1	118.4273	0.190	3	115.0631	8.472	8	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:4:	4:3:2:1:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-4:C-4:	C[5,5]-4:C[5]-3:C-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(C[5]C[5]CH)(CH3)	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5]C[5]C)(CN)(H)	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(C[5]C[5]CH)(CH3){2|O<1>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5]C[5]C)(CN)(H){1|S<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|C<3>,2|O<1>,3|H<1>}	111.9990	0.000	1	111.9990	0.000	1	111.9990	0.000	1	115.0631	8.472	8	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:4:	4:3:4:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)	C[5](C[5,5]C[5,6a]2C[5,5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,6a](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]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){1|C<4>,2|O<1>,4|H<1>,8|C<3>}	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[5,6a](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	116.3225	1.152	2	116.3225	1.327	2	116.3225	1.327	2	116.6285	0.578	4	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:4:	4:3:4:1:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CH)(CCHH)	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5,6a]C[5,6a]C[6a])(CCHH)(H)	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CH)(CCHH){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5,6a]C[5,6a]C[6a])(CCHH)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	116.9345	0.179	2	116.9345	0.032	2	116.9345	0.032	2	116.6285	0.578	4	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:4:	4:3:4:2:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C-4:C-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CC)(CH3)	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5,6a]C[5,6a]C[6a])(CCHH)(CN)	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CC)(CH3){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5,6a]C[5,6a]C[6a])(CCHH)(CN){1|H<1>,5|C<3>}	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,2|H<1>,3|C<3>}	118.7900	0.917	3	118.7900	0.841	3	118.7900	0.841	3	118.7900	0.841	3	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C[5]-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]CH)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2{2|C<4>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]CH)(H)2{1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]H){1|Br<1>,2|C<4>,3|C<3>,5|H<1>}	113.2725	2.212	4	113.1856	2.465	8	113.2843	1.675	12	113.2142	2.085	15	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C[5]-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]CH)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2{2|C<4>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]CH)(H)2{1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]H){2|C<4>,3|C<3>,6|H<1>}	113.0987	0.915	4	113.1856	2.465	8	113.2843	1.675	12	113.2142	2.085	15	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C[5]-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2{4|C<3>,6|H<1>}	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]HH)(H)2{4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]H){1|Br<1>,2|C<4>,3|C<3>,5|H<1>}	113.4815	0.560	4	113.4815	0.313	4	113.2843	1.675	12	113.2142	2.085	15	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[5]-4:C[5]-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CC)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[5]C[5]CH)(C[5]C[5]HH){3|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CC)(H)2{1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){2|C<3>,3|C<4>,5|H<1>}	111.6670	0.914	2	111.6670	0.835	2	111.6670	0.835	2	113.2142	2.085	15	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:N[5]-3:C[5]-4:C[5]-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]HO)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]HO){1|O<1>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	115.4680	0.000	1	115.4680	0.000	1	115.4680	0.000	1	113.2142	2.085	15	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C[5]-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]CC)(H)2	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2{2|Br<1>,4|C<3>,4|C<4>}	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]CC)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]Br){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	111.2650	1.123	2	111.2650	1.261	2	111.8302	0.979	40	111.9205	1.289	41	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C[5]-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]CC)(H)2	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2{4|C<4>,6|C<3>}	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]CC)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C[5]){1|N<2>,1|O<2>,3|C<3>,3|C<4>,6|H<1>}	111.9085	0.575	6	111.9085	0.331	6	111.8302	0.979	40	111.9205	1.289	41	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C[5]-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]CC)(H)2	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2{2|H<1>,4|C<3>,4|C<4>}	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]CC)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	112.3854	0.802	16	112.3854	0.644	16	111.8302	0.979	40	111.9205	1.289	41	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C[5]-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2{2|C<4>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|C<4>,1|O<2>,3|C<3>,7|H<1>}	110.1470	0.696	2	110.2190	0.683	4	111.8302	0.979	40	111.9205	1.289	41	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C[5]-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2{2|C<4>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|C<4>,3|C<3>,8|H<1>}	110.2910	1.243	2	110.2190	0.683	4	111.8302	0.979	40	111.9205	1.289	41	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C[5]-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2{2|O<2>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|Br<1>,1|C<4>,3|C<3>,7|H<1>}	111.7470	0.157	2	111.6819	0.663	12	111.8302	0.979	40	111.9205	1.289	41	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C[5]-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2{2|O<2>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|C<4>,3|C<3>,8|H<1>}	111.6226	0.797	7	111.6819	0.663	12	111.8302	0.979	40	111.9205	1.289	41	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C[5]-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2{2|O<2>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|C<4>,4|C<3>,7|H<1>}	111.0245	0.022	2	111.6819	0.663	12	111.8302	0.979	40	111.9205	1.289	41	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C[5]-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2{2|O<2>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|Cl<1>,1|C<4>,3|C<3>,7|H<1>}	113.2820	0.000	1	111.6819	0.663	12	111.8302	0.979	40	111.9205	1.289	41	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5a]-3:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5,5]N[5,6]N[5]H)(C[5]C[5,6]HH)	C[5](C[5,5]C[5,6a]C[5,5]C[5a])(C[5,6]N[5,6]C[6]S)(H)2	C[5,6a](C[5,5]C[5,5]C[5a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5,5]N[5,6]N[5]H)(C[5]C[5,6]HH){1|N<3>,1|S<2>,3|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5a])(C[5,6]N[5,6]C[6]S)(H)2{1|H<1>,1|O<1>,2|N<3>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	115.5330	0.000	1	115.5330	0.000	1	115.5330	0.000	1	111.9205	1.289	41	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:4:	4:4:2:1:	4:3:3:	C[5,6a]-3:C[5a]-3:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6]-4:O-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5,5]N[5,6]N[5]H)(C[5]C[5,6]HO)	C[5](C[5,5]C[5,6a]C[5,5]C[5a])(C[5,6]N[5,6]C[6]O)(OC)(H)	C[5,6a](C[5,5]C[5,5]C[5a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5,5]N[5,6]N[5]H)(C[5]C[5,6]HO){1|N<3>,1|O<2>,1|S<4>,2|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5a])(C[5,6]N[5,6]C[6]O)(OC)(H){1|H<1>,1|O<1>,2|N<3>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,1|S<4>,3|C<3>,4|H<1>}	108.2310	0.000	1	108.2310	0.000	1	108.2310	0.000	1	108.2310	0.000	1	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:4:	4:4:4:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[5]-4:C[5]-4:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CCHH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[5]C[5]CH)(C[5]C[5]HH){3|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CCHH)(H){1|N<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){2|C<3>,3|C<4>,5|H<1>}	113.5235	0.138	2	113.5235	0.019	2	113.5235	0.019	2	113.5235	0.019	2	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:4:	4:4:4:4:	4:3:3:	C[5,6a]-3:C[5,5]-3:C[5]-4:C-4:	C[5,5]-4:C[5]-4:C-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2)(C[5]C[5]CC)(CCCH)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]C[5]CH)(CH3)2	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2)(C[5]C[5]CC)(CCCH){4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]C[5]CH)(CH3)2{2|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,2|C<3>,5|C<4>}	118.2400	0.000	1	118.2400	0.000	1	118.2400	0.000	1	118.2400	0.000	1	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:2:2:	3:4:4:1:	3:4:3:	C[5,6a]-3:C[5]-4:O[5]-2:O[5]-2:	C[5,6a]-3:C[5,5]-4:C-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(O[5]C[5,6a])(O[5]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]2)(CC[5a]HH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(O[5]C[5,6a])(O[5]C[5]){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]2)(CC[5a]HH)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	117.1260	0.000	1	117.1260	0.000	1	117.1260	0.000	1	117.1260	0.000	1	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:2:2:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:O[5]-2:O[5]-2:	C[5,5]-4:C[5]-4:Cl-1:Cl-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Cl2)(O[5]C[5])2	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5]HH)(Cl)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Cl2)(O[5]C[5])2{1|O<1>,2|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5]HH)(Cl)2{2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H){2|Cl<1>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	118.7550	0.000	1	118.7550	0.000	1	118.7550	0.000	1	118.7732	0.030	4	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:2:2:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:O[5]-2:O[5]-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O[5]C[5,6])(O[5]C[5])	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5,6]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O[5]C[5,6])(O[5]C[5]){1|C<4>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5,6]HH)(H)2{1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H){1|C<3>,3|C<4>,5|H<1>}	118.9480	0.000	1	118.9480	0.000	1	118.7793	0.045	3	118.7732	0.030	4	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:2:2:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:O[5]-2:O[5]-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O[5]C[5])(O[5]N[5])	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[6a]N[5]H)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O[5]C[5])(O[5]N[5]){1|O<1>,2|H<1>,4|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[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	118.8480	0.000	1	118.8480	0.000	1	118.7793	0.045	3	118.7732	0.030	4	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:2:2:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:O[5]-2:O[5]-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O[5]C[5])(O[5]N[5])	C[5](C[5,5]C[5,6a]O[5]2)(C[5]N[5]CH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O[5]C[5])(O[5]N[5]){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]O[5]2)(C[5]N[5]CH)(H)2{4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	118.5420	0.000	1	118.5420	0.000	1	118.7793	0.045	3	118.7732	0.030	4	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:2:2:	4:4:2:1:	3:4:3:	C[5,6a]-3:C[5]-4:O[5]-2:O[5]-2:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])2	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5]HH)(OH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])2{1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5]HH)(OH)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,2|C<4>,3|O<2>}	119.7120	0.000	1	119.7120	0.000	1	119.7120	0.000	1	119.7120	0.000	1	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:2:2:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:O[5]-2:O[5]-2:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O[5]C[5])2	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5]CC)(COO)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]C)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O[5]C[5])2{1|H<1>,1|O<1>,2|C<3>,4|C<4>}	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5]CC)(COO)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]C){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	120.2160	0.000	1	120.2160	0.000	1	120.2160	0.000	1	120.2160	0.000	1	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:2:3:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:O[5]-2:C[5]-3:	C[5,5]-4:C[5,5]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(O[5]C[5,5])(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,5]C[5,5]C[5])(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(O[5]C[5,5])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,5]C[5,5]C[5])(H)2{1|C<4>,1|O<1>,1|O<2>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	114.8010	0.000	1	114.8010	0.000	1	114.8010	0.000	1	114.8010	0.000	1	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:2:3:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:O[5]-2:C[5]-3:	C[5,5]-4:C[5,6]-3:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(O[5]C[5,6])(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5,6]C[6])(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(O[5]C[5,6])(C[5]N[5]O){1|H<1>,2|C<4>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5,6]C[6])(CC[6a]O)(H){1|N<3>,2|C<3>,2|C<4>,2|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	117.7750	0.000	1	117.7750	0.000	1	118.6625	1.575	2	118.5762	0.450	5	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:2:3:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:O[5]-2:C[5]-3:	C[5,5]-4:C[5,6]-3:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(O[5]C[5,6])(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5,6]C[6])(COO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(O[5]C[5,6])(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5,6]C[6])(COO)(H){1|N<3>,2|C<3>,2|C<4>,2|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	119.5500	0.000	1	119.5500	0.000	1	118.6625	1.575	2	118.5762	0.450	5	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:2:3:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:O[5]-2:C[5]-3:	C[5,5]-4:C[5,6]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a]H)(O[5]C[5,6])(C[5]N[5]O)	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]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){1|H<1>,2|C<4>,5|C<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){1|N<3>,2|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	118.4825	0.436	2	118.4825	0.190	2	118.4825	0.190	2	118.5762	0.450	5	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:2:3:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:O[5]-2:C[5]-3:	C[5,5]-4:N[5,5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5,5]C[6a]H)(O[5]C[5,5])(C[5]N[5]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)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]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){2|H<1>,3|C<4>,4|C<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){1|N<3>,1|O<1>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	118.5910	0.000	1	118.5910	0.000	1	118.5910	0.000	1	118.5762	0.450	5	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:2:3:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:O[5]-2:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(O[5]C[5,6a])(N[5]C[5]C)	C[5](C[5,5]C[5,6a]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(O[5]C[5,6a])(N[5]C[5]C){1|H<1>,1|O<1>,6|C<3>}	C[5](C[5,5]C[5,6a]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,7|C<3>}	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	112.7070	0.352	2	112.7070	0.124	2	112.7070	0.124	2	112.7070	0.124	2	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:2:3:	4:3:4:1:	3:4:3:	C[5,6a]-3:C[5]-4:O[5]-2:C[5]-3:	C[5,5]-4:C[5,6a]-3:C-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(O[5]C[5,6a])(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(CCHH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(O[5]C[5,6a])(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	117.1125	2.622	4	117.1125	6.877	4	117.1125	6.877	4	117.1125	6.877	4	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:2:3:	4:3:4:3:	3:4:3:	C[5,6a]-3:C[5]-4:O[5]-2:C[5]-3:	C[5,5]-4:C[5,5a]-3:C-4:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5a]CC)(O[5]C[5,5a])(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,5a]C[5,5a]C[5a])(CF3)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5a]CC)(O[5]C[5,5a])(C[5]N[5]O){1|H<1>,1|N<3>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,5a]C[5,5a]C[5a])(CF3)(COO){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	122.8870	0.000	1	122.8870	0.000	1	122.8870	0.000	1	122.8870	0.000	1	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:2:3:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:O[5]-2:C[5]-3:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(O[5]C[5,6])(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5,6]C[6]C)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(O[5]C[5,6])(C[5]N[5]O){2|C<3>,2|H<1>,4|C<4>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5,6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	116.5890	0.000	1	116.5890	0.000	1	117.3070	1.031	2	117.3070	1.031	2	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:2:3:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:O[5]-2:C[5]-3:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(O[5]C[5,6])(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(O[5]C[5,6])(C[5]N[5]O){2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5,6]C[6]H)(H)2{1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<3>,1|F<1>,1|O<1>,3|C<4>,3|H<1>}	118.0250	0.000	1	118.0250	0.000	1	117.3070	1.031	2	117.3070	1.031	2	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:2:3:	4:4:4:1:	3:4:3:	C[5,6a]-3:C[5]-4:O[5]-2:C[5]-3:	C[5,5]-4:C[5,6]-4:C-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(O[5]N[5,6])(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]N[5,6]C[6]H)(CH3)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(O[5]N[5,6])(C[5]N[5]O){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]N[5,6]C[6]H)(CH3)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	117.0240	0.000	1	117.0240	0.000	1	117.0240	0.000	1	117.0240	0.000	1	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:2:3:	4:4:4:4:	3:4:3:	C[5,6a]-3:C[5]-4:O[5]-2:C[5]-3:	C[5,5]-4:C[5,6]-4:C-4:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CC)(O[5]C[5,6])(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5,6]C[6]H)(CH3)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]C[6])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CC)(O[5]C[5,6])(C[5]N[5]O){2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5,6]C[6]H)(CH3)2{1|C<4>,1|H<1>,1|N<3>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]C[6]){1|O<1>,2|H<1>,3|C<3>,6|C<4>}	115.5050	0.000	1	115.5050	0.000	1	115.5050	0.000	1	115.5050	0.000	1	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:1:	4:3:3:3:	4:3:3:	C[5,6a]-3:C[5]-4:N[5,5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]C)(N[5,5]C[5,6a]C[5])(H)	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[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]C)(N[5,5]C[5,6a]C[5])(H){1|C<4>,2|H<1>,6|C<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){1|C<4>,3|H<1>,6|C<3>}	C[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	119.3480	0.000	1	119.3480	0.000	1	119.3480	0.000	1	119.3480	0.000	1	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:1:	4:3:4:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[5,5]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]C[5]2)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]C[5]2)(H){2|C<4>,3|H<1>,5|C<3>}	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[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	122.9022	0.692	4	122.9022	0.479	4	122.9022	0.479	4	122.9022	0.479	4	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:1:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:N[5,5]-3:H-1:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a]H)(N[5,5]C[5,6]S[5])(H)	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[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]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[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[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	117.8000	0.000	1	117.8000	0.000	1	117.8000	0.000	1	117.8000	0.000	1	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:2:	4:2:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(O[5]C[5])(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(C[5]N[5]O)(O[5]C[5]){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5,5]C[5,6a]C[5]O[5])(O[5]C[5])(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<3>,1|F<1>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	115.0920	0.000	1	115.0920	0.000	1	115.0920	0.000	1	115.0920	0.000	1	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:2:	4:2:2:2:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:O[5]-2:C-2:C-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(O[5]C[5])(CN)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(C[5]N[5]O)(O[5]C[5]){2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(O[5]C[5])(CN)2{1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<2>}	116.3030	0.000	1	115.4676	5.908	5	115.4676	5.908	5	115.4676	5.908	5	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:2:	4:2:2:2:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:O[5]-2:C-2:C-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(O[5]C[5])(CN)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(C[5]N[5]O)(O[5]C[5]){3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(O[5]C[5])(CN)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|C<2>,3|H<1>}	114.8930	0.000	1	115.4676	5.908	5	115.4676	5.908	5	115.4676	5.908	5	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:2:	4:2:2:2:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:O[5]-2:C-2:C-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(O[5]C[5])(CN)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(C[5]N[5]O)(O[5]C[5]){3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(O[5]C[5])(CN)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|C<2>,2|H<1>}	115.3807	3.360	3	115.4676	5.908	5	115.4676	5.908	5	115.4676	5.908	5	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:2:	4:2:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:N[5]-2:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5])(COO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5])(COO)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,3|H<1>,4|C<3>}	118.2770	0.000	1	118.2770	0.000	1	118.2770	0.000	1	118.2770	0.000	1	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:2:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-2:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5]O)(H)2{1|C<4>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	116.6640	0.000	1	116.6640	0.000	1	116.6640	0.000	1	117.7970	1.929	4	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:2:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]C)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]C)(H)2{1|N<3>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<4>,1|I<1>,1|O<1>,3|C<3>,3|H<1>}	117.3695	0.431	2	117.3695	0.185	2	118.1747	2.038	3	117.7970	1.929	4	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:2:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]O)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]O)(H)2{1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	119.7850	0.000	1	119.7850	0.000	1	118.1747	2.038	3	117.7970	1.929	4	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:2:	4:3:2:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:O-2:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HO)(C[5]C[5,6a]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(OH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HO)(C[5]C[5,6a]O)(O[5]C[5]){1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(OH)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|O<1>,2|O<2>,3|C<3>,4|H<1>}	116.1343	2.253	7	116.1343	5.078	7	116.1343	5.078	7	116.1343	5.078	7	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:2:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-2:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]N[5]O)(N[5]C[5])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]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]){1|C<4>,1|H<1>,1|S<1>,1|S<4>,4|C<3>}	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	116.8630	0.000	1	116.8630	0.000	1	116.8630	0.000	1	116.3989	3.469	9	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:2:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]N[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]N[5]){1|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|Br<1>,1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,3|H<1>,4|C<3>}	117.5960	0.000	1	117.5960	0.000	1	117.5960	0.000	1	116.3989	3.469	9	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:2:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(O[5]N[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(O[5]N[5]){2|H<1>,6|C<3>}	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	115.5600	0.000	2	115.5600	0.000	2	116.1616	4.285	7	116.3989	3.469	9	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:2:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]C[5]){1|C<2>,1|C<4>,1|H<1>,1|N<3>,4|C<3>}	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	119.7700	0.000	1	117.7847	5.167	3	116.1616	4.285	7	116.3989	3.469	9	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:2:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	118.2790	0.000	1	117.7847	5.167	3	116.1616	4.285	7	116.3989	3.469	9	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:2:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|H<1>,6|C<3>}	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	115.3050	0.000	1	117.7847	5.167	3	116.1616	4.285	7	116.3989	3.469	9	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:2:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]N[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]N[5]){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	114.2100	0.000	1	114.3285	0.028	2	116.1616	4.285	7	116.3989	3.469	9	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:2:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]N[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]N[5]){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	114.4470	0.000	1	114.3285	0.028	2	116.1616	4.285	7	116.3989	3.469	9	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:2:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:N[5]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(N[5]C[5]C[6])(O[5]C[5,6a])	C[5](C[5,5]C[5,6a]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(N[5]C[5]C[6])(O[5]C[5,6a]){1|O<1>,2|C<4>,2|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,7|C<3>}	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	113.6280	0.000	1	113.6280	0.000	1	113.6280	0.000	1	113.6280	0.000	1	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:2:	4:3:4:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-2:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	116.1980	0.000	1	116.1980	0.000	1	116.1980	0.000	1	116.4428	1.307	14	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:2:	4:3:4:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[5]C[5,6a]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(CCHH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[5]C[5,6a]O)(O[5]C[5]){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	115.4560	0.000	1	115.4560	0.000	1	115.4560	0.000	1	116.4428	1.307	14	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:2:	4:3:4:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]Br)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]C[5]){1|Br<1>,1|C<4>,1|O<1>,2|H<1>,4|C<3>}	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]Br){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	117.7800	0.000	1	117.7800	0.000	1	116.5454	1.440	12	116.4428	1.307	14	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:2:	4:3:4:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]Cl)	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[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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]Cl){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	116.9810	0.000	1	116.9810	0.000	1	116.5454	1.440	12	116.4428	1.307	14	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:2:	4:3:4:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|Br<1>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	116.6955	0.248	2	116.1461	1.123	9	116.5454	1.440	12	116.4428	1.307	14	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:2:	4:3:4:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	114.0580	0.000	1	116.1461	1.123	9	116.5454	1.440	12	116.4428	1.307	14	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:2:	4:3:4:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	116.3110	0.871	6	116.1461	1.123	9	116.5454	1.440	12	116.4428	1.307	14	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:2:	4:3:4:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]O[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]C)	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[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[5,6a](C[5,6a]C[6a]O[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]C){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	118.4690	0.000	1	118.4690	0.000	1	116.5454	1.440	12	116.4428	1.307	14	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:2:	4:3:4:3:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:C[6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-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])	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	118.1870	0.000	1	118.1870	0.000	1	118.1870	0.000	1	120.5595	11.258	2	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:2:	4:3:4:3:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:N[5]-3:C-4:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5]H)(CH3)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|S<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5]H)(CH3)(COO){1|N<3>,1|O<1>,1|S<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	122.9320	0.000	1	122.9320	0.000	1	122.9320	0.000	1	120.5595	11.258	2	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:2:	4:3:4:4:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:C[6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-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])	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(C[5]N[5]O)(O[5]C[5]){1|O<1>,4|C<3>,4|H<1>}	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	118.0880	0.000	1	118.0880	0.000	1	118.0880	0.000	1	118.0880	0.000	1	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:2:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(O[5]C[5]){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH)(H)2{1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|Br<1>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	119.2750	0.000	1	119.2750	0.000	1	118.7450	0.562	2	118.7450	0.562	2	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:2:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[6a]C[5]H)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(O[5]C[5]){1|C<4>,3|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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	118.2150	0.000	1	118.2150	0.000	1	118.7450	0.562	2	118.7450	0.562	2	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:2:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-2:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]N[5]O)(N[5]C[5])	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]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]){1|C<4>,1|H<1>,1|S<2>,6|C<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){1|C<4>,1|N<2>,1|S<2>,2|H<1>,2|N<3>,2|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	116.9550	0.000	2	116.9550	0.000	2	116.9550	0.000	2	118.9139	5.495	13	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:2:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-2:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a]H)(C[5]N[5]O)(N[5]C[5])	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]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]){1|C<4>,1|H<1>,1|S<2>,6|C<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){1|S<2>,2|H<1>,3|N<3>,3|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	123.2015	0.709	2	123.2015	0.503	2	123.2015	0.503	2	118.9139	5.495	13	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:2:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-2:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH)(COO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]){2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH)(COO)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	116.1060	0.000	1	116.1060	0.000	1	118.6531	2.650	7	118.9139	5.495	13	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:2:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-2:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(CC[6a]O)(H){1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	120.0350	0.000	1	120.0350	0.000	1	118.6531	2.650	7	118.9139	5.495	13	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:2:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-2:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(COO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(COO)(H){1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	119.1590	0.000	2	118.2887	2.272	3	118.6531	2.650	7	118.9139	5.495	13	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:2:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-2:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(COO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]){3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(COO)(H){1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	116.5480	0.000	1	118.2887	2.272	3	118.6531	2.650	7	118.9139	5.495	13	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:2:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-2:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]N[5])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5]CH)(COO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]N[5]){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5]CH)(COO)(H){1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,3|C<3>,3|H<1>}	119.8380	0.000	1	119.7825	0.006	2	118.6531	2.650	7	118.9139	5.495	13	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:2:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-2:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]N[5])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5]CH)(COO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]N[5]){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5]CH)(COO)(H){1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	119.7270	0.000	1	119.7825	0.006	2	118.6531	2.650	7	118.9139	5.495	13	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:2:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]CH)(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(O[5]C[5]){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]CH)(CC[6a]O)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	116.9440	0.000	1	116.9440	0.000	1	117.4980	0.614	2	118.9139	5.495	13	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:2:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]CH)(COO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]CH)(COO)(H){1|N<3>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<1>,3|C<3>,3|H<1>}	118.0520	0.000	1	118.0520	0.000	1	117.4980	0.614	2	118.9139	5.495	13	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:2:	4:4:3:3:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-4:C-3:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH)(COO)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(O[5]C[5]){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH)(COO)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,3|C<3>,3|C<4>}	120.2610	0.000	1	120.2610	0.000	1	120.2610	0.000	1	120.2610	0.000	1	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:2:	4:4:4:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH)(CH3)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH)(CH3)(H){1|N<3>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|Br<1>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	115.4340	0.000	1	116.7320	3.370	2	117.2575	2.272	4	117.2575	2.272	4	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:2:	4:4:4:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH)(CH3)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH)(CH3)(H){1|N<3>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	118.0300	0.000	1	116.7320	3.370	2	117.2575	2.272	4	117.2575	2.272	4	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:2:	4:4:4:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]SiH)(CH3)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(O[5]C[5]){1|Si<4>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]SiH)(CH3)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<3>,1|I<1>,1|O<1>,2|H<1>,4|C<4>}	117.7830	1.530	2	117.7830	2.341	2	117.2575	2.272	4	117.2575	2.272	4	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	3:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5,5]-4:	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[5]O[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(H)2	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5,5]C[5]3)	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[5]O[5]O){5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(H)2{1|H<1>,1|O<2>,2|O<1>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5,5]C[5]3){2|O<1>,4|H<1>,5|C<3>}	119.4340	0.000	2	119.4340	0.000	2	119.4340	0.000	2	119.4340	0.000	2	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	3:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:N[5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:Br-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]BrH)(N[5]C[5,6a]C)(N[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]N[5]2)(Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]N[5]2)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]BrH)(N[5]C[5,6a]C)(N[5]C[5]C){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]N[5]2)(Br)(H){1|C<4>,1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]N[5]2)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<1>,3|H<1>,4|C<3>}	110.9470	0.000	1	110.9470	0.000	1	111.3848	7.259	5	111.3848	7.259	5	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	3:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:N[5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:Br-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]BrH)(N[5]C[6a]C[5])(N[5]C[5,6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]N[5]2)(Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]N[5]2)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]BrH)(N[5]C[6a]C[5])(N[5]C[5,6a]C){1|H<1>,1|O<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]N[5]2)(Br)(H){1|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]N[5]2)(C[6a]C[6a]H){1|Br<1>,1|O<1>,3|H<1>,5|C<3>}	111.4942	3.098	4	111.4942	9.598	4	111.3848	7.259	5	111.3848	7.259	5	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	3:4:4:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(CCHH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[5]C[5]C){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(CCHH)(H){1|H<1>,1|O<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|F<1>,1|O<1>,3|H<1>,4|C<3>}	114.8170	0.000	1	114.8170	0.000	1	114.8170	0.000	1	114.8170	0.000	1	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	3:4:4:2:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:O-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CO)(C[5]C[5,6a]O)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(CH3)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CO)(C[5]C[5,6a]O)(C[5]C[5]C){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(CH3)(OH){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	111.4470	0.000	1	111.4470	0.000	1	111.4470	0.000	1	111.4470	0.000	1	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:2:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:O[5]-2:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5])(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(C[5]C[5]C)(C[5]N[5]O){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5])(CC[6a]O)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	114.0760	0.000	1	115.3153	1.868	3	115.1212	1.005	5	115.1212	1.005	5	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:2:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:O[5]-2:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5])(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(C[5]C[5]C)(C[5]N[5]O){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5])(CC[6a]O)(H){1|C<2>,1|O<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<2>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	115.9350	1.196	2	115.3153	1.868	3	115.1212	1.005	5	115.1212	1.005	5	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:2:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:O[5]-2:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5])(COO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(C[5]C[5]C)(C[5]N[5]O){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5])(COO)(H){1|C<2>,1|O<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<2>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	114.8300	0.000	2	114.8300	0.000	2	115.1212	1.005	5	115.1212	1.005	5	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:2:4:3:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:O[5]-2:C-4:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5])(CF3)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5])(CF3)(COO){1|C<2>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Br<1>,1|C<2>,1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	114.9510	0.000	1	114.9510	0.000	1	114.9510	0.000	1	114.9510	0.000	1	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]C[5]O)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5])(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]C[5]O)(C[5]N[5]O){1|Si<4>,1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5])(H)2{1|Si<4>,1|N<3>,2|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,2|O<1>,3|C<3>,4|H<1>}	118.0670	0.066	2	118.0670	0.004	2	118.5178	0.281	4	116.7481	3.421	11	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(H)2{1|C<4>,1|N<3>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>,2|O<1>,3|H<1>}	118.9685	0.159	2	118.9685	0.025	2	118.5178	0.281	4	116.7481	3.421	11	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]S)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<2>,1|S<4>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]S)(H)2{1|C<2>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|C<2>,1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	114.8050	0.000	1	115.8830	2.324	2	115.8830	2.324	2	116.7481	3.421	11	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]S)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]S)(H)2{1|C<2>,1|O<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|C<2>,1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	116.9610	0.000	1	115.8830	2.324	2	115.8830	2.324	2	116.7481	3.421	11	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|H<1>,2|C<3>,2|O<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|O<1>,5|H<1>}	116.9140	0.000	1	116.9140	0.000	1	116.0733	2.727	4	116.7481	3.421	11	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]N)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]N){1|C<4>,1|H<1>,2|C<3>,2|O<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5]O)(H)2{1|C<4>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|N<3>,2|O<1>,3|H<1>}	117.9680	0.000	1	117.9680	0.000	1	116.0733	2.727	4	116.7481	3.421	11	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]S)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]C)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]S){1|C<4>,1|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]C)(H)2{1|N<3>,1|O<1>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|S<4>,3|C<3>,4|H<1>}	114.4390	0.000	1	114.4390	0.000	1	116.0733	2.727	4	116.7481	3.421	11	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]N[5]S)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]N[5])(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]N[5]S){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]N[5])(H)2{1|N<3>,1|O<1>,1|S<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,1|S<4>,2|C<3>,4|H<1>}	114.9720	0.000	1	114.9720	0.000	1	116.0733	2.727	4	116.7481	3.421	11	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:N[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(N[5]C[5,6a]H)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(N[5]C[5,6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(H)2{1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	114.0990	0.000	1	114.0990	0.000	1	114.0990	0.000	1	116.7481	3.421	11	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:3:2:3:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[6a]-3:O[5]-2:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-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)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(O[5]C[5])(CCC)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	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[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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Br<1>,1|C<2>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	116.4420	1.877	2	116.4420	3.522	2	116.4420	3.522	2	116.4970	1.770	3	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:3:2:3:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[6a]-3:N[5]-2:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-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)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5])(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	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[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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,1|N<2>,1|O<1>,5|C<3>}	116.6070	0.000	1	116.6070	0.000	1	116.6070	0.000	1	116.4970	1.770	3	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(COO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(COO)(H){1|C<2>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,3|H<1>,4|C<3>}	117.1290	0.000	1	117.1290	0.000	1	117.1290	0.000	1	116.5545	8.176	17	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:N[5]-3:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(C[5]C[5]H)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]S)(CCC)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(C[5]C[5]H)(C[5]N[5]O){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]S)(CCC)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	116.7065	0.541	2	116.7065	0.293	2	118.4955	4.435	4	116.5545	8.176	17	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:N[5]-3:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(C[5]N[5]O)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5]N[5]C)(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(C[5]N[5]O)2{1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]N[5]C)(CC[6a]O)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	120.6090	0.000	1	120.6090	0.000	1	118.4955	4.435	4	116.5545	8.176	17	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:N[5]-3:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(C[5]N[5]O)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5]N[5]C)(COO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(C[5]N[5]O)2{1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]N[5]C)(COO)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	119.9600	0.000	1	119.9600	0.000	1	118.4955	4.435	4	116.5545	8.176	17	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-3:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]N[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5]C)(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]N[5]H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5]C)(CC[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,3|C<3>,4|H<1>}	120.2940	0.000	1	120.2940	0.000	1	118.3305	7.711	2	116.5545	8.176	17	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-3:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]N[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5]P)(COO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]N[5]H){1|P<4>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5]P)(COO)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,3|C<3>,5|H<1>}	116.3670	0.000	1	116.3670	0.000	1	118.3305	7.711	2	116.5545	8.176	17	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]N[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]N[5]P)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]N[5]H){1|P<4>,2|H<1>,4|C<3>}	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,3|C<3>,5|H<1>}	116.0930	1.308	2	116.0930	1.711	2	116.0930	1.711	2	116.5545	8.176	17	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]N[5]O)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]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){1|C<4>,1|H<1>,1|N<3>,1|S<1>,4|C<3>}	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	118.6250	0.000	1	118.6250	0.000	1	118.6250	0.000	1	116.5545	8.176	17	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:N[5]-3:C[5]-3:	C[5,5]-4:C[5,5a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5a]C[6a]H)(N[5]C[5,5a]S)(C[5]N[5]O)	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]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){1|O<2>,2|H<1>,5|C<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){1|N<3>,1|O<1>,1|S<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,1|S<4>,3|H<1>,4|C<3>}	113.7430	0.000	1	113.7430	0.000	1	113.7430	0.000	1	116.5545	8.176	17	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:N[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[5]N[5]O)	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]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){1|H<1>,8|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,3|H<1>,5|C<3>}	116.0527	3.540	3	116.0527	12.535	3	116.0527	12.535	3	116.5545	8.176	17	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:N[5]-3:C[5]-3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(N[5]C[5,5]C)(C[5]N[5]O)	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]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){1|C<4>,2|H<1>,6|C<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){1|C<4>,1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	115.5580	0.826	2	115.5580	0.682	2	113.6473	11.293	3	116.5545	8.176	17	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:N[5]-3:C[5]-3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]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){1|C<4>,1|S<4>,2|H<1>,7|C<3>}	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	109.8260	0.000	1	109.8260	0.000	1	113.6473	11.293	3	116.5545	8.176	17	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	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[5,6a]-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[5,6a](C[5,5]N[5,5]C[6a]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]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[5,6a](C[5,5]N[5,5]C[6a]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,6|C<3>}	118.4820	0.000	1	118.4820	0.000	1	118.4820	0.000	1	118.4820	0.000	1	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:3:4:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]N[5])(C[5]C[6a]C[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]N[5])(C[5]C[6a]C[5]H)(H){1|H<1>,1|N<3>,1|O<1>,1|S<4>,7|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	114.8560	0.000	1	114.8560	0.000	1	114.8560	0.000	1	116.3408	9.421	17	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:3:4:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]N[5]O)	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]N[5]O){4|H<1>,5|C<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){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	117.4900	0.000	1	117.4900	0.000	1	117.4140	0.232	5	116.3408	9.421	17	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:3:4:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]N[5]O)	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,3|H<1>,5|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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	117.8020	0.143	2	117.8020	0.020	2	117.4140	0.232	5	116.3408	9.421	17	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:3:4:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]O[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]O[5]O){4|C<3>,4|H<1>}	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[5,6a](C[5,6a]C[6a]O[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	116.6430	0.000	1	116.6430	0.000	1	117.4140	0.232	5	116.3408	9.421	17	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:3:4:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)2	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)2{1|C<4>,1|S<4>,3|H<1>,4|C<3>}	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|O<1>,3|H<1>}	117.3330	0.000	1	117.3330	0.000	1	117.4140	0.232	5	116.3408	9.421	17	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:3:4:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5a]H)(C[5]N[5]O)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5a]C[5a]O[5a])(C[5,5]C[5]3)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5a]H)(C[5]N[5]O)(N[5]C[5]H){1|H<1>,1|O<2>,1|S<1>,2|C<4>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5a]C[5a]O[5a])(C[5,5]C[5]3)(H){1|N<3>,1|S<1>,2|O<1>,4|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	120.8200	0.000	1	120.8200	0.000	1	120.8200	0.000	1	116.3408	9.421	17	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:3:4:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(C[5]N[5]O)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5a]C[5a]S[5a])(C[5]C[5]HH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|O<2>,1|S<2>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5a]C[5a]S[5a])(C[5]C[5]HH)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	111.4830	0.000	1	111.4830	0.000	1	111.4830	0.000	1	116.3408	9.421	17	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:3:4:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	115.7415	0.757	2	115.8730	0.339	3	115.9517	12.103	9	116.3408	9.421	17	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:3:4:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	116.1360	0.000	1	115.8730	0.339	3	115.9517	12.103	9	116.3408	9.421	17	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:3:4:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	115.7500	0.000	1	115.7500	0.000	1	115.9517	12.103	9	116.3408	9.421	17	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:3:4:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]2H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,3|H<1>,6|C<3>}	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	113.5170	0.010	2	113.5170	0.000	2	115.9517	12.103	9	116.3408	9.421	17	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:3:4:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|H<1>,1|S<1>,6|C<3>}	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	124.7680	0.000	1	124.7680	0.000	1	115.9517	12.103	9	116.3408	9.421	17	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:3:4:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|S<1>,2|H<1>,5|C<3>}	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	113.7810	0.000	1	113.7810	0.000	1	115.9517	12.103	9	116.3408	9.421	17	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:3:4:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	114.6130	0.000	1	114.6130	0.000	1	115.9517	12.103	9	116.3408	9.421	17	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	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[5,6a]-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[5,6a](C[5,5]N[5,5]C[6a]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]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[5,6a](C[5,5]N[5,5]C[6a]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|O<1>,3|H<1>,5|C<3>}	115.4130	0.874	2	115.4130	0.764	2	115.4130	0.764	2	115.4130	0.764	2	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:3:4:3:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:N[5]-3:C-4:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(C[5]N[5]O)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5]S)(CH3)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|H<1>,1|S<1>,1|S<4>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5]S)(CH3)(COO){1|H<1>,1|N<3>,1|O<1>,1|S<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	115.1520	0.000	1	115.1520	0.000	1	115.1520	0.000	1	115.1520	0.000	1	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-4:H-1:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5,5]-4:	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(C[5]C[5]O)(C[5]O[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(H)2	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5,5]C[5]3)	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(C[5]C[5]O)(C[5]O[5]O){3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5,5]C[5]3){2|C<4>,2|O<1>,3|C<3>,4|H<1>}	119.4980	0.000	2	119.4980	0.000	2	119.4980	0.000	2	119.4980	0.000	2	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]C[5]I)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]C[5]I)(C[5]N[5]O){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(H)2{1|I<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|I<1>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	115.1680	0.000	1	115.1680	0.000	1	117.8926	3.954	9	116.9234	5.628	13	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]C)(C[5]N[5]N)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]C)(C[5]N[5]N){2|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>,2|N<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|C<4>,4|H<1>}	116.7710	0.000	1	116.7710	0.000	1	117.8926	3.954	9	116.9234	5.628	13	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]H)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]N[5]C)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]H)(C[5]N[5]O){1|H<1>,5|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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,5|H<1>}	118.8110	1.739	6	118.8110	3.024	6	117.8926	3.954	9	116.9234	5.628	13	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)2{1|C<4>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|O<1>,5|H<1>}	116.2280	0.000	1	116.2280	0.000	1	117.8926	3.954	9	116.9234	5.628	13	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:F-1:F-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]FF)(C[5]N[5]O)(N[5]S[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]N[5]O)(F)2	C[5,6a](C[5,6a]C[6a]S[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]FF)(C[5]N[5]O)(N[5]S[5]H){1|C<4>,1|H<1>,1|O<2>,2|O<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[5,6a](C[5,6a]C[6a]S[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|F<1>,3|H<1>,3|O<1>}	113.7240	0.000	1	113.7240	0.000	1	113.7240	0.000	1	116.9234	5.628	13	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	114.3780	2.018	2	114.3780	4.073	2	115.0823	3.525	3	116.9234	5.628	13	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]N[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5]CH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]N[5]H){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5]CH)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,5|H<1>}	116.4910	0.000	1	116.4910	0.000	1	115.0823	3.525	3	116.9234	5.628	13	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:4:2:2:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-2:C-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(CN)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(CN)2{1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,2|C<2>,2|C<4>,3|C<3>}	114.3345	0.036	2	114.3345	0.001	2	114.3345	0.001	2	114.3345	0.001	2	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5,5]-4:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)(C[5]N[5]S)	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2N[5])(COO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)(C[5]N[5]S){1|C<4>,1|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2N[5])(COO)(H){1|N<2>,1|S<2>,2|N<3>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Br<1>,1|N<2>,1|O<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	115.3950	0.000	1	115.3950	0.000	1	115.3950	0.000	1	116.8979	7.958	41	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5,5]-4:C[5a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5a]H)(C[5]N[5]O)(C[5]N[5]S)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,5]C[5,6a]C[5]2)(C[5a]C[5a]O[5a])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5a]H)(C[5]N[5]O)(C[5]N[5]S){1|O<2>,2|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,5]C[5,6a]C[5]2)(C[5a]C[5a]O[5a])(H){1|H<1>,1|N<2>,1|S<1>,2|O<1>,3|N<3>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|S<1>,3|C<3>,3|H<1>}	117.5510	0.000	1	117.5510	0.000	1	117.5510	0.000	1	116.8979	7.958	41	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]3)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]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){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<2>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	110.7160	1.000	2	110.7160	1.000	2	110.7160	1.000	2	116.8979	7.958	41	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CC)(COO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CC)(COO)(H){1|C<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Br<1>,1|C<2>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	119.2450	0.000	1	119.2450	0.000	1	119.2537	7.326	6	116.8979	7.958	41	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(COO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]C[5]C)(C[5]N[5]O){1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(COO)(H){1|N<3>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<1>,2|H<1>,5|C<3>}	115.6920	0.000	1	115.6920	0.000	1	119.2537	7.326	6	116.8979	7.958	41	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]C[5]H)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(COO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]C[5]H)(C[5]N[5]O){2|H<1>,5|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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	116.7380	0.000	1	116.7380	0.000	1	119.2537	7.326	6	116.8979	7.958	41	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]H)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]N[5]C)(COO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]H)(C[5]N[5]O){1|H<1>,5|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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|N<2>,1|O<1>,3|C<3>,3|H<1>}	122.2490	0.000	1	122.2195	0.002	2	119.2537	7.326	6	116.8979	7.958	41	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]H)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]N[5]C)(COO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]H)(C[5]N[5]O){1|H<1>,5|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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,3|C<3>,4|H<1>}	122.1900	0.000	1	122.2195	0.002	2	119.2537	7.326	6	116.8979	7.958	41	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(C[5]N[5]S)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]CH)(COO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(C[5]N[5]S){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]CH)(COO)(H){1|H<1>,1|N<3>,1|O<1>,1|S<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|O<1>,1|S<1>,2|C<3>,2|C<4>,2|H<1>}	119.4080	0.000	1	119.4080	0.000	1	119.2537	7.326	6	116.8979	7.958	41	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]O)(C[5]N[5]O)	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]O)(C[5]N[5]O){4|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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){2|C<4>,2|O<1>,3|C<3>,3|H<1>}	116.0250	0.414	2	116.0250	0.172	2	116.0250	0.172	2	116.8979	7.958	41	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,5]-4:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,5]C[5,6a]C[5]2)(CCO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,5]C[5,6a]C[5]2)(CCO)(H){2|H<1>,2|N<3>,2|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	121.7780	0.000	1	121.7780	0.000	1	117.4810	36.928	2	116.8979	7.958	41	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,5]-4:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,5]C[5,6a]C[5]2)(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)(N[5]C[5]H){3|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,5]C[5,6a]C[5]2)(CC[6a]O)(H){2|H<1>,2|N<3>,2|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	113.1840	0.000	1	113.1840	0.000	1	117.4810	36.928	2	116.8979	7.958	41	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,5]-4:C[5a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5a]H)(C[5]N[5]O)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,5]C[5,6a]C[5]2)(C[5a]C[5a]O[5a])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5a]H)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|H<1>,1|O<2>,1|S<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,5]C[5,6a]C[5]2)(C[5a]C[5a]O[5a])(H){1|H<1>,1|N<2>,1|S<1>,2|O<1>,3|N<3>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	123.3290	0.000	1	123.3290	0.000	1	123.3290	0.000	1	116.8979	7.958	41	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a]H)(C[5]N[5]O)(N[5]C[5]H)	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]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){1|C<4>,1|H<1>,1|S<1>,6|C<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){1|S<1>,3|H<1>,3|N<3>,3|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	122.2030	0.000	1	122.2030	0.000	1	122.2030	0.000	1	116.8979	7.958	41	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]2H)(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]2H)(CC[6a]O)(H){1|Fe<10>,1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	117.1710	0.000	1	117.1710	0.000	1	116.6098	1.675	19	116.8979	7.958	41	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]2H)(COO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]C){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]2H)(COO)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	115.8770	0.000	1	115.8770	0.000	1	116.6098	1.675	19	116.8979	7.958	41	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH)(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]C){3|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH)(CC[6a]O)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|Br<1>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	117.2210	0.000	1	117.2210	0.000	1	116.6098	1.675	19	116.8979	7.958	41	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(CNO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]C){2|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(CNO)(H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|Br<1>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	116.9690	0.000	1	116.9690	0.000	1	116.6098	1.675	19	116.8979	7.958	41	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HS)(CCH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]C){1|S<4>,2|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HS)(CCH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	113.0480	0.000	1	113.0480	0.000	1	116.6098	1.675	19	116.8979	7.958	41	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5a]C[5]H)(CCO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]C){3|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5a]C[5]H)(CCO)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	115.9970	0.000	1	115.9970	0.000	1	116.6098	1.675	19	116.8979	7.958	41	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,3|C<3>,4|H<1>}	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	116.7740	0.000	1	116.7740	0.000	1	116.6098	1.675	19	116.8979	7.958	41	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]C){3|C<3>,5|H<1>}	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	116.7388	1.119	5	116.7388	1.252	5	116.6098	1.675	19	116.8979	7.958	41	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(COO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(COO)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	116.7010	0.000	1	116.7010	0.000	1	116.6098	1.675	19	116.8979	7.958	41	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CCO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,3|C<3>,4|H<1>}	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	114.9240	0.000	1	114.9240	0.000	1	116.6098	1.675	19	116.8979	7.958	41	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,3|C<3>,4|H<1>}	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	118.2320	0.000	1	117.6262	1.209	4	116.6098	1.675	19	116.8979	7.958	41	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	117.6300	1.698	2	117.6262	1.209	4	116.6098	1.675	19	116.8979	7.958	41	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]H){4|C<3>,4|H<1>}	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	117.0130	0.000	1	117.6262	1.209	4	116.6098	1.675	19	116.8979	7.958	41	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CHO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]H){2|C<4>,3|C<3>,3|H<1>}	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	116.7050	0.000	1	116.7050	0.000	1	116.6098	1.675	19	116.8979	7.958	41	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]H)	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|S<1>,2|H<1>,5|C<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){1|N<3>,1|O<1>,1|O<2>,1|S<1>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	118.3180	0.000	1	118.3180	0.000	1	118.3180	0.000	1	116.8979	7.958	41	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:N-3:Br-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrN)(C[5]N[5]O)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(NOO)(Br)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrN)(C[5]N[5]O)(N[5]C[5]C){3|C<3>,4|H<1>}	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	113.6365	0.576	2	113.6365	0.332	2	113.6365	0.332	2	116.8979	7.958	41	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:N-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(C[5]N[5]O)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(NOO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(C[5]N[5]O)(N[5]C[5]C){3|C<3>,5|H<1>}	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	116.5715	1.785	2	116.5715	3.188	2	116.5715	3.188	2	116.8979	7.958	41	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:N[5]-3:C[5]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(N[5]C[5,5]H)(C[5]N[5]O)	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]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){1|C<4>,3|H<1>,6|C<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){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	116.0490	0.000	1	116.0490	0.000	1	116.0490	0.000	1	116.8979	7.958	41	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:N[5,5]-3:C[5]-3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]N[5]O)	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[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[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[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[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	117.5420	0.000	1	117.5420	0.000	1	114.4070	7.424	3	113.8120	6.365	4	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:N[5,5]-3:C[5]-3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]N[5]O)	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[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[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[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[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,5|C<4>}	112.6100	0.000	1	112.8395	0.105	2	114.4070	7.424	3	113.8120	6.365	4	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:N[5,5]-3:C[5]-3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]N[5]O)	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[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[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[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[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	113.0690	0.000	1	112.8395	0.105	2	114.4070	7.424	3	113.8120	6.365	4	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:N[5,6]-3:C[5]-3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(N[5,6]C[5,6]C[6])(C[5]N[5]O)	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[5,6a](C[5,5]N[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[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[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[5,6a](C[5,5]N[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	112.0270	0.000	1	112.0270	0.000	1	112.0270	0.000	1	113.8120	6.365	4	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:4:3:2:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-4:C-3:C-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(CCO)(CN)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,3|C<3>,3|H<1>}	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<2>,2|C<4>,2|H<1>,3|C<3>}	114.0940	0.000	1	114.0940	0.000	1	114.0940	0.000	1	115.6520	1.940	4	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:4:3:2:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-3:C-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5a]C[5]H)(CC[5a]O)(CN)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(N[5]C[5]C){3|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5a]C[5]H)(CC[5a]O)(CN){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	114.9680	0.000	1	114.9680	0.000	1	116.1713	1.291	3	115.6520	1.940	4	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:4:3:2:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-3:C-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[5a]O)(CN)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,3|C<3>,4|H<1>}	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,2|C<3>,2|H<1>,4|C<4>}	117.2260	0.000	1	116.7730	0.410	2	116.1713	1.291	3	115.6520	1.940	4	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:4:3:2:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-3:C-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[5a]O)(CN)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(N[5]C[5]C){3|C<3>,5|H<1>}	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	116.3200	0.000	1	116.7730	0.410	2	116.1713	1.291	3	115.6520	1.940	4	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:4:3:3:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-4:C-3:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(COO)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(COO)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	118.0630	0.000	1	118.0630	0.000	1	118.0630	0.000	1	118.0630	0.000	1	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5,5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)(C[5]N[5]S)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,5]C[5,6a]C[5]2)(CF3)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(C[5,5]C[5]3)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)(C[5]N[5]S){1|Br<1>,1|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,5]C[5,6a]C[5]2)(CF3)(H){1|H<1>,1|S<1>,2|N<3>,2|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(C[5,5]C[5]3){1|N<3>,1|O<1>,1|S<1>,2|C<3>,2|C<4>,3|H<1>}	114.8820	0.000	1	114.8820	0.000	1	114.8820	0.000	1	114.8820	0.000	1	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:4:4:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]C[5]C)(C[5]N[5]O)	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	116.7080	0.000	1	116.7080	0.000	1	116.7080	0.000	1	118.9630	10.170	2	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:4:4:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,5]-4:C-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,5]C[5,6a]C[5]2)(CF3)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|H<1>,1|S<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,5]C[5,6a]C[5]2)(CF3)(H){1|H<1>,1|S<1>,2|N<3>,2|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	121.2180	0.000	1	121.2180	0.000	1	121.2180	0.000	1	118.9630	10.170	2	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:4:4:2:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-4:C-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(CC[6a]HO)(CN)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(N[5]C[5]C){2|C<3>,6|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(CC[6a]HO)(CN){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<2>,1|C<3>,1|O<1>,3|H<1>,4|C<4>}	120.4460	0.000	1	120.4460	0.000	1	120.4460	0.000	1	120.4460	0.000	1	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:4:4:3:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-4:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(CCHH)(CCO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(N[5]C[5]C){2|C<3>,6|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(CCHH)(CCO){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	118.5170	0.495	2	118.5170	0.245	2	116.2361	7.194	12	116.7349	7.092	16	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:4:4:3:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-4:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(CC[5]HO)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(N[5]C[5]C){2|C<3>,6|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(CC[5]HO)(COO){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	113.0600	0.000	1	113.0600	0.000	1	116.2361	7.194	12	116.7349	7.092	16	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:4:4:3:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-4:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(CC[6a]HO)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(CC[6a]HO)(COO){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,5|C<4>}	112.5890	0.000	1	112.5890	0.000	1	116.2361	7.194	12	116.7349	7.092	16	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:4:4:3:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-4:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CCHH)(CCO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(N[5]C[5]C){3|C<3>,5|H<1>}	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	119.1470	0.000	1	119.1470	0.000	1	116.2361	7.194	12	116.7349	7.092	16	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:4:4:3:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-4:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[6a]HH)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,3|C<3>,4|H<1>}	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,5|C<4>}	116.6140	0.000	1	117.5220	0.825	5	116.2361	7.194	12	116.7349	7.092	16	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:4:4:3:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-4:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[6a]HH)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(N[5]C[5]C){3|C<3>,5|H<1>}	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	117.7490	0.869	4	117.5220	0.825	5	116.2361	7.194	12	116.7349	7.092	16	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:4:4:3:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-4:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CHHN)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(N[5]C[5]C){3|C<3>,5|H<1>}	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	112.6880	0.000	1	112.6880	0.000	1	116.2361	7.194	12	116.7349	7.092	16	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:4:4:3:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-4:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CN[5a]HH)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(N[5]C[5]C){3|C<3>,5|H<1>}	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	112.7050	0.000	1	112.7050	0.000	1	116.2361	7.194	12	116.7349	7.092	16	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:4:4:3:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-4:N-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CN)(C[5]N[5]O)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CH3)(NOO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CN)(C[5]N[5]O)(N[5]C[5]C){3|C<3>,5|H<1>}	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|H<1>,4|C<4>}	116.2830	0.327	2	116.2830	0.107	2	118.2315	5.101	4	116.7349	7.092	16	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:4:4:3:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-4:N-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CN)(C[5]N[5]O)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CHHO)(NOO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CN)(C[5]N[5]O)(N[5]C[5]C){3|C<3>,5|H<1>}	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|H<1>,4|C<4>}	120.1800	0.099	2	120.1800	0.010	2	118.2315	5.101	4	116.7349	7.092	16	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:4:	3:4:4:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-4:	C[5,6a]-3:C[5,5]-4:C-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(CCHH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[5]C[5]CH){1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(CCHH)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,4|C<3>,5|H<1>}	118.1370	0.000	1	118.1370	0.000	1	118.1370	0.000	1	118.1370	0.000	1	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	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[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[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[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	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[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|N<3>,1|O<2>,3|C<3>,7|H<1>}	112.4390	0.000	1	112.4390	0.000	1	112.4390	0.000	1	112.4390	0.000	1	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,5]CH)(C[5]C[5,6a]O)(C[5]C[5]HH)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]C[6a]O)(H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,5]CH)(C[5]C[5,6a]O)(C[5]C[5]HH){1|H<1>,1|O<2>,6|C<3>}	C[5](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[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<4>,4|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	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	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[5,6a]-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[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]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[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	113.2100	0.000	1	113.2100	0.000	1	111.9818	2.186	4	111.9818	2.186	4	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	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[5,6a]-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[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]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[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	112.1830	0.000	1	112.1830	0.000	1	111.9818	2.186	4	111.9818	2.186	4	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	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[5,6a]-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[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]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[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	112.6790	0.000	1	112.6790	0.000	1	111.9818	2.186	4	111.9818	2.186	4	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	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[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[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[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]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[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	109.8550	0.000	1	109.8550	0.000	1	111.9818	2.186	4	111.9818	2.186	4	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:4:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-4:	C[5,5]-4:C[5,5]-4:C-3:H-1:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,5]CH)(C[5]C[5,6a]O)(C[5]C[5]HH)	C[5](C[5,5]C[5,6a]C[5]2)2(CC[6a]O)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,5]CH)(C[5]C[5,6a]O)(C[5]C[5]HH){1|H<1>,1|O<2>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)2(CC[6a]O)(H){1|N<3>,1|O<2>,2|H<1>,2|O<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	117.3230	0.000	1	117.3230	0.000	1	117.3230	0.000	1	117.3230	0.000	1	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:1:	3:4:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5a]O[5]C)(C[5]C[5,5a]HH)(H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,6a]C[5,5]H)(H)2	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5a]O[5]C)(C[5]C[5,5a]HH)(H){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,6a]C[5,5]H)(H)2{1|C<4>,1|N<3>,1|O<2>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	114.4920	0.000	1	114.4920	0.000	1	114.4920	0.000	1	114.4920	0.000	1	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:1:	4:2:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:C-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]O[5]CH)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(O[5]C[5])(CCH)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]O[5]CH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]H)(O[5]C[5])(CCH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	116.1943	1.428	6	116.1943	2.040	6	115.9397	2.154	7	115.9397	2.154	7	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:1:	4:2:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:C-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]O[5]CH)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(O[5]N[5])(COO)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]O[5]CH)(H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]H)(O[5]N[5])(COO)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,5|H<1>}	114.4120	0.000	1	114.4120	0.000	1	115.9397	2.154	7	115.9397	2.154	7	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:1:	4:2:4:2:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:C-4:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]O[5]CO)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(O[5]C[5])(CC3)(OH)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]O[5]CO)(H){1|H<1>,2|C<4>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]H)(O[5]C[5])(CC3)(OH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	115.8030	0.000	1	115.8030	0.000	1	115.8030	0.000	1	115.8030	0.000	1	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:1:	4:2:4:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:C-4:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]O[5]CC)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(O[5]N[5])(CH3)(CCO)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]O[5]CC)(H){3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]H)(O[5]N[5])(CH3)(CCO){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,5|H<1>}	115.4430	0.000	1	115.4430	0.000	1	115.4430	0.000	1	115.4430	0.000	1	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:1:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[3x5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2C)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,6a]C[3x5]H)(C[5]C[5,5]O)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2C)(C[5]C[5]HH)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[3x5]H)(C[5]C[5,5]O)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	115.1150	0.000	1	115.1150	0.000	1	115.1150	0.000	1	114.6815	0.376	2	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:1:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:H-1:H-1:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]2H)(C[5]C[5,6a]HH)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]O)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]2H)(C[5]C[5,6a]HH)(H){1|O<2>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(H)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]O){4|H<1>,5|C<3>}	114.2480	0.000	1	114.2480	0.000	1	114.2480	0.000	1	114.6815	0.376	2	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:1:	4:3:1:1:	4:3:2:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:Br-1:H-1:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[5,5](C[5,6a]C[5,6a]N[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]BrH)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(Br)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])	C[5,5](C[5,6a]C[5,6a]N[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]BrH)(H){1|Br<1>,1|H<1>,1|N<2>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(Br)(H){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a]){2|Br<1>,4|C<3>,4|H<1>}	111.6050	1.019	6	111.6050	1.038	6	111.6050	1.038	6	111.6050	1.038	6	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:1:	4:3:1:1:	4:3:3:	C[5,6a]-3:C[5,5,6]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]N[5,6]2H)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5,6]C[5,6a]H)(C[5]N[5,6]O)(H)2	C[5,6a](C[5,5]C[5,5,6]C[5]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]N[5,6]2H)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,5]C[5,5,6]C[5,6a]H)(C[5]N[5,6]O)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,5]C[5,5,6]C[5]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,5|H<1>}	115.8770	0.000	1	115.8770	0.000	1	115.8770	0.000	1	114.1538	1.955	10	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:1:	4:3:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]C)(H)2	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]C)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,7|H<1>}	113.8460	0.000	1	113.8460	0.000	1	113.9623	1.787	9	114.1538	1.955	10	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:1:	4:3:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]O)(H)2	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]HH)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]O)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,4|H<1>}	114.5895	1.002	2	114.5895	1.004	2	113.9623	1.787	9	114.1538	1.955	10	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:1:	4:3:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]C)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]O)(H)2	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]C)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]O)(H)2{1|C<4>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){3|H<1>,3|O<2>,4|C<3>}	114.4250	0.000	1	114.4250	0.000	1	113.9623	1.787	9	114.1538	1.955	10	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:1:	4:3:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]C)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]O)(H)2	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]C)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]O)(H)2{1|C<4>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,3|O<2>,4|C<3>}	113.9830	0.000	1	113.9830	0.000	1	113.9623	1.787	9	114.1538	1.955	10	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:1:	4:3:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]H)(H)2	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(H){2|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]H)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	114.7470	0.000	1	114.7470	0.000	1	113.9623	1.787	9	114.1538	1.955	10	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:1:	4:3:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]O)(H)2	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]O)(H)2{1|H<1>,2|O<2>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	112.0620	1.580	2	112.0620	2.495	2	113.9623	1.787	9	114.1538	1.955	10	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:1:	4:3:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]O)(H)2	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	115.3570	0.000	1	115.3570	0.000	1	113.9623	1.787	9	114.1538	1.955	10	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:1:	4:3:2:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[5,5]-4:H-1:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	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[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	118.3780	0.000	1	118.3780	0.000	1	118.3780	0.000	1	118.3780	0.000	1	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:1:	4:3:2:2:	3:4:3:	C[5,6a]-3:C[3x5]-4:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:O[5]-2:O-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2C)(C[5]C[6a]O[5]O)(H)	C[5](C[5,5]C[5,6a]C[3x5]H)(C[6a]C[6a]2)(O[5]C[5,5])(OC)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2C)(C[5]C[6a]O[5]O)(H){1|H<1>,2|O<2>,6|C<3>}	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[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|O<2>,4|C<3>}	116.4100	0.000	1	116.4100	0.000	1	116.4100	0.000	1	116.4100	0.000	1	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:1:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a]H)(H)	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[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a]H)(H){2|H<1>,7|C<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){1|C<4>,1|O<2>,3|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|O<2>,3|H<1>,5|C<3>}	114.8342	0.193	4	115.6065	1.993	8	115.3408	2.379	9	115.6899	4.408	14	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:1:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a]H)(H)	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[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a]H)(H){2|H<1>,7|C<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){1|C<4>,4|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,4|H<1>,5|C<3>}	116.3787	1.738	4	115.6065	1.993	8	115.3408	2.379	9	115.6899	4.408	14	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:1:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]C[6a]H)(H)	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[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]C[6a]H)(H){1|H<1>,1|O<2>,7|C<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){1|C<4>,2|H<1>,2|O<2>,6|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,4|O<2>,5|C<3>}	113.2150	0.000	1	113.2150	0.000	1	115.3408	2.379	9	115.6899	4.408	14	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:1:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:N-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]HN)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]H)(NCN)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]HN)(H){3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]H)(NCN)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|N<3>,3|C<3>,6|H<1>}	113.4820	0.000	1	113.4820	0.000	1	113.4820	0.000	1	115.6899	4.408	14	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:1:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]N)(C[5]C[6a]C[5]H)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]N)(C[5]C[6a]C[5]H)(H){2|H<1>,5|C<3>}	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[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	116.2160	0.000	1	116.2160	0.000	1	116.2160	0.000	1	115.6899	4.408	14	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:1:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:C-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]N)(C[5]N[5]CH)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(N[5]C[5]H)(COO)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]N)(C[5]N[5]CH)(H){3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]H)(N[5]C[5]H)(COO)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|N<3>,3|H<1>}	115.9580	0.000	1	115.9580	0.000	1	115.3205	0.813	2	115.6899	4.408	14	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:1:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:C-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]CH)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(N[5]C[5]H)(COO)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]CH)(H){2|O<1>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]H)(N[5]C[5]H)(COO)(H){1|S<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|O<1>,4|H<1>}	114.6830	0.000	1	114.6830	0.000	1	115.3205	0.813	2	115.6899	4.408	14	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:1:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[5,5]-4:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	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[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,4|C<3>,5|H<1>}	121.2520	0.000	1	121.2520	0.000	1	121.2520	0.000	1	115.6899	4.408	14	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:1:	4:3:4:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]CH)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]H)(CCCH)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]CH)(H){1|S<4>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]H)(CCCH)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	115.9530	0.000	1	115.9530	0.000	1	115.7733	0.247	3	116.4703	2.108	4	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:1:	4:3:4:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]CH)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]O)(CH3)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]CH)(H){1|C<4>,2|O<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]O)(CH3)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	116.1560	0.000	1	116.1560	0.000	1	115.7733	0.247	3	116.4703	2.108	4	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:1:	4:3:4:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]2C)(C[5]C[5]CH)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]O)(CH3)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]2C)(C[5]C[5]CH)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]O)(CH3)(H){1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	115.2110	0.000	1	115.2110	0.000	1	115.7733	0.247	3	116.4703	2.108	4	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:1:	4:3:4:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[5,5]-4:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]N[5]2H)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]N[5]2H)(H){1|S<4>,2|C<4>,2|H<1>,4|C<3>}	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[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	118.5610	0.000	1	118.5610	0.000	1	118.5610	0.000	1	116.4703	2.108	4	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:1:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[6a,6a]-3:C[5,5]-4:C[5,6a]-3:	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]O[5]2H)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]HH)(H)2	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]O[5]2H)(C[5]C[5]HH)(H){2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5]){1|C<4>,2|C<3>,2|O<2>,5|H<1>}	115.1080	0.000	1	115.1080	0.000	1	115.1080	0.000	1	115.1080	0.000	1	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:1:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,6]2C)(C[5]C[5,6]HH)(H)	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[5,6a](C[5,5]C[5,5,6]C[5]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,6]2C)(C[5]C[5,6]HH)(H){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[5,6a](C[5,5]C[5,5,6]C[5]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|C<3>,3|C<4>,5|H<1>}	113.9830	0.000	1	113.9830	0.000	1	113.9830	0.000	1	115.3472	9.752	29	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:1:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:Br-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(Br)	C[5](C[5,5]C[5,6a]C[5,5]Br)(C[5]N[5]CH)(H)2	C[5,6a](C[5,5]C[5,5]C[5]Br)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(Br){2|H<1>,2|S<4>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]Br)(C[5]N[5]CH)(H)2{1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]Br)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|S<4>,5|H<1>}	116.8680	0.000	1	116.8680	0.000	1	116.8105	0.007	2	115.3472	9.752	29	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:1:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:Br-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(Br)	C[5](C[5,5]C[5,6a]C[5,5]Br)(C[5]N[5]HH)(H)2	C[5,6a](C[5,5]C[5,5]C[5]Br)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(Br){3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]Br)(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]Br)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	116.7530	0.000	1	116.7530	0.000	1	116.8105	0.007	2	115.3472	9.752	29	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:1:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:F-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2C)(C[5]C[5]HH)(F)	C[5](C[5,5]C[5,6a]C[5,5]F)(C[5]N[5]HH)(H)2	C[5,6a](C[5,5]C[5,5]C[5]F)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2C)(C[5]C[5]HH)(F){3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]F)(C[5]N[5]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]F)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	118.6250	0.000	1	118.6250	0.000	1	118.6250	0.000	1	115.3472	9.752	29	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:1:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]HH)(H)2	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|C<2>,1|C<4>,2|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,1|C<3>,3|C<4>,5|H<1>}	129.7910	0.000	1	129.7910	0.000	1	115.2410	10.897	24	115.3472	9.752	29	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:1:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]HH)(H)2	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]HH)(H)2{1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<2>,1|C<3>,1|N<3>,2|C<4>,4|H<1>}	117.0460	0.000	2	117.0460	0.000	2	115.2410	10.897	24	115.3472	9.752	29	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:1:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]C)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]CH)(H)2	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]C)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]CH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){2|C<3>,3|C<4>,3|H<1>}	114.5740	0.233	2	114.5740	0.054	2	115.2410	10.897	24	115.3472	9.752	29	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:1:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]CH)(H)2	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(H){3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]CH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	113.3155	0.054	2	113.3155	0.003	2	115.2410	10.897	24	115.3472	9.752	29	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:1:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]C)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]HH)(H)2	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]C)(C[5]C[5]HH)(H){1|S<4>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]HH)(H)2{1|N<3>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,4|H<1>}	115.3867	0.654	3	115.3867	0.428	3	115.2410	10.897	24	115.3472	9.752	29	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:1:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[6a]O[5]H)(H)2	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5]C[5]HH)(H){1|S<4>,2|H<1>,3|C<3>}	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[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,1|S<4>,5|H<1>}	114.0348	0.811	5	114.0348	0.657	5	115.2410	10.897	24	115.3472	9.752	29	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:1:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]HH)(H)2	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5]C[5]HH)(H){1|S<4>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,1|S<4>,5|H<1>}	113.3943	0.842	3	113.3943	0.708	3	115.2410	10.897	24	115.3472	9.752	29	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:1:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]2H)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]HH)(H)2	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6,6a]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]2H)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6,6a]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	115.0245	0.426	2	115.0245	0.182	2	115.2410	10.897	24	115.3472	9.752	29	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:1:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]2H)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]HH)(H)2	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]2H)(C[5]C[5]HH)(H){2|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|F<1>,3|H<1>}	114.7775	0.016	2	114.6457	0.052	3	115.2410	10.897	24	115.3472	9.752	29	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:1:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]2H)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]HH)(H)2	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]2H)(C[5]C[5]HH)(H){2|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	114.3820	0.000	1	114.6457	0.052	3	115.2410	10.897	24	115.3472	9.752	29	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:1:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]2H)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]HH)(H)2	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]2H)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	115.6190	0.000	1	115.6190	0.000	1	115.2410	10.897	24	115.3472	9.752	29	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:1:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:O-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5]C[5]HH)(O)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]O[5]HH)(H)2	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5]C[5]HH)(O){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]O[5]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	113.0560	0.000	1	113.0560	0.000	1	113.0560	0.000	1	115.3472	9.752	29	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:1:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[3x5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[6a,6a]-3:C[5,5]-4:C[5,6a]-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)	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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5]C[3x5]C[5]H)(C[5,6a]C[6a]O[5])	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[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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5]C[3x5]C[5]H)(C[5,6a]C[6a]O[5]){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	113.6830	0.000	1	113.6830	0.000	1	113.6830	0.000	1	113.6830	0.000	1	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:1:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5,5,6]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,6]2H)(C[5]C[5,6]C[6a]H)(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)	C[5,6a](C[5,5]C[5,5,6]C[5]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]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){5|H<1>,6|C<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){1|C<4>,1|F<1>,4|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,5,6]C[5]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,5|H<1>}	118.0560	0.000	1	118.0560	0.000	1	118.0560	0.000	1	118.0560	0.000	1	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:1:	4:4:4:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]CH)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]HO)(CH3)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]CH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]HO)(CH3)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	117.9640	0.000	1	117.9640	0.000	1	116.6623	1.407	3	116.6623	1.407	3	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:1:	4:4:4:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]2H)(C[5]C[5]CH)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[6a]O[5]H)(CH3)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]2H)(C[5]C[5]CH)(H){2|H<1>,3|C<3>}	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[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	116.3810	0.000	1	116.3810	0.000	1	116.6623	1.407	3	116.6623	1.407	3	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:1:	4:4:4:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]2H)(C[5]C[5]CH)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]HH)(CH3)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]2H)(C[5]C[5]CH)(H){2|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]HH)(CH3)(H){1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	115.6420	0.000	1	115.6420	0.000	1	116.6623	1.407	3	116.6623	1.407	3	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:2:	4:2:3:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:O-2:	C[5,5]-4:S[5]-2:C-3:H-1:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]S[5]CH)(OH)	C[5](C[5,5]C[5,6a]C[5,5]O)(S[5]C[5])(COO)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]O)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]S[5]CH)(OH){2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]O)(S[5]C[5])(COO)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<2>,2|H<1>,4|C<3>}	113.3325	0.788	2	113.3325	0.622	2	113.3325	0.622	2	113.3325	0.622	2	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:2:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:O[5]-2:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(C[5]N[5]HH)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5]C)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(C[5]N[5]HH)(O[5]C[5]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	116.7050	0.000	1	116.7050	0.000	1	116.7050	0.000	1	116.7050	0.000	1	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:2:	4:3:1:1:	4:3:3:	C[5,6a]-3:C[5,5,6]-4:C[5]-4:O-2:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]N[5,6]2H)(C[5]C[5]HH)(OH)	C[5](C[5,5]C[5,5,6]C[5,6a]O)(C[5]N[5,6]O)(H)2	C[5,6a](C[5,5]C[5,5,6]C[5]O)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]N[5,6]2H)(C[5]C[5]HH)(OH){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,5]C[5,5,6]C[5,6a]O)(C[5]N[5,6]O)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,5]C[5,5,6]C[5]O)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,5|H<1>}	117.0370	0.000	1	117.0370	0.000	1	117.0370	0.000	1	115.1465	1.286	6	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:2:	4:3:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:O-2:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2C)(C[5]C[5]HH)(OH)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[5]C)(H)2	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2C)(C[5]C[5]HH)(OH){3|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[5]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,6|H<1>}	115.9320	0.000	1	115.9320	0.000	1	114.7684	0.535	5	115.1465	1.286	6	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:2:	4:3:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:O-2:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(OH)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]N[5]O)(H)2	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(OH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	115.0210	0.000	1	115.0210	0.000	1	114.7684	0.535	5	115.1465	1.286	6	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:2:	4:3:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:O-2:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]C)(C[5]C[5]HH)(OH)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]O[5]O)(H)2	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]C)(C[5]C[5]HH)(OH){1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]O[5]O)(H)2{1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	114.2963	0.167	3	114.2963	0.028	3	114.7684	0.535	5	115.1465	1.286	6	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:2:	4:3:2:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:O-2:	C[5,5]-4:C[5,6a]-3:O-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]HO)(OH)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])(OC)(H)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]HO)(OH){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])(OC)(H){1|H<1>,1|O<2>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	113.6110	0.000	1	112.5080	2.433	2	112.5365	0.843	4	112.5365	0.843	4	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:2:	4:3:2:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:O-2:	C[5,5]-4:C[5,6a]-3:O-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]HO)(OH)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])(OC)(H)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]HO)(OH){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])(OC)(H){1|H<1>,1|O<2>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|O<2>,3|C<3>,3|H<1>}	111.4050	0.000	1	112.5080	2.433	2	112.5365	0.843	4	112.5365	0.843	4	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:2:	4:3:2:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:O-2:	C[5,5]-4:C[5,6a]-3:O-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]HO)(OH)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])(OH)(H)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]HO)(OH){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])(OH)(H){1|H<1>,1|O<2>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,3|O<2>}	112.7790	0.000	1	112.5650	0.092	2	112.5365	0.843	4	112.5365	0.843	4	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:2:	4:3:2:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:O-2:	C[5,5]-4:C[5,6a]-3:O-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]HO)(OH)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])(OH)(H)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]HO)(OH){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])(OH)(H){1|H<1>,1|O<2>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|O<2>,3|C<3>,3|H<1>}	112.3510	0.000	1	112.5650	0.092	2	112.5365	0.843	4	112.5365	0.843	4	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:2:	4:3:3:2:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a]O)(OH)	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[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a]O)(OH){2|H<1>,7|C<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){1|C<4>,1|O<2>,3|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,3|O<2>,5|C<3>}	117.4250	0.000	1	117.4250	0.000	1	117.4250	0.000	1	117.4250	0.000	1	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:2:	4:3:3:3:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:O[5]-2:	C[5,5]-4:N[5]-3:C-3:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]CC)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5]S)(COO)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]CC)(O[5]C[5]){1|S<4>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5]S)(COO)2{1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	116.4145	1.009	2	116.4145	1.018	2	116.4145	1.018	2	116.4145	1.018	2	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:2:	4:3:4:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[5,5]-4:O-2:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]N[5]2H)(OC)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]N[5]2H)(OC){1|S<4>,4|C<3>,4|H<1>}	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[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|Br<1>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	114.7460	0.000	1	114.7460	0.000	1	114.7460	0.000	1	114.7460	0.000	1	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:2:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[3x5]-4:C[5]-4:O-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]N[5,5]2H)(C[5]C[5]HH)(OH)	C[5](C[5,5]C[5,6a]C[3x5]O)(C[5]N[5,5]CH)(H)2	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5,5]C[3x5]C[5]O)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]N[5,5]2H)(C[5]C[5]HH)(OH){2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[3x5]O)(C[5]N[5,5]CH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5,5]C[3x5]C[5]O)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	116.0237	0.372	3	116.0237	0.139	3	116.0237	0.139	3	116.0449	2.708	13	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:2:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:O[5]-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(C[5]C[5]HH)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(C[5]C[5]HH)(O[5]C[5]){1|O<1>,2|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|C<3>,7|H<1>}	116.3850	3.833	2	116.3850	14.688	2	116.0513	3.580	10	116.0449	2.708	13	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:2:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:O[5]-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]HH)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]CH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]HH)(O[5]C[5]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]CH)(H)2{1|O<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]O){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	113.9260	0.000	1	113.9260	0.000	1	116.0513	3.580	10	116.0449	2.708	13	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:2:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:O[5]-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]ClH)(C[5]C[5]HH)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]ClH)(C[5]C[5]HH)(O[5]C[5]){1|O<1>,2|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|C<3>,7|H<1>}	116.4775	3.118	2	116.4775	9.720	2	116.0513	3.580	10	116.0449	2.708	13	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:2:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:O[5]-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]CC)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[6a]N[5]H)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]CC)(O[5]C[5]){1|S<4>,3|C<3>,4|H<1>}	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[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	115.6560	0.371	2	115.6560	0.137	2	116.0513	3.580	10	116.0449	2.708	13	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:2:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:O[5]-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]HH)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]CC)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]HH)(O[5]C[5]){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]CC)(H)2{1|N<3>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,6|H<1>}	116.3960	0.000	1	116.3960	0.000	1	116.0513	3.580	10	116.0449	2.708	13	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:2:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:O[5]-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]HN)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]HN)(O[5]C[5]){1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH)(H)2{1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>,5|H<1>}	116.5770	1.259	2	116.5770	1.584	2	116.0513	3.580	10	116.0449	2.708	13	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:2:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:N-2:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,6]N[5]H)(C[5]C[5,6]HH)(NN)	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5,6]N[5,6]C[6]H)(H)2	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,6]N[5]H)(C[5]C[5,6]HH)(NN){3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5,6]N[5,6]C[6]H)(H)2{1|H<1>,1|O<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	116.2180	0.000	1	116.2180	0.000	1	116.2180	0.000	1	115.5377	4.399	7	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:2:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:N-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(NC[6a])	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]N[5]CH)(H)2	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(NC[6a]){3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]N[5]CH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	114.9310	0.000	1	114.9310	0.000	1	114.9310	0.000	1	115.5377	4.399	7	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:2:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:O-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2C)(C[5]C[5]HH)(OH)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]N[5]HH)(H)2	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2C)(C[5]C[5]HH)(OH){3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]N[5]HH)(H)2{1|N<3>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	115.0080	0.000	1	115.0080	0.000	1	113.2090	6.473	2	115.5377	4.399	7	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:2:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:O-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(OH)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]N[5]CH)(H)2	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(OH){2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]N[5]CH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	111.4100	0.000	1	111.4100	0.000	1	113.2090	6.473	2	115.5377	4.399	7	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:2:	4:4:1:1:	4:3:3:	C[5,6a]-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[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(C[5]C[5]HH)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5,5]O[5])(C[5]N[6a]C[5]H)(H)2	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(C[5]C[5]HH)(O[5]C[5]){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]O[5])(C[5]N[6a]C[5]H)(H)2{1|H<1>,1|O<1>,2|N<3>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	117.9240	0.000	1	117.4095	0.529	2	117.4095	0.529	2	115.5377	4.399	7	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:2:	4:4:1:1:	4:3:3:	C[5,6a]-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[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(C[5]C[5]HH)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5,5]O[5])(C[5]N[6a]C[5]H)(H)2	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(C[5]C[5]HH)(O[5]C[5]){1|C<4>,1|N<3>,1|O<1>,1|S<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]O[5])(C[5]N[6a]C[5]H)(H)2{1|H<1>,1|O<1>,2|N<3>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	116.8950	0.000	1	117.4095	0.529	2	117.4095	0.529	2	115.5377	4.399	7	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:2:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5]-4:O[5]-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5,6]O[5])(C[5]C[5,6]HH)(H)2	C[5,6a](C[5,5]C[5,6]C[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O[5]C[5]){2|C<3>,2|C<4>,8|H<1>}	C[5](C[5,5]C[5,6a]C[5,6]O[5])(C[5]C[5,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[5,6a](C[5,5]C[5,6]C[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,1|N<3>,4|H<1>,5|C<4>}	116.3780	0.000	1	116.3780	0.000	1	116.3780	0.000	1	115.5377	4.399	7	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:2:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:N[5]-3:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(C[5]O[5]HH)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(O[5]C[5])(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(C[5]O[5]HH)(N[5]C[5]H){1|H<1>,1|O<1>,1|S<4>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(O[5]C[5])(H)2{1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|O<2>,6|H<1>}	114.8360	0.000	1	114.8360	0.000	1	114.8360	0.000	1	114.8360	0.000	1	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:2:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:O[5]-2:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]O[5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(O[5]N[5])(COO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]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){1|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(O[5]N[5])(COO)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	113.8300	0.000	1	113.8300	0.000	1	113.8300	0.000	1	116.4425	13.650	2	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:2:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:S[5]-2:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(C[5]S[5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(S[5]C[5])(COO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(C[5]S[5]CH)(C[5]N[5]O){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(S[5]C[5])(COO)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,1|O<2>,1|S<2>,2|C<3>,2|C<4>,4|H<1>}	119.0550	0.000	1	119.0550	0.000	1	119.0550	0.000	1	116.4425	13.650	2	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:2:4:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]O[5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5])(CF3)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]O[5]CH)(C[5]N[5]O){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5])(CF3)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	121.0860	0.000	1	121.0860	0.000	1	121.0860	0.000	1	121.0860	0.000	1	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:2:4:4:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:O[5]-2:C-4:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]O[5]CC)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5])(CCHH)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]O[5]CC)(C[5]N[5]O){2|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5])(CCHH)2{1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<3>,1|I<1>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	114.7970	0.000	1	114.7970	0.000	1	114.7970	0.000	1	114.7970	0.000	1	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CC)(C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]O)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CC)(C[5]C[5]HH)(C[5]N[5]O){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]O)(H)2{1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	116.6230	0.000	1	116.6230	0.000	1	115.2509	4.388	12	114.8524	6.930	32	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]HH)(C[5]N[5]O){1|C<2>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(H)2{1|C<2>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	114.5240	0.000	1	116.2860	6.209	2	115.2509	4.388	12	114.8524	6.930	32	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]HH)(C[5]N[5]O){1|H<1>,1|S<4>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(H)2{1|N<3>,1|O<1>,2|C<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,1|S<4>,2|C<2>,3|C<3>,4|H<1>}	118.0480	0.000	1	116.2860	6.209	2	115.2509	4.388	12	114.8524	6.930	32	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]HH)(C[5]N[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]HH)(C[5]N[5]C){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(H)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|N<3>,2|C<3>,5|H<1>}	114.0630	0.000	1	114.0630	0.000	1	115.2509	4.388	12	114.8524	6.930	32	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]HH)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>,6|H<1>}	114.7620	0.000	1	114.7620	0.000	1	115.2509	4.388	12	114.8524	6.930	32	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)2(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)2(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,6|H<1>}	114.1130	2.609	2	114.1130	6.808	2	115.2509	4.388	12	114.8524	6.930	32	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,5|C<3>,5|H<1>}	118.3750	0.000	1	118.3750	0.000	1	115.2509	4.388	12	114.8524	6.930	32	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5])(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5])(H)2{1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|O<1>,4|C<3>,5|H<1>}	112.8155	1.678	2	112.8155	2.816	2	115.2509	4.388	12	114.8524	6.930	32	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]O[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]O[5]O){2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,4|C<3>,5|H<1>}	116.3960	0.000	1	116.3960	0.000	1	115.2509	4.388	12	114.8524	6.930	32	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]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){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	116.3630	0.000	1	116.3630	0.000	1	115.2509	4.388	12	114.8524	6.930	32	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]HH)(C[5]N[5]O){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|C<2>,5|H<1>}	117.3247	1.506	4	117.3199	1.504	7	115.5783	6.379	15	114.8524	6.930	32	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]HH)(C[5]N[5]O){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(H)2{1|N<3>,1|O<1>,2|C<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<2>,2|C<3>,4|H<1>}	116.5410	0.000	1	117.3199	1.504	7	115.5783	6.379	15	114.8524	6.930	32	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]HH)(C[5]N[5]O){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(H)2{1|N<3>,1|O<1>,2|C<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<2>,2|C<4>,4|H<1>}	118.5150	0.000	1	117.3199	1.504	7	115.5783	6.379	15	114.8524	6.930	32	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]HH)(C[5]N[5]O){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(H)2{1|N<3>,1|O<1>,2|C<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<2>,3|C<4>,3|H<1>}	116.8840	0.000	1	117.3199	1.504	7	115.5783	6.379	15	114.8524	6.930	32	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]H)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]HH)(C[5]N[5]O){3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]H)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	115.6570	0.000	1	115.6570	0.000	1	115.5783	6.379	15	114.8524	6.930	32	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]HH)(C[5]N[5]O){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(H)2{1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	111.7400	0.000	1	111.7940	0.006	2	115.5783	6.379	15	114.8524	6.930	32	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]HH)(C[5]N[5]O){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(H)2{1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	111.8480	0.000	1	111.7940	0.006	2	115.5783	6.379	15	114.8524	6.930	32	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]H)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]HH)(C[5]N[5]O){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]H)(H)2{1|C<2>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Br<1>,1|C<2>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	114.0560	0.000	1	114.7555	0.979	2	115.5783	6.379	15	114.8524	6.930	32	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]H)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]HH)(C[5]N[5]O){3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]H)(H)2{1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	115.4550	0.000	1	114.7555	0.979	2	115.5783	6.379	15	114.8524	6.930	32	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]HH)(C[5]N[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]HH)(C[5]N[5]C){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(H)2{1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|N<3>,2|C<3>,5|H<1>}	110.5610	0.000	1	110.5610	0.000	1	115.5783	6.379	15	114.8524	6.930	32	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]HH)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(H)2{1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>,6|H<1>}	117.2540	0.000	1	116.5590	0.966	2	115.5783	6.379	15	114.8524	6.930	32	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]HH)(C[5]N[5]O){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(H)2{1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,7|H<1>}	115.8640	0.000	1	116.5590	0.966	2	115.5783	6.379	15	114.8524	6.930	32	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]H)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(N[5]C[5]C){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]H)(H)2{1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,4|C<3>,5|H<1>}	113.5890	0.000	1	113.5890	0.000	1	113.9955	0.330	2	114.8524	6.930	32	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]HH)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]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){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5]O)(H)2{1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	114.4020	0.000	1	114.4020	0.000	1	113.9955	0.330	2	114.8524	6.930	32	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:N[5]-3:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)2(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5]C)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a,6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)2(N[5]C[5]C){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5]C)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a,6a]H){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	110.2160	0.000	1	110.2160	0.000	1	110.2003	0.357	3	114.8524	6.930	32	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:N[5]-3:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)2(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5]C)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)2(N[5]C[5]C){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5]C)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	109.5950	0.000	1	110.1925	0.714	2	110.2003	0.357	3	114.8524	6.930	32	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:N[5]-3:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)2(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5]C)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)2(N[5]C[5]C){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5]C)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	110.7900	0.000	1	110.1925	0.714	2	110.2003	0.357	3	114.8524	6.930	32	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:N-3:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]HH)(NOO)	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]C[5]H)(H)2	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]HH)(NOO){2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]C[5]H)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){4|C<3>,5|H<1>}	114.2710	0.000	1	114.2710	0.000	1	114.2710	0.000	1	115.0735	1.288	2	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:N-3:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]HH)(NOO)	C[5](C[5,5]C[5,6a]C[5,5]N)(N[5]C[5]C)(H)2	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]HH)(NOO){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]N)(N[5]C[5]C)(H)2{1|S<2>,2|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	115.8760	0.000	1	115.8760	0.000	1	115.8760	0.000	1	115.0735	1.288	2	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:2:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-3:C-2:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(CN)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]HH)(C[5]N[5]O){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(CN)(H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Br<1>,1|C<2>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	118.0220	0.000	1	118.0220	0.000	1	118.0220	0.000	1	115.8153	5.493	4	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:2:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-3:S-2:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]HS)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(SC[6a])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]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){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(SC[6a])(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|C<3>,4|H<1>}	116.4970	0.000	1	116.4970	0.000	1	116.4970	0.000	1	115.8153	5.493	4	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:2:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(C[5]C[5]HH)(C[5]N[5]N)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]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){4|C<3>,4|H<1>}	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,6|H<1>}	116.2380	0.000	1	116.2380	0.000	1	114.3710	6.971	2	115.8153	5.493	4	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:2:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(C[5]C[5]HH)(C[5]O[5]N)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5,5]C[5]3)(C[6a]C[6a]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){2|H<1>,5|C<3>}	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[5,6a](C[5,6a]C[6a]O[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,5|H<1>}	112.5040	0.000	1	112.5040	0.000	1	114.3710	6.971	2	115.8153	5.493	4	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:2:2:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-3:C-2:C-2:	C[5,6a]-3:C[6a]-3:C[5,5]-4:	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[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]H)(CN)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(C[5,5]C[5]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[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]H)(CN)2{1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(C[5,5]C[5]3){1|C<4>,1|N<2>,1|O<1>,2|C<2>,2|H<1>,4|C<3>}	113.7240	0.000	1	113.7240	0.000	1	113.7240	0.000	1	113.7240	0.000	1	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:2:2:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-3:C-2:C-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(CN)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]CH)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(CN)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<2>,2|C<4>,3|C<3>,3|H<1>}	116.9320	0.000	1	116.9320	0.000	1	117.9176	2.785	5	117.9176	2.785	5	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:2:2:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-3:C-2:C-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]CO)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CN)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]CO)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,1|P<4>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CN)2{1|N<3>,1|O<1>,1|O<2>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,1|O<1>,1|O<2>,2|C<2>,4|C<3>}	120.3770	0.000	1	120.3770	0.000	1	117.9176	2.785	5	117.9176	2.785	5	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:2:2:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-3:C-2:C-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5])(CN)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]HH)(C[5]N[5]O){1|H<1>,1|S<4>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5])(CN)2{1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,1|S<4>,2|C<2>,3|C<3>,4|H<1>}	115.9240	0.000	1	115.9240	0.000	1	117.9176	2.785	5	117.9176	2.785	5	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:2:2:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-3:C-2:C-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]S)(CN)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]CH)(C[5]N[5]O){1|C<4>,1|S<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]S)(CN)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<2>,2|C<4>,2|H<1>,3|C<3>}	118.2540	0.000	1	118.2540	0.000	1	117.9176	2.785	5	117.9176	2.785	5	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:2:2:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-3:C-2:C-2:	C[5,6a]-3:C[5,5]-4:C[6a]-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)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(CN)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]CC)(C[5]N[5]O){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(CN)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<2>,3|H<1>,4|C<3>}	118.1010	0.000	1	118.1010	0.000	1	117.9176	2.785	5	117.9176	2.785	5	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:2:2:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-3:C-2:C-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5]CC)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]N)(CN)2	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5]CC)(C[5]N[5]O){1|C<2>,1|O<1>,2|H<1>,2|N<3>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]N)(CN)2{1|C<2>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<2>,3|H<1>,5|C<3>}	118.7680	0.000	1	118.7680	0.000	1	118.7680	0.000	1	118.7680	0.000	1	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:2:3:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[6a]-3:N[5]-2:C-3:	C[5,6a]-3:C[6a]-3:C[5,5]-4:	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[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5])(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(C[5,5]C[5]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[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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(C[5,5]C[5]3){1|C<4>,1|N<2>,1|O<1>,2|C<2>,2|H<1>,4|C<3>}	115.5900	0.000	1	115.5900	0.000	1	115.5900	0.000	1	115.5900	0.000	1	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-3:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)2(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)2(C[5]N[5]O){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(CC[6a]O)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	113.5910	0.320	2	113.5910	0.102	2	112.7383	2.232	3	114.7522	5.781	41	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-3:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)2(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(COO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)2(C[5]N[5]O){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(COO)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	111.0330	0.000	1	111.0330	0.000	1	112.7383	2.232	3	114.7522	5.781	41	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]H)(C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5a]C[5a]S[5a])(N[5]C[6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|S<2>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5a]C[5a]S[5a])(N[5]C[6a]C[5])(H){1|N<3>,1|O<1>,4|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Br<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	117.8850	0.000	1	117.8850	0.000	1	117.8850	0.000	1	114.7522	5.781	41	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]CC)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]CC)(C[5]N[5]O){1|C<4>,2|H<1>,5|C<3>}	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,3|H<1>,5|C<3>}	112.1130	0.000	1	113.7650	5.458	2	114.8887	6.680	10	114.7522	5.781	41	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]CC)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]CC)(C[5]N[5]O){1|C<4>,2|H<1>,5|C<3>}	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<2>,3|H<1>,4|C<3>}	115.4170	0.000	1	113.7650	5.458	2	114.8887	6.680	10	114.7522	5.781	41	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]CH)(C[5]N[5]O){2|H<1>,6|C<3>}	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	115.1105	0.336	2	115.1105	0.113	2	114.8887	6.680	10	114.7522	5.781	41	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|H<1>,6|C<3>}	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,5|C<3>,5|H<1>}	115.9970	0.000	1	115.9970	0.000	1	114.8887	6.680	10	114.7522	5.781	41	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,2|H<1>,5|C<3>}	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|O<1>,4|C<3>,5|H<1>}	111.7095	0.309	2	111.7095	0.095	2	114.8887	6.680	10	114.7522	5.781	41	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]O[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]O[5]O){2|H<1>,5|C<3>}	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[5,6a](C[5,6a]C[6a]O[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,4|C<3>,5|H<1>}	117.2460	0.000	1	117.2460	0.000	1	114.8887	6.680	10	114.7522	5.781	41	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)2(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]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){2|H<1>,8|C<3>}	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,4|H<1>,6|C<3>}	114.6100	0.000	1	114.6100	0.000	1	114.8887	6.680	10	114.7522	5.781	41	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)2(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]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){2|H<1>,8|C<3>}	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,4|H<1>,6|C<3>}	119.8640	0.000	1	119.8640	0.000	1	114.8887	6.680	10	114.7522	5.781	41	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[5]N[5]O){1|C<4>,3|H<1>,7|C<3>}	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	116.1270	0.000	1	114.1543	2.930	3	113.3931	2.496	13	114.7522	5.781	41	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[5]N[5]O){4|H<1>,7|C<3>}	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	113.1680	0.154	2	114.1543	2.930	3	113.3931	2.496	13	114.7522	5.781	41	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5,5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]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){1|C<4>,2|H<1>,6|C<3>}	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	114.3280	0.000	1	113.1383	1.432	3	113.3931	2.496	13	114.7522	5.781	41	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5,5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]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){1|C<4>,3|H<1>,5|C<3>}	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	113.1520	0.000	1	113.1383	1.432	3	113.3931	2.496	13	114.7522	5.781	41	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5,5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]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){3|H<1>,6|C<3>}	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	111.9350	0.000	1	113.1383	1.432	3	113.3931	2.496	13	114.7522	5.781	41	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]CH)(C[5]N[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]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){1|S<4>,3|H<1>,4|C<3>}	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	113.5760	0.334	2	113.5760	0.111	2	113.3931	2.496	13	114.7522	5.781	41	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]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){2|H<1>,7|C<3>}	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	110.9310	0.000	1	110.7335	0.078	2	113.3931	2.496	13	114.7522	5.781	41	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]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){4|H<1>,5|C<3>}	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	110.5360	0.000	1	110.7335	0.078	2	113.3931	2.496	13	114.7522	5.781	41	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]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){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	113.7390	0.000	1	114.3485	0.743	2	113.3931	2.496	13	114.7522	5.781	41	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]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){2|C<4>,2|H<1>,5|C<3>}	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Br<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	114.9580	0.000	1	114.3485	0.743	2	113.3931	2.496	13	114.7522	5.781	41	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]HS)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]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){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|C<3>,4|H<1>}	114.9160	0.000	1	114.9160	0.000	1	113.3931	2.496	13	114.7522	5.781	41	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:N[5,5]-3:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5,5]C[6a]H)(C[5]N[5,5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(N[5,5]N[5,5]C[5])(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]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){1|H<1>,2|C<4>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5,5]N[5,5]C[5])(CC[6a]O)(H){1|H<1>,1|N<3>,2|C<4>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<1>,2|N<3>,3|C<3>,3|H<1>}	113.1080	0.000	1	113.1080	0.000	1	116.4867	9.588	3	114.7522	5.781	41	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:N[5,5]-3:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5,5]C[6a]H)(C[5]N[5,5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(N[5,5]N[5,5]C[5])(COO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]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){1|C<4>,1|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5,5]N[5,5]C[5])(COO)(H){1|H<1>,1|N<3>,2|C<4>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|N<3>,4|C<3>,4|H<1>}	119.1890	0.000	1	118.1760	2.052	2	116.4867	9.588	3	114.7522	5.781	41	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:N[5,5]-3:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5,5]C[6a]H)(C[5]N[5,5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(N[5,5]N[5,5]C[5])(COO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]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){1|C<4>,2|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5,5]N[5,5]C[5])(COO)(H){1|N<3>,2|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|N<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	117.1630	0.000	1	118.1760	2.052	2	116.4867	9.588	3	114.7522	5.781	41	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:N[5,5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5,5]C[6a]H)(C[5]C[5,5]CH)(C[5]N[5]O)	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]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){2|C<4>,2|H<1>,5|C<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){1|C<4>,1|N<3>,1|O<1>,6|C<3>,6|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	115.2830	0.000	1	115.2830	0.000	1	115.2507	2.569	3	114.7522	5.781	41	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:N[5,5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5,5]C[6a]H)(C[5]N[5,5]CH)(C[5]N[5]O)	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]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){1|C<4>,1|H<1>,6|C<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){1|C<4>,1|N<3>,1|O<1>,5|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|N<3>,4|C<3>,4|H<1>}	113.6320	0.000	1	115.2345	5.136	2	115.2507	2.569	3	114.7522	5.781	41	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:N[5,5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5,5]C[6a]H)(C[5]N[5,5]CH)(C[5]N[5]O)	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]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){1|H<1>,2|C<4>,5|C<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){1|C<4>,1|N<3>,1|O<1>,5|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<1>,2|N<3>,3|C<3>,3|H<1>}	116.8370	0.000	1	115.2345	5.136	2	115.2507	2.569	3	114.7522	5.781	41	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:N[5,6]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)(C[5]N[5]O)	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]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){3|H<1>,6|C<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){1|C<4>,1|N<3>,2|O<1>,5|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,6|H<1>}	119.5130	0.000	1	119.5130	0.000	1	119.5130	0.000	1	114.7522	5.781	41	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:N[5]-3:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]H)(CN[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]CH)(C[5]N[5]O){1|C<4>,1|S<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]H)(CN[5]O)(H){1|N<3>,1|O<1>,1|S<1>,2|C<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<2>,2|C<4>,2|H<1>,3|C<3>}	118.2660	0.000	1	118.2660	0.000	1	116.3990	6.971	2	114.7522	5.781	41	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:N[5]-3:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(CCH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]CH)(C[5]N[5]O){3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(CCH)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,6|H<1>}	114.5320	0.000	1	114.5320	0.000	1	116.3990	6.971	2	114.7522	5.781	41	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5,5]HH)(C[5]N[5]O)	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]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){1|C<4>,1|H<1>,7|C<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){1|N<3>,1|O<1>,4|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	116.0565	0.153	2	116.0565	0.024	2	116.7830	1.595	3	114.7522	5.781	41	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]O[5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]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){1|H<1>,6|C<3>}	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	118.2360	0.000	1	118.2360	0.000	1	116.7830	1.595	3	114.7522	5.781	41	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:N[5]-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(N[5]C[5]C){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	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[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,4|C<3>,5|H<1>}	115.4350	0.000	1	115.4350	0.000	1	115.4350	0.000	1	114.7522	5.781	41	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:N[5]-3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]HH)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]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){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	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[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	112.4370	0.000	1	112.4370	0.000	1	112.4370	0.000	1	114.7522	5.781	41	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-3:C-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]H)(COO)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]H)(COO)(H){1|N<3>,1|O<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,6|C<3>}	119.7250	0.000	1	119.7250	0.000	1	119.7250	0.000	1	117.8545	6.998	2	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(C[5]N[5]O)	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[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]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[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[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,7|C<3>}	115.9840	0.000	1	115.9840	0.000	1	115.9840	0.000	1	117.8545	6.998	2	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:3:2:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-3:C-3:C-2:	C[5,6a]-3:C[5,5]-4:C[6a]-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)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(COO)(CN)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]CC)(C[5]N[5]O){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(COO)(CN){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,3|H<1>,5|C<3>}	120.2720	0.000	1	120.2720	0.000	1	120.2720	0.000	1	116.6495	26.245	2	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:3:2:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-3:C-3:O-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]CO)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]P)(COO)(OC)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]CO)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,1|P<4>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]P)(COO)(OC){1|N<3>,2|C<2>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,1|O<1>,1|O<2>,2|C<2>,4|C<3>}	113.0270	0.000	1	113.0270	0.000	1	113.0270	0.000	1	116.6495	26.245	2	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:3:2:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-3:C-3:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]C[5]CO)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]H)(COO)(OH)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]C[5]CO)(C[5]N[5]O){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]H)(COO)(OH){1|N<3>,1|O<1>,1|S<2>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,1|S<2>,2|O<2>,5|C<3>}	119.7460	0.000	1	118.7120	2.138	2	118.7120	2.138	2	118.7120	2.138	2	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:3:2:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-3:C-3:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]C[5]CO)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]H)(COO)(OH)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]C[5]CO)(C[5]N[5]O){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]H)(COO)(OH){1|N<3>,1|O<1>,1|S<2>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,1|S<2>,2|H<1>,5|C<3>}	117.6780	0.000	1	118.7120	2.138	2	118.7120	2.138	2	118.7120	2.138	2	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:4:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CH3)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]CH)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CH3)(H){1|N<3>,1|O<1>,2|C<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<2>,2|C<4>,3|C<3>,3|H<1>}	117.1190	0.000	1	117.1190	0.000	1	115.6369	1.087	8	117.4001	8.759	30	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:4:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)2(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(CC[6a]HH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)2(C[5]N[5]O){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(CC[6a]HH)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	114.8370	0.000	1	114.8370	0.000	1	115.6369	1.087	8	117.4001	8.759	30	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:4:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)2(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(CH3)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)2(C[5]N[5]O){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(CH3)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	114.3895	0.501	2	114.3895	0.251	2	115.6369	1.087	8	117.4001	8.759	30	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:4:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)2(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CH3)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)2(C[5]N[5]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CH3)(H){1|N<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	115.4850	0.000	1	115.9695	0.469	2	115.6369	1.087	8	117.4001	8.759	30	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:4:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)2(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CH3)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)2(C[5]N[5]O){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CH3)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	116.4540	0.000	1	115.9695	0.469	2	115.6369	1.087	8	117.4001	8.759	30	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:4:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(CCHH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]CH)(C[5]N[5]O){2|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	116.2105	0.244	2	116.2105	0.060	2	115.6369	1.087	8	117.4001	8.759	30	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:4:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]CH)(C[5]N[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]CH)(C[5]N[5]C){3|H<1>,6|C<3>}	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,3|C<3>,3|C<4>,3|H<1>}	119.3045	0.463	2	119.4273	0.221	4	118.0765	10.596	21	117.4001	8.759	30	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:4:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]CH)(C[5]N[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]CH)(C[5]N[5]C){3|H<1>,6|C<3>}	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	119.5500	0.622	2	119.4273	0.221	4	118.0765	10.596	21	117.4001	8.759	30	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:4:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]CH)(C[5]N[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]CH)(C[5]N[5]H){3|H<1>,6|C<3>}	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){2|C<4>,3|C<3>,5|H<1>}	113.8710	0.000	1	113.8710	0.000	1	118.0765	10.596	21	117.4001	8.759	30	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:4:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]CH)(C[5]N[5]O){5|C<3>,5|H<1>}	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	121.3375	0.022	2	121.3375	0.000	2	118.0765	10.596	21	117.4001	8.759	30	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:4:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,3|H<1>,6|C<3>}	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	114.8840	0.000	1	115.0760	0.074	2	118.0765	10.596	21	117.4001	8.759	30	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:4:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,3|H<1>,6|C<3>}	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	115.2680	0.000	1	115.0760	0.074	2	118.0765	10.596	21	117.4001	8.759	30	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:4:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CN)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	120.0750	3.826	4	120.0750	14.637	4	118.0765	10.596	21	117.4001	8.759	30	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:4:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<2>,2|H<1>,5|C<3>}	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	110.3960	0.000	1	115.1668	8.305	5	118.0765	10.596	21	117.4001	8.759	30	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:4:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	117.6180	0.000	1	115.1668	8.305	5	118.0765	10.596	21	117.4001	8.759	30	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:4:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	115.9400	1.153	3	115.1668	8.305	5	118.0765	10.596	21	117.4001	8.759	30	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:4:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[5]N[5]O){1|C<4>,3|H<1>,7|C<3>}	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	118.1320	0.000	1	119.6887	1.843	3	118.0765	10.596	21	117.4001	8.759	30	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:4:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[5]N[5]O){4|H<1>,7|C<3>}	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	120.4670	0.228	2	119.6887	1.843	3	118.0765	10.596	21	117.4001	8.759	30	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:4:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]S)(CCHH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]CH)(C[5]N[5]O){1|S<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]S)(CCHH)(H){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	117.3020	0.000	1	117.3020	0.000	1	117.3020	0.000	1	117.4001	8.759	30	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:4:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[5]N[5]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)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]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[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[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	117.6425	4.284	2	117.6425	18.356	2	117.6425	18.356	2	117.7070	9.190	3	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:4:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:N-3:	C[5,5]-4:C[6a]-3:N[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[6a]N[5]H)(NOO)	C[5](C[5,5]C[5,6a]C[5,5]N)(C[6a]C[6a]2)(N[5]C[5]HH)(H)	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[6a]N[5]H)(NOO){1|C<4>,1|S<4>,3|H<1>,5|C<3>}	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[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<4>,1|S<4>,2|C<3>,4|H<1>}	117.8360	0.000	1	117.8360	0.000	1	117.8360	0.000	1	117.7070	9.190	3	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:4:3:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:N[5,5]-3:C-4:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5,5]CC)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(CCHH)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5,5]CC)(C[5]N[5]O){2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(CCHH)(COO){1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	112.6480	0.000	1	112.6480	0.000	1	112.6480	0.000	1	112.6632	2.497	5	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:4:3:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:N[5]-3:C-4:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]CC)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(CCHH)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]CC)(C[5]N[5]O){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(CCHH)(COO){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	111.4550	0.000	1	112.3140	4.246	3	112.6670	3.329	4	112.6632	2.497	5	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:4:3:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:N[5]-3:C-4:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]CC)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(CCHH)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]CC)(C[5]N[5]O){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(CCHH)(COO){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	114.6650	0.000	1	112.3140	4.246	3	112.6670	3.329	4	112.6632	2.497	5	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:4:3:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:N[5]-3:C-4:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]CC)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(CCHH)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]CC)(C[5]N[5]O){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(CCHH)(COO){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|F<1>,1|N<3>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	110.8220	0.000	1	112.3140	4.246	3	112.6670	3.329	4	112.6632	2.497	5	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:4:3:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:N[5]-3:C-4:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]CC)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]H)(CCHH)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]CC)(C[5]N[5]O){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]H)(CCHH)(COO){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	113.7260	0.000	1	113.7260	0.000	1	112.6670	3.329	4	112.6632	2.497	5	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,3x6]-4:C[5,5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,3x6]HH)(C[5]C[5,6,6]CC)(C[5]N[5]O)	C[5](C[5,3x6]C[5,6,6]C[6,6]N[6,6])(C[5,5]C[5,6a]C[5]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6,6a]H)(C[5,5]C[5]3)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,3x6]HH)(C[5]C[5,6,6]CC)(C[5]N[5]O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[5,3x6]C[5,6,6]C[6,6]N[6,6])(C[5,5]C[5,6a]C[5]2)(H)2{2|H<1>,2|N<3>,2|O<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6,6a]H)(C[5,5]C[5]3){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	113.5350	0.000	1	113.5350	0.000	1	113.5350	0.000	1	114.1585	0.778	2	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:H-1:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5,5]-4:	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)2(C[5]C[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(H)2	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,5]C[5]3)	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)2(C[5]C[5]O){3|C<3>,6|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,5]C[5]3){1|O<1>,2|C<4>,3|C<3>,8|H<1>}	114.7820	0.000	1	114.7820	0.000	1	114.7820	0.000	1	114.1585	0.778	2	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:C[5]-4:H-1:H-1:	C[6a,6a]-3:C[5,5]-4:C[5,6a]-3:	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[5]O[5]O)(C[5]C[5]HH)(COO)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]C[5]HH)(H)2	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]O[5])	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[5]O[5]O)(C[5]C[5]HH)(COO){3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>,2|O<2>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]O[5]){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	113.3390	0.468	4	113.3390	0.219	4	113.3390	0.219	4	114.6618	4.059	65	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[3,5,6]-4:C[5,5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5,6]CC)(C[5]C[3,5,6]HH)(C[5]N[5]O)	C[5](C[3,5,6]C[3,5,6]C[6]O[3])(C[5,5]C[5,6a]C[5]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5,6]CC)(C[5]C[3,5,6]HH)(C[5]N[5]O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5](C[3,5,6]C[3,5,6]C[6]O[3])(C[5,5]C[5,6a]C[5]2)(H)2{1|O<1>,2|C<3>,2|H<1>,2|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	115.7660	0.000	1	115.7660	0.000	1	115.7660	0.000	1	114.6618	4.059	65	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,3x6]-4:C[5,5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,3x6]HH)(C[5]C[5,6,6]CC)(C[5]N[5]O)	C[5](C[5,3x6]C[5,6,6]C[6,6]N[6,6])(C[5,5]C[5,6a]C[5]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,3x6]HH)(C[5]C[5,6,6]CC)(C[5]N[5]O){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,3x6]C[5,6,6]C[6,6]N[6,6])(C[5,5]C[5,6a]C[5]2)(H)2{1|O<1>,2|N<3>,3|C<3>,3|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	119.0030	0.000	2	118.1663	2.100	3	118.1663	2.100	3	114.6618	4.059	65	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,3x6]-4:C[5,5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,3x6]HH)(C[5]C[5,6,6]CC)(C[5]N[5]O)	C[5](C[5,3x6]C[5,6,6]C[6,6]N[6,6])(C[5,5]C[5,6a]C[5]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,3x6]HH)(C[5]C[5,6,6]CC)(C[5]N[5]O){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,3x6]C[5,6,6]C[6,6]N[6,6])(C[5,5]C[5,6a]C[5]2)(H)2{1|O<1>,2|N<3>,3|C<3>,3|H<1>,4|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	116.4930	0.000	1	118.1663	2.100	3	118.1663	2.100	3	114.6618	4.059	65	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CC)(C[5]C[5,5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,5]N[5,6]C)(C[5,5]C[5,6a]C[5]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CC)(C[5]C[5,5]HH)(C[5]N[5]O){1|H<1>,1|N<3>,1|O<2>,2|C<4>,3|C<3>}	C[5](C[5,5]C[5,5]N[5,6]C)(C[5,5]C[5,6a]C[5]2)(H)2{1|N<3>,1|O<1>,1|O<2>,3|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	116.9610	0.000	1	116.9610	0.000	1	115.3180	2.031	3	114.6618	4.059	65	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5,5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,5]C[5,6a]C[5]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]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){1|C<4>,1|H<1>,7|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,5]C[5,6a]C[5]2)(H)2{1|H<1>,2|N<3>,2|O<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	114.4965	0.117	2	114.4965	0.014	2	115.3180	2.031	3	114.6618	4.059	65	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]CC)(C[5]C[5,6]HH)(C[5]N[5,6]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]N)(H)2	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]CC)(C[5]C[5,6]HH)(C[5]N[5,6]O){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]N)(H)2{1|O<1>,2|C<3>,2|N<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,5|C<4>}	117.8240	0.000	1	117.8240	0.000	1	117.8240	0.000	1	114.6618	4.059	65	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CC)(C[5]C[5,6]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]N)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CC)(C[5]C[5,6]HH)(C[5]N[5]O){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]N)(H)2{1|N<3>,1|N<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|O<1>,4|C<4>,4|H<1>}	115.3050	0.000	1	114.8415	0.381	4	114.5044	1.076	7	114.6618	4.059	65	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CC)(C[5]C[5,6]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]N)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CC)(C[5]C[5,6]HH)(C[5]N[5]O){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]N)(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>,2|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|O<1>,4|C<4>,4|H<1>}	115.4430	0.000	1	114.8415	0.381	4	114.5044	1.076	7	114.6618	4.059	65	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CC)(C[5]C[5,6]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]N)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CC)(C[5]C[5,6]HH)(C[5]N[5]O){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]N)(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>,2|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|O<1>,4|C<4>,4|H<1>}	114.3090	0.000	2	114.8415	0.381	4	114.5044	1.076	7	114.6618	4.059	65	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CC)(C[5]C[5,6]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]O)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CC)(C[5]C[5,6]HH)(C[5]N[5]O){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]O)(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>,2|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|O<1>,3|H<1>,5|C<4>}	114.9990	0.000	1	114.9990	0.000	1	114.5044	1.076	7	114.6618	4.059	65	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]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){2|C<4>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(H)2{1|C<4>,1|O<1>,2|N<3>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	112.3760	0.000	1	112.3760	0.000	1	114.5044	1.076	7	114.6618	4.059	65	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]N[5,6]C[6]H)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]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){3|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]N[5,6]C[6]H)(H)2{1|H<1>,2|N<3>,2|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,6|H<1>}	114.7900	0.000	1	114.7900	0.000	1	114.5044	1.076	7	114.6618	4.059	65	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]C[6a]O)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<2>,5|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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	111.5030	0.000	1	113.5206	3.865	5	114.6132	3.112	30	114.6618	4.059	65	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]C[6a]O)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<2>,5|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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	114.0250	1.860	4	113.5206	3.865	5	114.6132	3.112	30	114.6618	4.059	65	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]C[6a]H)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]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){1|C<4>,2|H<1>,7|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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	115.2185	1.917	2	115.2185	3.675	2	114.6132	3.112	30	114.6618	4.059	65	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]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){2|C<4>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	114.4730	0.000	1	114.4730	0.000	1	114.6132	3.112	30	114.6618	4.059	65	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]CH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]CH)(C[5]N[5]O){3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]CH)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,6|H<1>}	115.4610	0.000	1	115.4610	0.000	1	114.6132	3.112	30	114.6618	4.059	65	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]CH)(C[5]N[5]O){1|S<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	113.9640	0.000	1	113.9640	0.000	1	114.6132	3.112	30	114.6618	4.059	65	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]CH)(C[5]O[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]O[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]CH)(C[5]O[5]O){1|S<4>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]O[5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,1|S<4>,2|C<4>,5|H<1>}	115.4740	0.000	1	115.4740	0.000	1	114.6132	3.112	30	114.6618	4.059	65	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]HH)(C[5]N[5]O){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,7|H<1>}	113.5790	0.000	1	113.5790	0.000	1	114.6132	3.112	30	114.6618	4.059	65	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]O[5]CC)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]O[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]O[5]CC)(C[5]N[5]O){2|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]O[5]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<3>,1|I<1>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	112.3620	0.000	1	112.3620	0.000	1	114.6132	3.112	30	114.6618	4.059	65	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]O[5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]O[5]H)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]O[5]CH)(C[5]N[5]O){1|C<4>,2|H<1>,3|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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	112.1730	0.000	1	112.1730	0.000	1	114.6132	3.112	30	114.6618	4.059	65	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)2(C[5]C[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)2(C[5]C[5]O){1|O<2>,2|C<3>,6|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]O){1|C<3>,1|O<1>,2|C<4>,8|H<1>}	113.7810	0.000	1	113.7810	0.000	1	114.6132	3.112	30	114.6618	4.059	65	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]H)(C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]CH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|S<2>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]CH)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Br<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	116.2280	0.000	1	116.2280	0.000	1	114.6132	3.112	30	114.6618	4.059	65	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(H)2{1|H<1>,1|O<1>,2|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	114.1617	0.238	4	114.7768	0.582	10	114.6132	3.112	30	114.6618	4.059	65	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(H)2{1|O<1>,2|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	115.0040	0.000	1	114.7768	0.582	10	114.6132	3.112	30	114.6618	4.059	65	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,3|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(H)2{1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	114.8235	0.114	2	114.7768	0.582	10	114.6132	3.112	30	114.6618	4.059	65	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(H)2{1|O<1>,2|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	115.4900	0.991	3	114.7768	0.582	10	114.6132	3.112	30	114.6618	4.059	65	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CO)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<2>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CO)(H)2{1|O<1>,2|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	118.5720	0.000	1	118.5720	0.000	1	114.6132	3.112	30	114.6618	4.059	65	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]CH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]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){2|C<4>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]CH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Br<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	114.2490	0.000	1	114.2490	0.000	1	114.6132	3.112	30	114.6618	4.059	65	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(C[5]C[5]HH)(C[5]N[5]N)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]O[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]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){4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]O[5]HH)(H)2{1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,6|H<1>}	112.8830	0.000	1	112.8830	0.000	1	114.6132	3.112	30	114.6618	4.059	65	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(C[5]C[5]HH)(C[5]O[5]N)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]O[5]H)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[5,5]C[5]3)(C[6a]C[6a]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){2|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[5,6a](C[5,6a]C[6a]O[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,5|H<1>}	119.3890	0.000	1	119.3890	0.000	1	114.6132	3.112	30	114.6618	4.059	65	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]HN)(N[5]C[5]S)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]HN)(N[5]C[5]S){3|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(H)2{1|N<2>,1|N<3>,1|S<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<2>,1|S<4>,2|C<3>,2|C<4>,5|H<1>}	112.8340	1.827	4	112.8340	3.338	4	114.1058	6.172	16	114.6618	4.059	65	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]HO)(N[5]C[5]S)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]HO)(N[5]C[5]S){3|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(H)2{1|N<3>,1|O<2>,1|S<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<2>,1|S<4>,2|C<3>,3|C<4>,4|H<1>}	113.9840	0.136	2	113.9840	0.018	2	114.1058	6.172	16	114.6618	4.059	65	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)2(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)2(N[5]C[5]C){1|O<1>,2|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,8|H<1>}	112.3610	0.000	1	112.3610	0.000	1	114.1058	6.172	16	114.6618	4.059	65	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)2(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)2(N[5]C[5]H){1|O<1>,2|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,9|H<1>}	112.8600	0.000	1	112.8600	0.000	1	114.1058	6.172	16	114.6618	4.059	65	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)2(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)2(N[5]C[5]H){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]O){1|Br<1>,1|C<4>,2|C<3>,8|H<1>}	117.3460	0.000	1	117.8810	0.836	3	114.1058	6.172	16	114.6618	4.059	65	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)2(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)2(N[5]C[5]H){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]O){1|C<4>,2|C<3>,9|H<1>}	118.1485	1.115	2	117.8810	0.836	3	114.1058	6.172	16	114.6618	4.059	65	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)2(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]P)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)2(N[5]C[5]H){1|O<1>,1|P<4>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]P){1|C<4>,2|C<3>,9|H<1>}	112.3357	0.193	3	113.5050	6.306	5	114.1058	6.172	16	114.6618	4.059	65	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)2(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]P)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)2(N[5]C[5]H){1|P<3>,2|C<3>,6|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]P){1|C<3>,2|C<4>,9|H<1>}	115.2590	3.859	2	113.5050	6.306	5	114.1058	6.172	16	114.6618	4.059	65	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(COO)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]C[6a]N[5]C)(H)2	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(COO){2|H<1>,5|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[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	112.4510	0.137	4	112.4510	0.019	4	112.4510	0.019	4	114.3801	10.805	17	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:N-3:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(NC[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]N[5]CH)(H)2	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(NC[6a]H){1|S<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]N[5]CH)(H)2{1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	109.8735	0.262	2	109.8735	0.069	2	112.4936	9.973	5	114.3801	10.805	17	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:N-3:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(NC[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]N[5]HH)(H)2	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(NC[6a]H){1|S<4>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	111.6510	0.000	1	111.6510	0.000	1	112.4936	9.973	5	114.3801	10.805	17	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:N-3:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(NOO)	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]N[5]CH)(H)2	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(NOO){1|N<2>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]N[5]CH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,5|H<1>}	115.5350	2.623	2	115.5350	6.882	2	112.4936	9.973	5	114.3801	10.805	17	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6]N[5,6]C[6]H)(H)2	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[5]N[5]O){2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6]N[5,6]C[6]H)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<1>,2|C<4>,6|H<1>}	120.3940	0.000	1	120.8255	0.372	2	120.8255	0.372	2	114.3801	10.805	17	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6]N[5,6]C[6]H)(H)2	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[5]N[5]O){3|C<3>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6]N[5,6]C[6]H)(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,5|H<1>}	121.2570	0.000	1	120.8255	0.372	2	120.8255	0.372	2	114.3801	10.805	17	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(H)2	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(C[5]N[5]O){4|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,6|H<1>}	118.0480	0.000	1	118.0480	0.000	1	115.0897	2.756	6	114.3801	10.805	17	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]HH)(H)2	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,3|C<3>,6|H<1>}	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,6|H<1>}	115.5440	0.000	1	114.4980	0.819	5	115.0897	2.756	6	114.3801	10.805	17	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]HH)(H)2	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(C[5]N[5]O){2|C<3>,2|C<4>,6|H<1>}	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,6|H<1>}	114.2365	0.798	4	114.4980	0.819	5	115.0897	2.756	6	114.3801	10.805	17	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:2:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]C[5]HO)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]C[6a]O)(OC)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]C[5]HO)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<2>,5|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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	110.7310	0.000	1	112.1023	3.703	3	111.9128	2.612	4	111.9128	2.612	4	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:2:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]C[5]HO)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]C[6a]O)(OC)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]C[5]HO)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<2>,5|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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|F<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	111.2740	0.000	1	112.1023	3.703	3	111.9128	2.612	4	111.9128	2.612	4	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:2:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]C[5]HO)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]C[6a]O)(OC)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]C[5]HO)(C[5]N[5]O){1|O<2>,2|H<1>,5|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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	114.3020	0.000	1	112.1023	3.703	3	111.9128	2.612	4	111.9128	2.612	4	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:2:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(C[5]S[5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]S[5]HH)(OH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(C[5]S[5]CH)(C[5]N[5]O){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]S[5]HH)(OH)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,1|O<2>,1|S<2>,2|C<3>,2|C<4>,4|H<1>}	111.3440	0.000	1	111.3440	0.000	1	111.9128	2.612	4	111.9128	2.612	4	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:2:2:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C-2:C-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]N[5]H)(CN)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]HH)(C[5]N[5]O){1|C<4>,3|C<3>,3|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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|C<2>,5|H<1>}	115.6132	0.934	4	115.6132	0.872	4	115.6216	0.686	7	115.6216	0.686	7	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:2:2:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C-2:C-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(CN)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]HH)(C[5]N[5]O){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(CN)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<2>,2|C<3>,4|H<1>}	115.1030	0.000	1	115.6327	0.750	3	115.6216	0.686	7	115.6216	0.686	7	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:2:2:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C-2:C-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(CN)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]HH)(C[5]N[5]O){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(CN)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<2>,2|C<4>,4|H<1>}	115.1630	0.000	1	115.6327	0.750	3	115.6216	0.686	7	115.6216	0.686	7	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:2:2:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C-2:C-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(CN)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]HH)(C[5]N[5]O){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(CN)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<2>,3|C<4>,3|H<1>}	116.6320	0.000	1	115.6327	0.750	3	115.6216	0.686	7	115.6216	0.686	7	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,5]-4:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)2(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)2(CC[6a]O)(H){1|O<2>,2|H<1>,2|N<3>,2|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	119.8200	0.000	1	118.9203	0.767	3	116.5607	5.633	24	115.7793	5.655	47	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,5]-4:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)2(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)2(CC[6a]O)(H){1|O<2>,2|H<1>,2|N<3>,2|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	118.4705	0.566	2	118.9203	0.767	3	116.5607	5.633	24	115.7793	5.655	47	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,5]-4:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)2(COO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)2(COO)(H){1|O<2>,2|H<1>,2|N<3>,2|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	118.6725	2.371	2	118.6725	5.621	2	116.5607	5.633	24	115.7793	5.655	47	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,5]-4:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]C[5]HO)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)2(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]C[5]HO)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)2(CC[6a]O)(H){1|H<1>,2|N<3>,2|O<1>,2|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	120.9830	0.000	1	118.7947	6.409	3	116.5607	5.633	24	115.7793	5.655	47	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,5]-4:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]C[5]HO)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)2(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]C[5]HO)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)2(CC[6a]O)(H){1|H<1>,2|N<3>,2|O<1>,2|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|F<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	119.3790	0.000	1	118.7947	6.409	3	116.5607	5.633	24	115.7793	5.655	47	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,5]-4:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]C[5]HO)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)2(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]C[5]HO)(C[5]N[5]O){1|O<2>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)2(CC[6a]O)(H){1|H<1>,2|N<3>,2|O<1>,2|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	116.0220	0.000	1	118.7947	6.409	3	116.5607	5.633	24	115.7793	5.655	47	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,5]-4:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5,5]CC)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]N[5,5]C[5]H)(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5,5]CC)(C[5]N[5]O){2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]N[5,5]C[5]H)(CC[6a]O)(H){1|N<3>,1|O<1>,1|S<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	114.7050	0.000	1	114.7050	0.000	1	116.5607	5.633	24	115.7793	5.655	47	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,5]-4:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]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){1|C<4>,3|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(CC[6a]O)(H){2|H<1>,2|N<3>,2|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	113.7770	0.000	1	113.7770	0.000	1	116.5607	5.633	24	115.7793	5.655	47	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,5]-4:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(COO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]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){3|H<1>,7|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(COO)(H){2|H<1>,2|N<3>,2|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	116.4890	0.000	1	116.4890	0.000	1	116.5607	5.633	24	115.7793	5.655	47	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,5]-4:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(C[5]C[5,5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)2(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	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[5](C[5,5]C[5,6a]C[5]2)2(CC[6a]O)(H){1|H<1>,2|N<3>,2|O<1>,2|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	114.1870	0.000	1	114.6239	0.380	7	116.5607	5.633	24	115.7793	5.655	47	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,5]-4:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(C[5]C[5,5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)2(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	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[5](C[5,5]C[5,6a]C[5]2)2(CC[6a]O)(H){1|H<1>,2|N<3>,2|O<1>,2|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|F<1>,1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	115.0340	0.000	1	114.6239	0.380	7	116.5607	5.633	24	115.7793	5.655	47	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,5]-4:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(C[5]C[5,5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)2(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	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[5](C[5,5]C[5,6a]C[5]2)2(CC[6a]O)(H){1|N<3>,1|O<2>,2|H<1>,2|O<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	114.8200	0.000	1	114.6239	0.380	7	116.5607	5.633	24	115.7793	5.655	47	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,5]-4:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(C[5]C[5,5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)2(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	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[5](C[5,5]C[5,6a]C[5]2)2(CC[6a]O)(H){1|O<2>,2|H<1>,2|N<3>,2|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	115.4230	0.000	1	114.6239	0.380	7	116.5607	5.633	24	115.7793	5.655	47	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,5]-4:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(C[5]C[5,5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)2(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	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[5](C[5,5]C[5,6a]C[5]2)2(CC[6a]O)(H){1|O<2>,2|H<1>,2|N<3>,2|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,1|O<2>,3|C<3>,3|C<4>,3|H<1>}	115.0900	0.000	1	114.6239	0.380	7	116.5607	5.633	24	115.7793	5.655	47	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,5]-4:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(C[5]C[5,5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)2(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	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[5](C[5,5]C[5,6a]C[5]2)2(CC[6a]O)(H){1|H<1>,2|N<3>,2|O<1>,2|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	113.9080	0.000	1	114.6239	0.380	7	116.5607	5.633	24	115.7793	5.655	47	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,5]-4:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(C[5]C[5,5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)2(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	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[5](C[5,5]C[5,6a]C[5]2)2(CC[6a]O)(H){1|O<2>,2|H<1>,2|N<3>,2|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	113.9050	0.000	1	114.6239	0.380	7	116.5607	5.633	24	115.7793	5.655	47	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,5]-4:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(C[5]C[5,5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)2(COO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	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[5](C[5,5]C[5,6a]C[5]2)2(COO)(H){1|O<2>,2|H<1>,2|N<3>,2|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	116.3100	3.855	2	116.3100	14.862	2	116.5607	5.633	24	115.7793	5.655	47	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,5]-4:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5,5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2N[5])(COO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]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){1|C<4>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2N[5])(COO)(H){1|C<4>,1|N<3>,1|O<2>,2|O<1>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	118.1040	0.000	1	118.1040	0.000	1	116.5607	5.633	24	115.7793	5.655	47	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,5]-4:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5,5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,5]C[5,6a]C[5]2)(CCO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]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){1|C<4>,2|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,5]C[5,6a]C[5]2)(CCO)(H){2|H<1>,2|N<3>,2|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	115.3370	0.000	1	115.3370	0.000	1	116.5607	5.633	24	115.7793	5.655	47	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,5]-4:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5,5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,5]C[5,6a]C[5]2)(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]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){3|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,5]C[5,6a]C[5]2)(CC[6a]O)(H){2|H<1>,2|N<3>,2|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	119.0530	0.000	1	119.0530	0.000	1	116.5607	5.633	24	115.7793	5.655	47	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,5]-4:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5,5]C[6a]H)(C[5]C[5,5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]N[5,5]C[5]H)(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]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){2|C<4>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]N[5,5]C[5]H)(CC[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	114.5160	0.000	1	114.5160	0.000	1	116.5607	5.633	24	115.7793	5.655	47	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(C[5]N[5]O)	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]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){1|C<4>,3|H<1>,6|C<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){2|N<3>,2|O<1>,4|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	117.6650	0.000	1	115.9990	5.551	2	113.6348	8.105	5	115.7793	5.655	47	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(C[5]N[5]O)	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]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){3|H<1>,7|C<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){1|Br<1>,2|N<3>,2|O<1>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	114.3330	0.000	1	115.9990	5.551	2	113.6348	8.105	5	115.7793	5.655	47	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]3)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]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){1|C<4>,2|H<1>,7|C<3>}	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	111.1345	1.764	2	112.0587	4.119	3	113.6348	8.105	5	115.7793	5.655	47	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]3)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]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){2|C<4>,3|H<1>,5|C<3>}	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	113.9070	0.000	1	112.0587	4.119	3	113.6348	8.105	5	115.7793	5.655	47	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(C[5]N[5]O)	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]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){2|C<4>,3|H<1>,5|C<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){1|C<4>,1|N<3>,1|O<1>,5|C<3>,6|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	117.3780	0.000	1	117.3780	0.000	1	117.3780	0.000	1	115.7793	5.655	47	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]C[5]CO)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HN)(COO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]C[5]CO)(C[5]N[5]O){1|N<3>,2|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HN)(COO)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Br<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	118.1950	0.000	1	118.1950	0.000	1	115.3022	3.354	16	115.7793	5.655	47	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]CC)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]CH)(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]CC)(C[5]N[5]O){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]CH)(CC[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	114.2110	0.000	1	114.2110	0.000	1	115.3022	3.354	16	115.7793	5.655	47	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]CC)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]CC)(C[5]N[5]O){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(CC[6a]O)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	114.2690	0.000	1	114.5507	1.769	3	115.3022	3.354	16	115.7793	5.655	47	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]CC)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]CC)(C[5]N[5]O){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(CC[6a]O)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	113.3840	0.000	1	114.5507	1.769	3	115.3022	3.354	16	115.7793	5.655	47	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]CC)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]CC)(C[5]N[5]O){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(CC[6a]O)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|F<1>,1|N<3>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	115.9990	0.000	1	114.5507	1.769	3	115.3022	3.354	16	115.7793	5.655	47	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]N[5]C)(COO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]HH)(C[5]N[5]O){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|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	116.0270	0.000	1	116.0270	0.000	1	115.3022	3.354	16	115.7793	5.655	47	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]HH)(C[5]N[5]O){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(CC[6a]O)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	118.5440	0.000	1	117.9660	0.668	2	115.3022	3.354	16	115.7793	5.655	47	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]HH)(C[5]N[5]O){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(CC[6a]O)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	117.3880	0.000	1	117.9660	0.668	2	115.3022	3.354	16	115.7793	5.655	47	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)2(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CC)(COO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)2(C[5]N[5]O){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CC)(COO)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|F<1>,1|O<1>,2|C<3>,3|H<1>,4|C<4>}	115.3600	0.000	1	115.3600	0.000	1	115.3022	3.354	16	115.7793	5.655	47	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]CH)(C[5]N[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CCH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]CH)(C[5]N[5]C){3|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CCH)(H){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,3|C<3>,3|C<4>,3|H<1>}	112.9370	0.291	2	113.2375	0.199	4	115.3022	3.354	16	115.7793	5.655	47	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]CH)(C[5]N[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CCH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]CH)(C[5]N[5]C){3|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CCH)(H){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	113.5380	0.387	2	113.2375	0.199	4	115.3022	3.354	16	115.7793	5.655	47	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]CH)(C[5]N[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CCH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]CH)(C[5]N[5]H){3|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CCH)(H){1|N<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){2|C<4>,3|C<3>,5|H<1>}	116.4090	0.000	1	116.4090	0.000	1	115.3022	3.354	16	115.7793	5.655	47	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]CH)(C[5]N[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(CCH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]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){1|S<4>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(CCH)(H){1|N<2>,1|S<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	116.0495	0.364	2	116.0495	0.133	2	115.3022	3.354	16	115.7793	5.655	47	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:N[5,5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5,5]C[6a]H)(C[5]N[5,5]CH)(C[5]N[5]O)	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]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){1|C<4>,2|H<1>,6|C<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){1|C<4>,1|N<3>,1|O<1>,5|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|N<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	113.7800	0.000	1	113.7800	0.000	1	113.7800	0.000	1	115.7793	5.655	47	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,5]-4:C-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5,6a]N[5,5]C[5])(CC[6a]O)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[5]N[5]O){2|C<4>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5,6a]N[5,5]C[5])(CC[6a]O)(H){1|H<1>,1|N<3>,2|C<4>,2|O<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	119.6090	0.000	1	119.6090	0.000	1	118.8475	0.299	4	116.3712	2.828	35	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,5]-4:C-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]N[5,5]C[5]2)(CC[6a]O)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[5]N[5]O){2|C<4>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]N[5,5]C[5]2)(CC[6a]O)(H){1|H<1>,1|N<3>,2|C<4>,3|O<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	118.5937	0.249	3	118.5937	0.062	3	118.8475	0.299	4	116.3712	2.828	35	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(C[5]N[5]O)	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[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(C[5]N[5]O){1|C<4>,4|C<3>,5|H<1>}	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[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	118.6500	0.000	1	118.6500	0.000	1	116.2510	1.295	12	116.3712	2.828	35	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]CH)(COO)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]CH)(COO)(H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|H<1>,3|C<4>,4|C<3>}	115.1920	0.225	2	115.7300	1.119	6	116.2510	1.295	12	116.3712	2.828	35	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]CH)(COO)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]CH)(COO)(H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,1|O<1>,2|H<1>,3|C<4>,4|C<3>}	116.3690	1.411	2	115.7300	1.119	6	116.2510	1.295	12	116.3712	2.828	35	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]CH)(COO)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]CH)(COO)(H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<4>,3|H<1>,4|C<3>}	115.6290	1.461	2	115.7300	1.119	6	116.2510	1.295	12	116.3712	2.828	35	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]S[5]H)(C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5,5]CH)(CC[6a]O)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]S[5]H)(C[5]C[5]CH)(C[5]N[5]O){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5,5]CH)(CC[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,1|S<2>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|C<4>,3|H<1>}	116.2070	0.388	4	116.3964	0.292	5	116.2510	1.295	12	116.3712	2.828	35	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]S[5]H)(C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5,5]CH)(CC[6a]O)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]S[5]H)(C[5]C[5]CH)(C[5]N[5]O){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5,5]CH)(CC[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,1|S<2>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|C<4>,4|H<1>}	117.1540	0.000	1	116.3964	0.292	5	116.2510	1.295	12	116.3712	2.828	35	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[5]N[5]O)	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[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]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[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[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	113.4235	1.853	2	113.4235	3.435	2	113.4235	3.435	2	116.3712	2.828	35	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:N-3:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]CH)(NOO)	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]C[5]HH)(CCH)(H)	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]C)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]CH)(NOO){1|S<4>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]C[5]HH)(CCH)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]C){1|S<4>,2|C<3>,2|C<4>,4|H<1>}	115.9200	0.000	1	115.9200	0.000	1	116.4399	3.897	9	116.3712	2.828	35	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:N-3:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]CH)(NOO)	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]C[5]HH)(CCH)(H)	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]CH)(NOO){1|S<4>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]C[5]HH)(CCH)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,4|H<1>}	120.3300	0.000	1	116.9188	4.338	5	116.4399	3.897	9	116.3712	2.828	35	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:N-3:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]CH)(NOO)	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]C[5]HH)(CCH)(H)	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]CH)(NOO){2|C<2>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]C[5]HH)(CCH)(H){1|H<1>,1|N<3>,2|C<2>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	116.0660	0.967	4	116.9188	4.338	5	116.4399	3.897	9	116.3712	2.828	35	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:N-3:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]CH)(NOO)	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]N[5]HH)(CCH)(H)	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]C)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]CH)(NOO){2|H<1>,2|S<4>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]N[5]HH)(CCH)(H){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]C){1|C<4>,1|N<3>,1|S<4>,2|C<3>,4|H<1>}	113.2810	0.000	1	113.2810	0.000	1	116.4399	3.897	9	116.3712	2.828	35	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:N-3:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]CH)(NOO)	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]N[5]HH)(CCH)(H)	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]CH)(NOO){1|S<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]N[5]HH)(CCH)(H){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	117.0820	1.264	2	117.0820	1.598	2	116.4399	3.897	9	116.3712	2.828	35	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(CCO)(H)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]CH)(C[5]N[5]O){4|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(CCO)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	117.2810	0.000	1	117.2810	0.000	1	116.0238	0.589	6	116.3712	2.828	35	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(CC[6a]O)(H)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]CH)(C[5]N[5]O){4|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(CC[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	115.6285	0.429	2	115.6285	0.184	2	116.0238	0.589	6	116.3712	2.828	35	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(COO)(H)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]CH)(C[5]N[5]O){1|Br<1>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(COO)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	115.9335	0.878	2	115.9335	0.770	2	116.0238	0.589	6	116.3712	2.828	35	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]O[6]H)(C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(CC[6a]O)(H)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]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>}	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(CC[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	115.7380	0.000	1	115.7380	0.000	1	116.0238	0.589	6	116.3712	2.828	35	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:3:1:	4:3:3:	C[5,6a]-3:N[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CCO)(H)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(C[5]N[5]O){2|C<4>,3|C<3>,6|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[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	115.8210	0.086	2	115.8210	0.007	2	115.8210	0.007	2	116.3712	2.828	35	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:3:2:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C[6a]-3:O-2:	C[5,6a]-3:C[5,5]-4:C[6a]-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)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]HH)(C[6a]C[6a]2)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	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[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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	114.8765	0.446	2	114.4217	3.199	6	114.6371	2.200	9	114.6371	2.200	9	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:3:2:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C[6a]-3:O-2:	C[5,6a]-3:C[5,5]-4:C[6a]-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)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]HH)(C[6a]C[6a]2)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	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[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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,1|O<2>,3|C<3>,3|C<4>,3|H<1>}	114.7840	0.000	1	114.4217	3.199	6	114.6371	2.200	9	114.6371	2.200	9	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:3:2:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C[6a]-3:O-2:	C[5,6a]-3:C[5,5]-4:C[6a]-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)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]HH)(C[6a]C[6a]2)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	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[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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	113.9977	2.712	3	114.4217	3.199	6	114.6371	2.200	9	114.6371	2.200	9	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:3:2:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C[6a]-3:O-2:	C[5,6a]-3:C[5,5]-4:C[6a]-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)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]HO)(C[6a]C[6a]2)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	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[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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	114.9840	0.000	1	115.0680	0.386	3	114.6371	2.200	9	114.6371	2.200	9	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:3:2:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C[6a]-3:O-2:	C[5,6a]-3:C[5,5]-4:C[6a]-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)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]HO)(C[6a]C[6a]2)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	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[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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|F<1>,1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	114.4930	0.000	1	115.0680	0.386	3	114.6371	2.200	9	114.6371	2.200	9	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:3:2:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C[6a]-3:O-2:	C[5,6a]-3:C[5,5]-4:C[6a]-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)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]HO)(C[6a]C[6a]2)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	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[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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	115.7270	0.000	1	115.0680	0.386	3	114.6371	2.200	9	114.6371	2.200	9	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:4:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)2(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(CHHO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)2(C[5]N[5]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(CHHO)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	116.0780	0.000	1	115.8995	0.064	2	116.9037	7.958	7	116.9037	7.958	7	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:4:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)2(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(CHHO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)2(C[5]N[5]O){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(CHHO)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	115.7210	0.000	1	115.8995	0.064	2	116.9037	7.958	7	116.9037	7.958	7	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:4:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)2(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CCHH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)2(C[5]N[5]O){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|F<1>,1|O<1>,2|C<3>,3|H<1>,4|C<4>}	115.6950	0.000	1	115.6950	0.000	1	116.9037	7.958	7	116.9037	7.958	7	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:4:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CCHH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]CH)(C[5]N[5]O){5|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CCHH)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	114.7190	1.134	2	114.7190	1.286	2	116.9037	7.958	7	116.9037	7.958	7	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:4:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]CC)(CF3)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]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){2|H<1>,7|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]CC)(CF3)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	122.2130	0.000	1	122.2130	0.000	1	116.9037	7.958	7	116.9037	7.958	7	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:4:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]CH)(CCCH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]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){4|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]CH)(CCCH)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	119.1810	0.000	1	119.1810	0.000	1	116.9037	7.958	7	116.9037	7.958	7	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:4:2:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C-4:O-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]C[5]CO)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]C[5]CO)(C[5]N[5]O){1|N<3>,2|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)(OH){1|O<1>,2|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Br<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	114.4590	0.000	1	114.4590	0.000	1	114.4590	0.000	1	114.4590	0.000	1	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:4:4:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6,6]-4:C[5,5]-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,3x6]HH)(C[5]C[5,6,6]CC)(C[5]N[5]O)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5]C[5,6a]C[5]2)(CH3)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6,6a]H)(C[5,5]C[5]3)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,3x6]HH)(C[5]C[5,6,6]CC)(C[5]N[5]O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5]C[5,6a]C[5]2)(CH3)2{1|C<4>,1|O<1>,2|N<3>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6,6a]H)(C[5,5]C[5]3){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	117.8740	0.000	1	117.8740	0.000	1	117.8740	0.000	1	117.8740	0.000	1	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:4:4:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[3,5,6]-4:C[5,5]-4:C-4:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5,6]CC)(C[5]C[3,5,6]HH)(C[5]N[5]O)	C[5](C[3,5,6]C[3,5,6]C[6]O[3])(C[5,5]C[5,6a]C[5]2)(CH3)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5,6]CC)(C[5]C[3,5,6]HH)(C[5]N[5]O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5](C[3,5,6]C[3,5,6]C[6]O[3])(C[5,5]C[5,6a]C[5]2)(CH3)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	114.4060	0.000	1	114.4060	0.000	1	114.4060	0.000	1	114.7091	1.585	14	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:4:4:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,5]-4:C-4:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CC)(C[5]C[5,5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]O)(CH3)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CC)(C[5]C[5,5]HH)(C[5]N[5]O){1|H<1>,1|N<3>,1|O<2>,2|C<4>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]O)(CH3)2{1|O<1>,2|C<3>,2|C<4>,2|N<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	113.8110	0.000	1	113.8110	0.000	1	114.6915	1.551	2	114.7091	1.585	14	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:4:4:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,5]-4:C-4:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CC)(C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2O[5])(CH3)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CC)(C[5]C[5]HH)(C[5]N[5]O){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2O[5])(CH3)2{1|C<4>,2|C<3>,2|N<3>,2|O<1>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	115.5720	0.000	1	115.5720	0.000	1	114.6915	1.551	2	114.7091	1.585	14	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:4:4:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6]-4:C-4:C-4:	C[5,6,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]CC)(C[5]C[5,6]HH)(C[5]N[5,6]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(CH3)2	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]CC)(C[5]C[5,6]HH)(C[5]N[5,6]O){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(CH3)2{1|O<1>,2|C<3>,2|C<4>,2|N<3>,4|H<1>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,5|C<4>}	114.8850	0.000	1	114.8850	0.000	1	114.8850	0.000	1	114.7091	1.585	14	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:4:4:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6]-4:C-4:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CC)(C[5]C[5,6]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]O)(CH3)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CC)(C[5]C[5,6]HH)(C[5]N[5]O){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]O)(CH3)2{1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|O<1>,3|H<1>,5|C<4>}	114.8430	0.000	1	115.5866	0.261	5	115.5866	0.261	5	114.7091	1.585	14	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:4:4:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6]-4:C-4:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CC)(C[5]C[5,6]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]O)(CH3)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CC)(C[5]C[5,6]HH)(C[5]N[5]O){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]O)(CH3)2{1|O<1>,2|C<3>,2|C<4>,2|N<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|O<1>,4|C<4>,4|H<1>}	115.5740	0.443	2	115.5866	0.261	5	115.5866	0.261	5	114.7091	1.585	14	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:4:4:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6]-4:C-4:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CC)(C[5]C[5,6]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]O)(CH3)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CC)(C[5]C[5,6]HH)(C[5]N[5]O){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]O)(CH3)2{1|O<1>,2|C<3>,2|C<4>,2|N<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|O<1>,4|C<4>,4|H<1>}	115.9710	0.000	2	115.5866	0.261	5	115.5866	0.261	5	114.7091	1.585	14	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:4:4:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C-4:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(CH3)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]HH)(C[5]N[5]O){1|C<2>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(CH3)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	112.3750	0.000	1	112.3750	0.000	1	114.3325	7.664	2	114.7091	1.585	14	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:4:4:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C-4:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]CH)(CH3)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]HH)(C[5]N[5]O){3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]CH)(CH3)2{1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	116.2900	0.000	1	116.2900	0.000	1	114.3325	7.664	2	114.7091	1.585	14	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:4:4:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6,6]-4:C[5,5]-4:C-4:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,3x6]HH)(C[5]C[5,6,6]CC)(C[5]N[5]O)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5]C[5,6a]C[5]2)(CH3)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,3x6]HH)(C[5]C[5,6,6]CC)(C[5]N[5]O){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5]C[5,6a]C[5]2)(CH3)2{1|O<1>,2|C<3>,2|C<4>,2|N<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	113.5517	1.018	3	113.5517	1.036	3	113.5517	1.036	3	114.7091	1.585	14	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:4:	4:2:2:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C[5]-4:	C[5,5]-4:S[5]-2:S[5]-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(C[5]S[5]2H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(S[5]C[5,6a])2(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(C[5]S[5]2H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(S[5]C[5,6a])2(H){1|C<4>,2|N<3>,3|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,2|S<2>,6|H<1>}	109.7310	0.000	1	109.7310	0.000	1	109.7310	0.000	1	109.7310	0.000	1	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:4:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]CH)(C[5]N[5]HH)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[6a]C[5])(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]CH)(C[5]N[5]HH){3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[6a]C[5])(H)2{1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,8|H<1>}	113.5770	0.593	2	113.5770	0.351	2	113.5770	0.351	2	113.5770	0.351	2	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:4:	4:3:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]HH)(CH3)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]C[5]C)(H)2	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]HH)(CH3){1|H<1>,2|C<4>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]C[5]C)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	114.2470	0.187	2	114.2470	0.035	2	114.2470	0.035	2	114.2470	0.035	2	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:4:	4:3:2:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[6a]O[5]H)(CH3)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[6a]O[5]H)(CH3){1|C<4>,1|H<1>,6|C<3>}	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[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	112.4030	0.000	1	112.4030	0.000	1	112.4030	0.000	1	112.4030	0.000	1	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:4:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:S[5]-4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(S[5]N[5]OO)	C[5](C[5,5]C[5,6a]C[5]S[5])(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2S[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(S[5]N[5]OO){1|C<4>,3|H<1>,7|C<3>}	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2S[5])(C[6a]C[6a]H){1|N<3>,2|C<4>,2|O<1>,3|C<3>,4|H<1>}	122.5940	0.000	1	122.5940	0.000	1	122.5940	0.000	1	122.5940	0.000	1	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:4:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(CH3)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(CH3){1|C<4>,2|H<1>,5|C<3>}	C[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[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	116.0020	0.000	1	116.0020	0.000	1	116.0020	0.000	1	114.1292	2.586	5	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:4:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(C[5]C[6a]N[5]H)(CH3)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(C[5]C[6a]N[5]H)(CH3){1|S<4>,2|H<1>,6|C<3>}	C[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[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	113.3520	0.000	1	113.3520	0.000	1	114.3295	1.911	2	114.1292	2.586	5	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:4:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[6a]N[5]H)(CH3)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[6a]N[5]H)(CH3){1|C<4>,1|H<1>,1|S<4>,6|C<3>}	C[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[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	115.3070	0.000	1	115.3070	0.000	1	114.3295	1.911	2	114.1292	2.586	5	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:4:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[5,5]-4:C-4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]N[5]2H)(CCHH)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]N[5]2H)(CCHH){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[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[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,5|H<1>}	111.9290	0.000	1	111.9290	0.000	1	111.9290	0.000	1	114.1292	2.586	5	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:4:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5,5]N[5]O[5]H)(C[5]C[5]HH)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5,5]N[5]O[5]H)(C[5]C[5]HH){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|C<4>,1|N<3>,1|O<2>,1|S<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	114.0560	0.000	1	114.0560	0.000	1	114.0560	0.000	1	114.1292	2.586	5	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:4:	4:3:3:3:	4:3:3:	C[5,6a]-3:C[5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[5]-3:N-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]N)(C[5,5]N[5]O[5]H)(C[5]C[5]HH)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NCH)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]N)(C[5,5]N[5]O[5]H)(C[5]C[5]HH){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NCH){1|N<3>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,6|H<1>}	110.4860	0.000	1	110.4860	0.000	1	110.4860	0.000	1	110.4860	0.000	1	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:4:	4:3:3:4:	4:3:3:	C[5,6a]-3:C[5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5,5]N[5]2H)(C[5]C[5]HH)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5,5]N[5]2H)(C[5]C[5]HH){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH){1|Br<1>,1|N<2>,1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<2>,2|C<4>,4|C<3>,5|H<1>}	112.5310	0.000	1	112.5310	0.000	1	112.5310	0.000	1	112.5310	0.000	1	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:4:	4:3:4:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:S[5]-4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(S[5]N[5]OO)	C[5](C[5,5]C[5,6a]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2S[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(S[5]N[5]OO){1|C<4>,3|H<1>,7|C<3>}	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[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2S[5])(C[6a]C[6a]H){1|N<3>,2|C<4>,2|O<1>,3|C<3>,4|H<1>}	113.5730	0.000	1	113.5730	0.000	1	113.5730	0.000	1	113.5730	0.000	1	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:4:	4:3:4:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(CH3)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(CH3){1|C<4>,3|H<1>,6|C<3>}	C[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[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,2|C<3>,3|C<4>,3|H<1>}	113.9875	2.198	2	113.9875	4.833	2	113.9875	4.833	2	114.1058	3.690	11	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:4:	4:3:4:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[5,5]-4:C-4:	C[5,5]-4:C[5a]-3:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(C[5,5]N[5]2H)(CH3)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5a]C[5a,6a]C[5a])(C[5]N[5]HH)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(C[5,5]N[5]2H)(CH3){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5a]C[5a,6a]C[5a])(C[5]N[5]HH)(H){1|S<4>,2|H<1>,2|N<3>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	112.9055	2.941	2	112.9055	8.649	2	112.9055	8.649	2	114.1058	3.690	11	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:4:	4:3:4:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[5,5]-4:C-4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(CH3)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(CH3){1|O<1>,3|H<1>,5|C<3>}	C[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[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	114.9680	0.000	1	114.9680	0.000	1	114.4826	3.253	7	114.1058	3.690	11	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:4:	4:3:4:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[5,5]-4:C-4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]N[5]2H)(CH3)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]N[5]2H)(CH3){1|S<4>,2|C<4>,2|H<1>,4|C<3>}	C[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[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	115.6050	0.000	1	115.6050	0.000	1	114.4826	3.253	7	114.1058	3.690	11	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:4:	4:3:4:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[5,5]-4:C-4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]N[5]2H)(CH3)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]N[5]2H)(CH3){1|Br<1>,1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[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[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	115.6660	0.000	1	115.6660	0.000	1	114.4826	3.253	7	114.1058	3.690	11	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:4:	4:3:4:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[5,5]-4:C-4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]N[5]2H)(CH3)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]N[5]2H)(CH3){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[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[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	113.7590	0.000	1	113.7848	4.891	4	114.4826	3.253	7	114.1058	3.690	11	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:4:	4:3:4:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[5,5]-4:C-4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]N[5]2H)(CH3)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]N[5]2H)(CH3){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[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[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	112.3385	1.405	2	113.7848	4.891	4	114.4826	3.253	7	114.1058	3.690	11	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:4:	4:3:4:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[5,5]-4:C-4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]N[5]2H)(CH3)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]N[5]2H)(CH3){1|S<4>,4|C<3>,4|H<1>}	C[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[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	116.7030	0.000	1	113.7848	4.891	4	114.4826	3.253	7	114.1058	3.690	11	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:4:	4:3:4:4:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C[5]-3:C-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]CC)(CH3)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]C[5]O)(CH3)2	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]CC)(CH3){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]C[5]O)(CH3)2{1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|H<1>,4|C<4>}	114.7360	0.000	1	114.7360	0.000	1	114.7360	0.000	1	115.0855	0.244	2	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:4:	4:3:4:4:	4:3:3:	C[5,6a]-3:C[5]-4:C[5,5]-4:C-4:	C[5,5]-4:C[6a]-3:C[5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(C[5,5]N[5]2H)(CH3)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]N[5]HH)(CH3)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(C[5,5]N[5]2H)(CH3){2|C<4>,3|H<1>,4|C<3>}	C[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[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	115.4350	0.000	1	115.4350	0.000	1	115.4350	0.000	1	115.0855	0.244	2	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]CH)(C[5]N[5]HH)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]CH)(C[5]N[5]HH){3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]HH)(H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,8|H<1>}	116.1380	0.440	2	116.1380	0.193	2	116.1380	0.193	2	116.1380	0.193	2	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[3,5]-4:C[5]-4:C[5]-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(C[5]C[5]HO)	C[5](C[5,5]C[5,6a]C[3,5]C[5])(C[5]C[3,5]HH)(H)2	C[5,6a](C[5,5]C[3,5]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(C[5]C[5]HO){1|C<4>,2|C<3>,7|H<1>}	C[5](C[5,5]C[5,6a]C[3,5]C[5])(C[5]C[3,5]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,5]C[3,5]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|O<2>,3|C<4>,7|H<1>}	118.4440	0.000	1	118.4440	0.000	1	118.4440	0.000	1	112.5839	4.181	17	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CC3)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]N[5]CH)(H)2	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CC3){2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]N[5]CH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	111.1420	0.000	1	111.2005	0.007	2	112.0949	1.523	11	112.5839	4.181	17	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CC3)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]N[5]CH)(H)2	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CC3){3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]N[5]CH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	111.2590	0.000	1	111.2005	0.007	2	112.0949	1.523	11	112.5839	4.181	17	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CC3)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]N[5]HH)(H)2	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CC3){1|S<4>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	112.4180	0.000	1	112.4180	0.000	1	112.0949	1.523	11	112.5839	4.181	17	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CCHH)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]N[5]HH)(H)2	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CCHH){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	111.4040	0.000	1	112.5585	2.666	2	112.0949	1.523	11	112.5839	4.181	17	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CCHH)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]N[5]HH)(H)2	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CCHH){1|S<4>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	113.7130	0.000	1	112.5585	2.666	2	112.0949	1.523	11	112.5839	4.181	17	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]N[5]HH)(H)2	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CC[6a]HH){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|I<1>,1|N<3>,5|H<1>}	109.9550	0.000	1	109.9550	0.000	1	112.0949	1.523	11	112.5839	4.181	17	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CH3)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]N[5]CH)(H)2	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CH3){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]N[5]CH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	112.4550	0.000	1	112.4550	0.000	1	112.0949	1.523	11	112.5839	4.181	17	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CH3)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]N[5]HH)(H)2	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CH3){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]N[5]HH)(H)2{1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	111.7540	0.000	1	112.9760	1.641	3	112.0949	1.523	11	112.5839	4.181	17	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CH3)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]N[5]HH)(H)2	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<4>,1|O<2>,2|C<4>,4|H<1>}	113.5870	1.021	2	112.9760	1.641	3	112.0949	1.523	11	112.5839	4.181	17	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5]C[5]HH)(CC[6a]CH)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]O[5]HH)(H)2	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5]C[5]HH)(CC[6a]CH){3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]O[5]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	111.7700	0.000	1	111.7700	0.000	1	112.0949	1.523	11	112.5839	4.181	17	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C[5]-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(C[5]S[5]2H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]HH)(H)2	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(C[5]S[5]2H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|N<3>,1|S<4>,2|C<3>,2|H<1>,2|S<2>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,2|S<2>,6|H<1>}	114.4060	0.000	1	114.4060	0.000	1	114.4060	0.000	1	112.5839	4.181	17	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5]-4:C[5]-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(C[5]N[5]HH)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(H)2	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(C[5]N[5]HH){1|S<4>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|S<4>,2|C<4>,7|H<1>}	113.6150	0.000	1	113.6150	0.000	1	113.6150	0.000	1	112.5839	4.181	17	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5,5]N[5]2H)(C[5]C[5]HH)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]HH)(H)2	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5,5]N[5]2H)(C[5]C[5]HH){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<2>,2|C<4>,4|C<3>,5|H<1>}	109.6040	0.000	1	109.6040	0.000	1	111.4723	3.303	3	112.5839	4.181	17	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5,5]N[5]O[5]H)(C[5]C[5]HH)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]O[5]HH)(H)2	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5,5]N[5]O[5]H)(C[5]C[5]HH){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]O[5]HH)(H)2{1|N<3>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	111.5790	0.000	1	111.5790	0.000	1	111.4723	3.303	3	112.5839	4.181	17	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]N)(C[5,5]N[5]O[5]H)(C[5]C[5]HH)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]O[5]HH)(H)2	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]N)(C[5,5]N[5]O[5]H)(C[5]C[5]HH){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]O[5]HH)(H)2{1|H<1>,2|N<3>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,6|H<1>}	113.2340	0.000	1	113.2340	0.000	1	111.4723	3.303	3	112.5839	4.181	17	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:4:	4:4:2:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]HO)(CH3)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]C[5]HO)(OC)(H)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,5]C[5,5]C[5]C)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]HO)(CH3){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]C[5]HO)(OC)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,5]C[5,5]C[5]C)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	111.4770	0.000	1	111.4770	0.000	1	111.4770	0.000	1	111.4770	0.000	1	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:4:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C[5,6]-4:C[5a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5]O)(C[5]C[5,6]C[5a]H)(CH3)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5]O)(C[5]C[5,6]C[5a]H)(CH3){1|C<4>,1|N<3>,1|S<4>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H){1|H<1>,1|N<3>,1|O<2>,1|S<4>,4|C<4>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,1|S<4>,2|C<3>,2|C<4>,3|H<1>}	112.0090	0.000	1	112.0090	0.000	1	112.0090	0.000	1	112.0090	0.000	1	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	4:3:3:4:	4:3:3:3:	4:3:3:	C[5,6]-4:C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5,5]-4:C[5]-3:C[6a]-3:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-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)	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[5,6a](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	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[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[5,6a](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,7|C<3>}	115.8060	8.243	2	115.8060	67.954	2	115.8060	67.954	2	115.8060	67.954	2	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	4:3:3:4:	4:3:4:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-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)	C[5](C[5,5]C[5,6a]2C[5,5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,6a](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]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){1|C<4>,1|N<3>,1|O<1>,4|H<1>,8|C<3>}	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[5,6a](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	115.9355	6.961	2	115.9355	48.462	2	115.9355	48.462	2	115.9355	48.462	2	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	4:3:3:4:	4:4:1:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5,5]-3:C[5]-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2)(C[5]C[5]HH)	C[5](C[5,5]C[5,6a]C[5,5]2)(C[5]N[5]CH)(H)2	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2)(C[5]C[5]HH){1|C<4>,1|N<2>,1|N<3>,4|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]2)(C[5]N[5]CH)(H)2{1|C<4>,1|N<2>,5|C<3>}	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	121.8500	0.778	2	121.8500	0.605	2	121.8500	0.605	2	121.8500	0.605	2	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	4:3:3:4:	4:4:2:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5a]-3:C[5]-4:	C[5,3x6]-4:C[5,5]-4:O-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5]N[5,6,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5,3x6]HO)	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5,5]C[5,6a]C[5,5]C[5a])(OC)(H)	C[5,6a](C[5,5]C[5,5]C[5a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,5]N[5,6,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5,3x6]HO){1|N<3>,1|S<2>,3|H<1>,6|C<3>}	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5,5]C[5,6a]C[5,5]C[5a])(OC)(H){1|H<1>,1|O<1>,1|S<2>,2|N<3>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,5|H<1>}	111.6450	0.371	2	111.6450	0.137	2	111.6450	0.137	2	111.6450	0.137	2	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	4:3:3:4:	4:4:3:1:	4:3:2:	C[5,5]-4:C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5,5]-4:C[5,5]-4:C-3:H-1:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5,5]CH)	C[5](C[5,5]C[5,6a]2C[5,5])(C[5,5]N[5,5]C[5]H)(COO)(H)	C[5,6a](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5,5]CH){1|N<2>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]2C[5,5])(C[5,5]N[5,5]C[5]H)(COO)(H){1|N<2>,2|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,1|N<3>,7|C<3>}	115.6570	0.000	1	115.6570	0.000	1	115.6570	0.000	1	114.6057	4.978	3	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	4:3:3:4:	4:4:3:1:	4:3:2:	C[5,5]-4:C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5]CH)	C[5](C[5,5]C[5,6a]2C[5,5])(C[5]N[5]HH)(COO)(H)	C[5,6a](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5]CH){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]2C[5,5])(C[5]N[5]HH)(COO)(H){1|C<4>,1|N<2>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,1|N<3>,7|C<3>}	112.0430	0.000	1	112.0430	0.000	1	112.0430	0.000	1	114.6057	4.978	3	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	4:3:3:4:	4:4:3:1:	4:3:2:	C[5,5]-4:C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:N[5,6a]-3:N[6a]-2:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(C[5]C[5]CH)	C[5](C[5,5]C[5,6a]2C[5,5])(C[5]N[5]HH)(COO)(H)	C[5,6a](C[5,5]C[5,6a]C[5,5]C[5])(N[5,6a]C[5,6a]C[6a])(N[6a]C[6a,6a])	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(C[5]C[5]CH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]2C[5,5])(C[5]N[5]HH)(COO)(H){1|C<4>,1|N<2>,1|N<3>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C[5])(N[5,6a]C[5,6a]C[6a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,7|C<3>}	116.1170	0.000	1	116.1170	0.000	1	116.1170	0.000	1	114.6057	4.978	3	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	4:3:3:4:	4:4:3:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5,5]-4:C[5,5]-4:C-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5,5]CH)	C[5](C[5,5]C[5,6a]2C[5,5])(C[5,5]N[5,5]C[5]H)(COO)(H)	C[5,6a](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5,5]CH){1|N<2>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]2C[5,5])(C[5,5]N[5,5]C[5]H)(COO)(H){1|N<2>,2|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|N<2>,3|H<1>,4|C<3>}	111.2490	0.000	1	111.2490	0.000	1	111.2490	0.000	1	115.3323	20.599	3	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	4:3:3:4:	4:4:3:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5]CH)	C[5](C[5,5]C[5,6a]2C[5,5])(C[5]N[5]HH)(COO)(H)	C[5,6a](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5]CH){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]2C[5,5])(C[5]N[5]HH)(COO)(H){1|C<4>,1|N<2>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|N<2>,3|H<1>,4|C<3>}	120.2190	0.000	1	120.2190	0.000	1	117.3740	16.188	2	115.3323	20.599	3	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	4:3:3:4:	4:4:3:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(C[5]C[5]CH)	C[5](C[5,5]C[5,6a]2C[5,5])(C[5]N[5]HH)(COO)(H)	C[5,6a](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(C[5]C[5]CH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]2C[5,5])(C[5]N[5]HH)(COO)(H){1|C<4>,1|N<2>,1|N<3>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<2>,1|N<3>,2|H<1>,5|C<3>}	114.5290	0.000	1	114.5290	0.000	1	117.3740	16.188	2	115.3323	20.599	3	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5,5,6,6]-4:C[5,6a]-3:C[5]-4:Cl-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(Cl)	C[5](C[5,5]C[5,5,6,6]C[5,6a]Cl)(C[5]N[5,6]O)(H)2	C[5,6a](C[5,5]C[5,5,6,6]C[5]Cl)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(Cl){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	C[5](C[5,5]C[5,5,6,6]C[5,6a]Cl)(C[5]N[5,6]O)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5,6,6]C[5]Cl)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	112.7430	0.000	1	112.7430	0.000	1	112.7430	0.000	1	112.3610	2.102	5	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5,5,6,6]-4:C[5,6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5,6,6]C[5,6a]H)(C[5]N[5,6]O)(H)2	C[5,6a](C[5,5]C[5,5,6,6]C[5]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	C[5](C[5,5]C[5,5,6,6]C[5,6a]H)(C[5]N[5,6]O)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5,6,6]C[5]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	111.0900	0.000	1	111.4473	0.096	3	111.4473	0.096	3	112.3610	2.102	5	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5,5,6,6]-4:C[5,6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5,6,6]C[5,6a]H)(C[5]N[5,6]O)(H)2	C[5,6a](C[5,5]C[5,5,6,6]C[5]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	C[5](C[5,5]C[5,5,6,6]C[5,6a]H)(C[5]N[5,6]O)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5,6,6]C[5]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	111.6260	0.000	2	111.4473	0.096	3	111.4473	0.096	3	112.3610	2.102	5	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]O)(H)2	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]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){2|H<1>,2|O<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]O)(H)2{1|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	114.7200	0.000	1	114.7200	0.000	1	114.7200	0.000	1	112.3610	2.102	5	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	4:3:4:1:	4:3:2:1:	4:3:3:	C[5,5,6,6]-4:C[5,6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-3:O-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)	C[5](C[5,5]C[5,5,6,6]C[5,6a]H)(C[5]N[5,6]O)(OH)(H)	C[5,6a](C[5,5]C[5,5,6,6]C[5]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	C[5](C[5,5]C[5,5,6,6]C[5,6a]H)(C[5]N[5,6]O)(OH)(H){1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5,6,6]C[5]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	110.8982	2.275	5	110.8982	5.174	5	110.8982	5.174	5	110.8982	5.174	5	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	4:3:4:1:	4:3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-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)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]O)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]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){1|O<1>,2|C<4>,2|H<1>,7|C<3>}	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[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	113.7305	0.071	2	113.7305	0.005	2	113.7305	0.005	2	113.7305	0.005	2	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	4:3:4:1:	4:4:1:1:	3:4:3:	C[3x5]-4:C[5,6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[3x5]C[5,5]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,6a]C[3x5]H)(C[5]C[5,5]HH)(H)2	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]H)	C[5,5](C[3x5]C[5,5]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[3x5]H)(C[5]C[5,5]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	114.9065	0.513	2	114.9065	0.263	2	114.9065	0.263	2	114.9065	0.263	2	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	4:3:4:1:	4:4:1:1:	4:3:3:	C[5,5,3x6]-4:C[5,6a]-3:C[5]-4:O-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5,3x6]N[5,6,6]2C[6,6])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O)	C[5](C[5,5]C[5,5,3x6]C[5,6a]O)(C[5]N[5,6,6]HH)(H)2	C[5,6a](C[5,5]C[5,5,3x6]C[5]O)(C[5,6a]N[5,6,6]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,5,3x6]N[5,6,6]2C[6,6])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){2|C<4>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5,5,3x6]C[5,6a]O)(C[5]N[5,6,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,5]C[5,5,3x6]C[5]O)(C[5,6a]N[5,6,6]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	115.1310	0.000	1	115.1310	0.000	1	115.1310	0.000	1	115.1310	0.000	1	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	4:3:4:2:	4:3:1:1:	4:3:3:	C[5,5,6,6]-4:C[5,6a]-3:C[5]-4:O-2:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)	C[5](C[5,5]C[5,5,6,6]C[5,6a]O)(C[5]N[5,6]O)(H)2	C[5,6a](C[5,5]C[5,5,6,6]C[5]O)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	C[5](C[5,5]C[5,5,6,6]C[5,6a]O)(C[5]N[5,6]O)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5,6,6]C[5]O)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	110.7206	0.707	7	110.7206	0.500	7	110.7206	0.500	7	110.7206	0.500	7	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	4:3:4:2:	4:4:1:1:	3:4:3:	C[3x5]-4:C[5,6a]-3:C[5]-4:C-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[3x5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CN)	C[5](C[5,5]C[5,6a]C[3x5]C)(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5,5]C[3x5]C[5]C)(C[6a]C[6a]H)	C[5,5](C[3x5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CN){5|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]C[3x5]C)(C[5]C[5]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5,5]C[3x5]C[5]C)(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	113.5990	0.000	1	113.5990	0.000	1	113.5990	0.000	1	113.5990	0.000	1	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	4:3:4:2:	4:4:1:1:	4:3:3:	C[5,5,6,6]-4:C[5,6a]-3:C[5]-4:O-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)	C[5](C[5,5]C[5,5,6,6]C[5,6a]O)(C[5]N[5,6]HH)(H)2	C[5,6a](C[5,5]C[5,5,6,6]C[5]O)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH){2|C<4>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,5,6,6]C[5,6a]O)(C[5]N[5,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5,6,6]C[5]O)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	111.5580	0.000	1	110.2455	3.445	2	110.2455	3.445	2	111.5868	2.651	5	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	4:3:4:2:	4:4:1:1:	4:3:3:	C[5,5,6,6]-4:C[5,6a]-3:C[5]-4:O-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)	C[5](C[5,5]C[5,5,6,6]C[5,6a]O)(C[5]N[5,6]HH)(H)2	C[5,6a](C[5,5]C[5,5,6,6]C[5]O)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH){3|C<3>,3|H<1>,4|C<4>}	C[5](C[5,5]C[5,5,6,6]C[5,6a]O)(C[5]N[5,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5,6,6]C[5]O)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	108.9330	0.000	1	110.2455	3.445	2	110.2455	3.445	2	111.5868	2.651	5	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	4:3:4:2:	4:4:1:1:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[5]-4:C-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5,6]C[5,6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CN)	C[5](C[5,5]C[5,5,6]C[5,6a]C)(C[5]C[5,6]HH)(H)2	C[5,6a](C[5,5]C[5,5,6]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,5,6]C[5,6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CN){2|C<4>,4|C<3>,5|H<1>}	C[5](C[5,5]C[5,5,6]C[5,6a]C)(C[5]C[5,6]HH)(H)2{1|N<3>,2|C<4>,3|C<3>}	C[5,6a](C[5,5]C[5,5,6]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	113.0920	0.000	1	113.0920	0.000	1	113.0920	0.000	1	111.5868	2.651	5	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	4:3:4:2:	4:4:1:1:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[5]-4:O-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5,6]C[6,6]N[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)	C[5](C[5,5]C[5,5,6]C[5,6a]O)(C[5]N[5,6]HH)(H)2	C[5,6a](C[5,5]C[5,5,6]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,5,6]C[6,6]N[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH){2|C<4>,3|C<3>,5|H<1>}	C[5](C[5,5]C[5,5,6]C[5,6a]O)(C[5]N[5,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5,6]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	112.7240	0.000	1	112.7240	0.000	1	112.1755	0.602	2	111.5868	2.651	5	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	4:3:4:2:	4:4:1:1:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[5]-4:O-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5,6]N[5,6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)	C[5](C[5,5]C[5,5,6]C[5,6a]O)(C[5]N[5]CH)(H)2	C[5,6a](C[5,5]C[5,5,6]C[5]O)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,5,6]N[5,6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH){1|C<4>,3|H<1>,6|C<3>}	C[5](C[5,5]C[5,5,6]C[5,6a]O)(C[5]N[5]CH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,5]C[5,5,6]C[5]O)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	111.6270	0.000	1	111.6270	0.000	1	112.1755	0.602	2	111.5868	2.651	5	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	4:3:4:2:	4:4:2:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-4:O-2:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(OH)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[5]CH)(OH)(H)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	C[5,5](C[5,5]C[5a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(OH){1|O<2>,1|S<2>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[5]CH)(OH)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	117.1410	1.875	2	118.4593	6.972	3	117.8540	6.114	4	117.8540	6.114	4	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	4:3:4:2:	4:4:2:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-4:O-2:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(OH)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[5]CH)(OH)(H)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	C[5,5](C[5,5]C[5a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(OH){2|H<1>,2|O<2>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[5]CH)(OH)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	121.0960	0.000	1	118.4593	6.972	3	117.8540	6.114	4	117.8540	6.114	4	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	4:3:4:2:	4:4:2:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-4:O-2:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(OH)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[5]CH)(OH)(H)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(OH){1|O<2>,2|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[5]CH)(OH)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	116.0380	0.000	1	116.0380	0.000	1	117.8540	6.114	4	117.8540	6.114	4	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	4:3:4:2:	4:4:3:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-4:O-2:	C[5,5]-4:C[5]-4:N-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(OH)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[5]HH)(NCH)(H)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(OH){1|O<2>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[5]HH)(NCH)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	114.2210	0.000	1	114.2210	0.000	1	114.2210	0.000	1	114.2210	0.000	1	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	4:3:4:3:	4:2:1:1:	4:3:3:	C[5,6]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5](C[5,5]C[5,6a]C[5,6]C[5])(O[5]C[5,6])(H)2	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]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){2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,6]C[5])(O[5]C[5,6])(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	112.2460	0.000	1	112.2460	0.000	1	112.2460	0.000	1	112.2460	0.000	1	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	4:3:4:3:	4:3:1:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-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[5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]O)(H)2	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]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[5]HH)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,2|O<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]O)(H)2{1|N<3>,1|O<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	110.4670	0.000	1	110.4670	0.000	1	111.4985	2.128	2	111.9467	1.721	4	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	4:3:4:3:	4:3:1:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-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[5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]O[5]O)(H)2	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]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[5]HH)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,2|O<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]O[5]O)(H)2{1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	112.5300	0.000	1	112.5300	0.000	1	111.4985	2.128	2	111.9467	1.721	4	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	4:3:4:3:	4:3:1:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,5]S)(H)2	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(C[5]N[5]O){1|C<4>,1|N<3>,1|S<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,5]S)(H)2{1|C<4>,1|H<1>,1|O<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	113.4510	0.000	1	113.4510	0.000	1	113.4510	0.000	1	111.9467	1.721	4	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	4:3:4:3:	4:3:1:1:	4:3:3:	C[5,6]-4:C[5,6a]-3:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-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]HH)(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,6]N[5])(C[5]N[5,6]O)(H)2	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,6]N[5])(C[5]N[5,6]O)(H)2{1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	111.3390	0.000	1	111.3390	0.000	1	111.3390	0.000	1	111.9467	1.721	4	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	4:3:4:3:	4:3:4:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-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)	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[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]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){1|C<4>,1|N<3>,1|O<1>,4|H<1>,6|C<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){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	118.9060	0.000	1	119.3155	0.335	2	119.3155	0.335	2	119.3155	0.335	2	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	4:3:4:3:	4:3:4:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-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)	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[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]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){1|C<4>,1|O<1>,4|H<1>,7|C<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){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	119.7250	0.000	1	119.3155	0.335	2	119.3155	0.335	2	119.3155	0.335	2	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	4:3:4:3:	4:4:1:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-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[5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]N[5]H)(H)2	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]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[5]HH)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,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)(H)2{1|N<3>,1|O<1>,7|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	119.4890	0.000	1	119.4890	0.000	1	118.1257	3.192	3	117.5150	3.620	4	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	4:3:4:3:	4:4:1:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-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[5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]CO)(H)2	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]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[5]HH)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]CO)(H)2{1|N<3>,1|O<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	118.7850	0.000	1	118.7850	0.000	1	118.1257	3.192	3	117.5150	3.620	4	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	4:3:4:3:	4:4:1:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-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[5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]O[5]CH)(H)2	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]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[5]HH)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]O[5]CH)(H)2{1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	116.1030	0.000	1	116.1030	0.000	1	118.1257	3.192	3	117.5150	3.620	4	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	4:3:4:3:	4:4:1:1:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6,6]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6,6]N[5,3x6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6,6]C[5,6a]C[5])(C[5,6,6]N[5,3x6]C[6,6]H)(H)2	C[5,6a](C[5,5]C[5,6,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6,6]N[5,3x6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]HH)(C[5]N[5]O){3|C<3>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5,6,6]C[5,6a]C[5])(C[5,6,6]N[5,3x6]C[6,6]H)(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,6,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,5|H<1>}	115.6830	0.000	1	115.6830	0.000	1	115.6830	0.000	1	117.5150	3.620	4	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	4:3:4:3:	4:4:2:2:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C-2:C-2:	C[5,5]-4:C[5,6a]-3:C[6a]-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[5]CC)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]HH)(CN)2	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]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[5]CC)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]HH)(CN)2{1|C<4>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<2>,3|C<3>,3|H<1>}	116.8150	0.000	1	116.8150	0.000	1	116.8150	0.000	1	116.8150	0.000	1	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	4:3:4:3:	4:4:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,5]-4:C-3:H-1:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,5]CH)(C[5]C[5,6a]O)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]N[5,5]C[5]H)(COO)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]2)(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,5]CH)(C[5]C[5,6a]O){1|O<1>,2|C<4>,2|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]N[5,5]C[5]H)(COO)(H){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,6|C<3>}	114.8910	0.000	1	114.8910	0.000	1	114.8910	0.000	1	114.8910	0.000	1	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	4:3:4:3:	4:4:3:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,5]-4:C-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]N[5,5]C[5]H)(CCO)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O){1|N<3>,1|O<1>,2|H<1>,3|C<4>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]N[5,5]C[5]H)(CCO)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	116.1050	0.000	1	116.1050	0.000	1	115.2942	7.312	5	117.4156	9.286	37	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	4:3:4:3:	4:4:3:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,5]-4:C-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]N[5,5]C[5]H)(CC[6a]O)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]N[5,5]C[5]H)(CC[6a]O)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	113.1290	0.000	1	113.5780	0.469	3	115.2942	7.312	5	117.4156	9.286	37	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	4:3:4:3:	4:4:3:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,5]-4:C-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]N[5,5]C[5]H)(CC[6a]O)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]N[5,5]C[5]H)(CC[6a]O)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	113.8025	0.797	2	113.5780	0.469	3	115.2942	7.312	5	117.4156	9.286	37	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	4:3:4:3:	4:4:3:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,5]-4:C-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]N[5,5]C[5]H)(COO)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O){1|O<1>,2|C<4>,2|H<1>,2|N<3>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]N[5,5]C[5]H)(COO)(H){1|O<1>,2|H<1>,2|N<3>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	119.6320	0.000	1	119.6320	0.000	1	115.2942	7.312	5	117.4156	9.286	37	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	4:3:4:3:	4:4:3:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-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)	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[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]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){1|C<4>,1|N<3>,1|O<2>,2|H<1>,7|C<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){1|O<1>,1|O<2>,2|N<3>,3|H<1>,7|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	115.3130	0.000	1	115.3130	0.000	1	116.6650	3.656	2	117.4156	9.286	37	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	4:3:4:3:	4:4:3:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-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)	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[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]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){1|N<3>,1|O<1>,3|H<1>,9|C<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){2|N<3>,2|O<1>,3|H<1>,7|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	118.0170	0.000	1	118.0170	0.000	1	116.6650	3.656	2	117.4156	9.286	37	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	4:3:4:3:	4:4:3:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6]-4:C-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6]N[5,6]C[6]H)(COO)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(C[5]N[5]O){1|N<3>,1|O<1>,2|H<1>,3|C<4>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6]N[5,6]C[6]H)(COO)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	120.0060	0.000	1	120.0060	0.000	1	120.0060	0.000	1	117.4156	9.286	37	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	4:3:4:3:	4:4:3:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-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[5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]N[5]H)(CCO)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]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[5]CH)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|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[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	115.7640	0.000	1	115.7640	0.000	1	116.2833	7.439	15	117.4156	9.286	37	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	4:3:4:3:	4:4:3:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-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[5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]CH)(COO)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]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[5]CH)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]CH)(COO)(H){1|N<3>,1|O<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	113.9970	0.000	1	115.0745	2.322	2	116.2833	7.439	15	117.4156	9.286	37	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	4:3:4:3:	4:4:3:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-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[5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]CH)(COO)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]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[5]CH)(C[5]N[5]O){1|N<3>,1|O<1>,2|H<1>,7|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]CH)(COO)(H){1|N<3>,1|O<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	116.1520	0.000	1	115.0745	2.322	2	116.2833	7.439	15	117.4156	9.286	37	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	4:3:4:3:	4:4:3:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-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[5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]HH)(CC[6a]O)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]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[5]CH)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]HH)(CC[6a]O)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	115.9317	3.123	6	116.3050	9.105	7	116.2833	7.439	15	117.4156	9.286	37	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	4:3:4:3:	4:4:3:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-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[5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]HH)(CC[6a]O)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]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[5]CH)(C[5]N[5]O){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]HH)(CC[6a]O)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	118.5450	0.000	1	116.3050	9.105	7	116.2833	7.439	15	117.4156	9.286	37	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	4:3:4:3:	4:4:3:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-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[5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]HH)(COO)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]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[5]CH)(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]HH)(COO)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	121.1810	0.000	1	116.8404	10.609	5	116.2833	7.439	15	117.4156	9.286	37	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	4:3:4:3:	4:4:3:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-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[5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]HH)(COO)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]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[5]CH)(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]HH)(COO)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	115.7255	3.215	2	116.8404	10.609	5	116.2833	7.439	15	117.4156	9.286	37	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	4:3:4:3:	4:4:3:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-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[5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]HH)(COO)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]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[5]CH)(C[5]N[5]O){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]HH)(COO)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	115.7850	2.923	2	116.8404	10.609	5	116.2833	7.439	15	117.4156	9.286	37	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	4:3:4:3:	4:4:3:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-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)	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[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]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){1|C<4>,1|N<3>,1|O<1>,2|H<1>,7|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[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	119.0380	0.618	2	120.7748	5.009	9	120.7748	5.009	9	117.4156	9.286	37	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	4:3:4:3:	4:4:3:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-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)	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[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]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){1|N<3>,1|O<1>,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[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	121.2710	2.307	7	120.7748	5.009	9	120.7748	5.009	9	117.4156	9.286	37	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	4:3:4:3:	4:4:3:1:	4:3:3:	C[5,6]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,5]-4:C-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-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)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5,6a]N[5,6]C[5])(COO)(H)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]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){1|C<4>,1|H<1>,7|C<3>}	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5,6a]N[5,6]C[5])(COO)(H){1|C<4>,1|H<1>,2|N<3>,2|O<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	118.0160	0.000	1	118.0160	0.000	1	118.0160	0.000	1	117.4156	9.286	37	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	4:3:4:3:	4:4:3:1:	4:3:3:	C[5,6]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-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)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(CC[6a]O)(H)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]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){3|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]CH)(CC[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|F<1>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	116.8280	0.000	2	116.8280	0.000	2	116.8280	0.000	2	117.4156	9.286	37	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	4:3:4:3:	4:4:3:1:	4:3:3:	C[5,6]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-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)	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[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]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){1|C<2>,1|C<4>,3|H<1>,6|C<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){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	115.9460	0.000	1	115.8375	0.024	2	115.8375	0.024	2	117.4156	9.286	37	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	4:3:4:3:	4:4:3:1:	4:3:3:	C[5,6]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-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)	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[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]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){1|C<4>,3|H<1>,7|C<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){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	115.7290	0.000	1	115.8375	0.024	2	115.8375	0.024	2	117.4156	9.286	37	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	4:3:4:3:	4:4:4:4:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-4:N-3:	C[5,5]-4:C[5]-4:C-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5]C[6a]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(NHH)	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]O[5]HH)(CCHH)(CH3)	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,5]C[6a]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(NHH){1|S<4>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]O[5]HH)(CCHH)(CH3){1|N<3>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<2>,1|S<4>,2|C<3>,3|C<4>}	113.3280	0.000	1	113.3280	0.000	1	113.3280	0.000	1	113.3280	0.000	1	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	4:3:4:4:	4:3:3:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-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)	C[5](C[5,5]C[5,6a]C[5,5]2)(C[6a]C[6a]2)(C[5]C[5]O)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]2C[5])(C[6a]C[6a]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){11|C<3>,1|C<4>,1|O<1>,4|H<1>}	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[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]2C[5])(C[6a]C[6a]H){3|C<4>,3|H<1>,6|C<3>}	114.2730	0.030	2	114.2730	0.001	2	114.2730	0.001	2	114.2730	0.001	2	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	4:3:4:4:	4:4:1:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)	C[5](C[5,5]C[5,6a]C[5,5]2)(C[5]N[5]CH)(H)2	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH){1|C<4>,1|S<4>,2|N<3>,5|C<3>,6|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]2)(C[5]N[5]CH)(H)2{1|H<1>,1|N<3>,1|S<4>,2|C<4>,3|C<3>}	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,6|H<1>}	111.1790	0.464	2	111.1790	0.215	2	111.2573	0.423	14	111.3365	0.487	15	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	4:3:4:4:	4:4:1:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)	C[5](C[5,5]C[5,6a]C[5,5]2)(C[5]N[5]HH)(H)2	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH){1|C<4>,2|N<3>,5|C<3>,7|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]2)(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,6|H<1>}	112.0950	0.030	2	111.2703	0.479	12	111.2573	0.423	14	111.3365	0.487	15	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	4:3:4:4:	4:4:1:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)	C[5](C[5,5]C[5,6a]C[5,5]2)(C[5]N[5]HH)(H)2	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH){1|C<4>,2|N<3>,6|C<3>,6|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]2)(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|C<4>,5|H<1>}	111.4970	0.000	1	111.2703	0.479	12	111.2573	0.423	14	111.3365	0.487	15	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	4:3:4:4:	4:4:1:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)	C[5](C[5,5]C[5,6a]C[5,5]2)(C[5]N[5]HH)(H)2	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH){1|S<4>,2|C<4>,2|N<3>,4|C<3>,6|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]2)(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,1|S<4>,2|C<4>,3|C<3>}	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,4|C<4>,5|H<1>}	111.2435	0.928	4	111.2703	0.479	12	111.2573	0.423	14	111.3365	0.487	15	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	4:3:4:4:	4:4:1:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)	C[5](C[5,5]C[5,6a]C[5,5]2)(C[5]N[5]HH)(H)2	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH){2|N<3>,3|C<4>,4|C<3>,6|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]2)(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,4|C<4>,5|H<1>}	110.9166	0.400	5	111.2703	0.479	12	111.2573	0.423	14	111.3365	0.487	15	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	4:3:4:4:	4:4:1:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-4:C-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5]C[6a]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]O[5]CO)(H)2	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,5]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[5](C[5,5]C[5,6a]C[5,5]C)(C[5]O[5]CO)(H)2{1|N<3>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	112.4460	0.000	1	112.4460	0.000	1	112.4460	0.000	1	111.3365	0.487	15	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	4:4:3:4:	4:4:2:1:	4:3:3:	C[5,5]-4:C[5,5]-4:C[5,6a]-3:C[5]-4:	C[5,3x6]-4:C[5,5]-4:O-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]N[5,6,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,3x6]HO)	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5,5]C[5,6a]C[5,5]2)(OH)(H)	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]N[5,6,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,3x6]HO){1|C<4>,1|O<2>,1|S<2>,2|N<3>,4|H<1>,6|C<3>}	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5,5]C[5,6a]C[5,5]2)(OH)(H){1|H<1>,1|O<1>,1|S<2>,2|C<4>,2|N<3>,4|C<3>}	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	110.0675	0.088	2	110.0675	0.008	2	110.0675	0.008	2	110.0675	0.008	2	115.3788	8.544	1129	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5a]	3:3:3:4:	4:4:1:1:	4:2:2:	C[5,6a]-3:C[5a]-3:N[5,5]-3:C[5]-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:N[5a]-2:O[5a]-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]O[5a])(N[5,5]C[5]2)(C[5]C[5]HH)	C[5](C[5,5]C[5,6a]N[5,5]C[5a])(C[5]C[5]HH)(H)2	C[5a](C[5,5]C[5,6a]N[5,5]C[5])(N[5a]C[5a,6a])(O[5a]C[5a,6a])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]O[5a])(N[5,5]C[5]2)(C[5]C[5]HH){1|O<1>,4|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]C[5a])(C[5]C[5]HH)(H)2{1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5,5]C[5,6a]N[5,5]C[5])(N[5a]C[5a,6a])(O[5a]C[5a,6a]){2|C<4>,2|H<1>,5|C<3>}	109.3520	0.000	1	109.3520	0.000	1	109.3520	0.000	1	109.3520	0.000	1	111.6336	7.481	17	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5a]	3:3:4:2:	4:4:1:1:	4:2:2:	C[5a]-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:N[5a]-2:O[5a]-2:	C[5,5](C[5a]N[5a]O[5a])(N[5,5]C[5]2)(C[5]C[5]HH)(O[5]N[5])	C[5](C[5,5]N[5,5]C[5a]O[5])(C[5]C[5]HH)(H)2	C[5a](C[5,5]N[5,5]C[5]O[5])(N[5a]C[5a])(O[5a]N[5a])	C[5,5](C[5a]N[5a]O[5a])(N[5,5]C[5]2)(C[5]C[5]HH)(O[5]N[5]){1|N<2>,2|C<3>,4|H<1>}	C[5](C[5,5]N[5,5]C[5a]O[5])(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,2|N<2>}	C[5a](C[5,5]N[5,5]C[5]O[5])(N[5a]C[5a])(O[5a]N[5a]){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	114.5950	0.000	1	114.5950	0.000	1	114.5950	0.000	1	114.5950	0.000	1	111.6336	7.481	17	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5a]	3:3:4:3:	4:4:1:1:	4:3:3:	C[5a]-3:C[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[5a]-3:N[5a]-3:	C[5,5](C[5a]C[5a]N[5a])(C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5](C[5,5]C[5,5]C[5a]C[5])(C[5]C[5]HH)(H)2	C[5a](C[5,5]C[5,5]C[5]2)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5,5](C[5a]C[5a]N[5a])(C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|Au<2>,1|C<4>,3|C<3>,6|H<1>}	C[5](C[5,5]C[5,5]C[5a]C[5])(C[5]C[5]HH)(H)2{1|N<3>,1|P<4>,2|H<1>,3|C<3>}	C[5a](C[5,5]C[5,5]C[5]2)(C[5a]C[5a]H)(N[5a]C[5a]H){1|P<4>,2|C<3>,3|C<4>,3|H<1>}	109.7430	0.000	1	109.1623	0.521	7	109.1623	0.521	7	109.1623	0.521	7	111.6336	7.481	17	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5a]	3:3:4:3:	4:4:1:1:	4:3:3:	C[5a]-3:C[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[5a]-3:N[5a]-3:	C[5,5](C[5a]C[5a]N[5a])(C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5](C[5,5]C[5,5]C[5a]C[5])(C[5]C[5]HH)(H)2	C[5a](C[5,5]C[5,5]C[5]2)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5,5](C[5a]C[5a]N[5a])(C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|C<4>,1|S<1>,3|C<3>,6|H<1>}	C[5](C[5,5]C[5,5]C[5a]C[5])(C[5]C[5]HH)(H)2{1|N<3>,1|P<4>,2|H<1>,3|C<3>}	C[5a](C[5,5]C[5,5]C[5]2)(C[5a]C[5a]H)(N[5a]C[5a]H){1|P<4>,2|C<3>,3|C<4>,3|H<1>}	109.9630	0.061	2	109.1623	0.521	7	109.1623	0.521	7	109.1623	0.521	7	111.6336	7.481	17	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5a]	3:3:4:3:	4:4:1:1:	4:3:3:	C[5a]-3:C[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[5a]-3:N[5a]-3:	C[5,5](C[5a]C[5a]N[5a])(C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C)	C[5](C[5,5]C[5,5]C[5a]C[5])(C[5]C[5]HH)(H)2	C[5a](C[5,5]C[5,5]C[5]2)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5,5](C[5a]C[5a]N[5a])(C[5,5]C[5]2)(C[5]C[5]HH)(C[5]P[5]C){1|Pd<4>,1|C<4>,3|C<3>,6|H<1>}	C[5](C[5,5]C[5,5]C[5a]C[5])(C[5]C[5]HH)(H)2{1|N<3>,1|P<4>,2|H<1>,3|C<3>}	C[5a](C[5,5]C[5,5]C[5]2)(C[5a]C[5a]H)(N[5a]C[5a]H){1|P<4>,2|C<3>,3|C<4>,3|H<1>}	108.6167	0.324	4	109.1623	0.521	7	109.1623	0.521	7	109.1623	0.521	7	111.6336	7.481	17	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5a]-3:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5a,6a]-3:C[5a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5,5]N[5,6]N[5]H)(C[5]C[5,6]HH)	C[5](C[5,5]C[5,6a]C[5,5]C[5a])(C[5,6]N[5,6]C[6]S)(H)2	C[5a](C[5,5]C[5,6a]C[5,5]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5,5]N[5,6]N[5]H)(C[5]C[5,6]HH){1|N<3>,1|S<2>,3|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5a])(C[5,6]N[5,6]C[6]S)(H)2{1|H<1>,1|O<1>,2|N<3>,5|C<3>}	C[5a](C[5,5]C[5,6a]C[5,5]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,2|N<3>,4|C<3>,5|H<1>}	111.8890	0.000	1	111.8890	0.000	1	111.8890	0.000	1	111.8890	0.000	1	111.6336	7.481	17	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5a]	3:3:4:4:	4:4:2:1:	4:3:3:	C[5,6a]-3:C[5a]-3:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6]-4:O-2:H-1:	C[5,5]-4:C[5a,6a]-3:C[5a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5,5]N[5,6]N[5]H)(C[5]C[5,6]HO)	C[5](C[5,5]C[5,6a]C[5,5]C[5a])(C[5,6]N[5,6]C[6]O)(OC)(H)	C[5a](C[5,5]C[5,6a]C[5,5]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5,5]N[5,6]N[5]H)(C[5]C[5,6]HO){1|N<3>,1|O<2>,1|S<4>,2|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5a])(C[5,6]N[5,6]C[6]O)(OC)(H){1|H<1>,1|O<1>,2|N<3>,5|C<3>}	C[5a](C[5,5]C[5,6a]C[5,5]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|O<2>,2|N<3>,3|H<1>,5|C<3>}	116.0240	0.000	1	116.0240	0.000	1	116.0240	0.000	1	116.0240	0.000	1	111.6336	7.481	17	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5a]	4:3:3:4:	4:4:2:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5a]-3:C[5]-4:	C[5,3x6]-4:C[5,5]-4:O-2:H-1:	C[5,5]-4:C[5a,6a]-3:C[5a]-3:	C[5,5](C[5,5]N[5,6,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5,3x6]HO)	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5,5]C[5,6a]C[5,5]C[5a])(OC)(H)	C[5a](C[5,5]C[5,6a]C[5,5]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5,5](C[5,5]N[5,6,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5,3x6]HO){1|N<3>,1|S<2>,3|H<1>,6|C<3>}	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5,5]C[5,6a]C[5,5]C[5a])(OC)(H){1|H<1>,1|O<1>,1|S<2>,2|N<3>,5|C<3>}	C[5a](C[5,5]C[5,6a]C[5,5]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|O<2>,2|N<3>,4|C<3>,4|H<1>}	112.0530	0.475	2	112.0530	0.226	2	112.0530	0.226	2	112.0530	0.226	2	111.6336	7.481	17	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5a]	4:3:4:2:	4:3:4:1:	4:3:2:	C[5,5]-4:C[5a]-3:C[5]-4:O[5]-2:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5a]-3:O[5a]-2:	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[5](C[5,5]C[5,5]C[5a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5a](C[5,5]C[5,5]C[5]O[5])(C[5a]C[5a]H)(O[5a]C[5a])	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[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[5a](C[5,5]C[5,5]C[5]O[5])(C[5a]C[5a]H)(O[5a]C[5a]){1|Br<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	115.4390	0.000	1	115.4390	0.000	1	115.4390	0.000	1	115.2257	0.544	3	111.6336	7.481	17	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5a]	4:3:4:2:	4:3:4:1:	4:3:2:	C[5,5]-4:C[5a]-3:C[5]-4:O[5]-2:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5a]-3:S[5a]-2:	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[5](C[5,5]C[5,5]C[5a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5a](C[5,5]C[5,5]C[5]O[5])(C[5a]C[5a]H)(S[5a]C[5a])	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[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[5a](C[5,5]C[5,5]C[5]O[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|Br<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	114.4050	0.000	1	115.1190	1.020	2	115.1190	1.020	2	115.2257	0.544	3	111.6336	7.481	17	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5a]	4:3:4:2:	4:3:4:1:	4:3:2:	C[5,5]-4:C[5a]-3:C[5]-4:O[5]-2:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5a]-3:S[5a]-2:	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[5](C[5,5]C[5,5]C[5a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5a](C[5,5]C[5,5]C[5]O[5])(C[5a]C[5a]H)(S[5a]C[5a])	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[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[5a](C[5,5]C[5,5]C[5]O[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	115.8330	0.000	1	115.1190	1.020	2	115.1190	1.020	2	115.2257	0.544	3	111.6336	7.481	17	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,5]	C[5]	C[5a]	4:3:4:2:	4:4:1:1:	4:3:2:	C[5,5,6]-4:C[5a]-3:C[5]-4:O[5]-2:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,5]-4:C[5a]-3:O[5a]-2:	C[5,5](C[5,5,6]C[5,6]2H)(C[5a]C[5a]O[5a])(C[5]C[5,6]HH)(O[5]C[5])	C[5](C[5,5]C[5,5,6]C[5a]O[5])(C[5,6]C[5,6]C[6]H)(H)2	C[5a](C[5,5]C[5,5,6]C[5]O[5])(C[5a]C[5a]H)(O[5a]C[5a])	C[5,5](C[5,5,6]C[5,6]2H)(C[5a]C[5a]O[5a])(C[5]C[5,6]HH)(O[5]C[5]){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[5](C[5,5]C[5,5,6]C[5a]O[5])(C[5,6]C[5,6]C[6]H)(H)2{1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5a](C[5,5]C[5,5,6]C[5]O[5])(C[5a]C[5a]H)(O[5a]C[5a]){4|C<4>,5|H<1>}	111.9920	0.000	1	111.9920	0.000	1	111.9920	0.000	1	111.9920	0.000	1	111.6336	7.481	17	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6,6]	C[5,3x6]	C[5,6a]	4:4:3:1:	4:4:3:3:	4:3:3:	C[5,5,6,6]-4:C[5,3x6]-4:C[5,6a]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:C[5]-3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,5]C[5])(C[5,3x6]C[5,6,6]2C[5])(C[5,6a]C[5,6a]C[6a])(H)	C[5,3x6](C[5,6,6]C[5,5,6,6]C[5,6a]H)(C[5,6,6]C[5,6,6]C[5,6a]O)(C[5,6,6]C[5,6,6]C[5,6a])(C[5]C[5,6a]O)	C[5,6a](C[5,6,6]C[5,5,6,6]C[5,3x6]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,5]C[5])(C[5,3x6]C[5,6,6]2C[5])(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|H<1>,2|O<1>,2|O<2>,9|C<3>}	C[5,3x6](C[5,6,6]C[5,5,6,6]C[5,6a]H)(C[5,6,6]C[5,6,6]C[5,6a]O)(C[5,6,6]C[5,6,6]C[5,6a])(C[5]C[5,6a]O){1|H<1>,2|C<4>,9|C<3>}	C[5,6a](C[5,6,6]C[5,5,6,6]C[5,3x6]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|H<1>,2|C<4>,2|O<2>,5|C<3>}	115.9950	0.000	1	115.9950	0.000	1	115.9950	0.000	1	115.9950	0.000	1	113.3617	2.922	7	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6,6]	C[5,3x6]	C[5,6a]	4:4:3:2:	4:3:4:3:	4:3:3:	C[5,3x6]-4:C[5,6,6]-4:C[5,6a]-3:O-2:	C[5,6,6]-4:C[5,6,6]-3:C[6,6]-4:C[5]-3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(OH)	C[5,3x6](C[5,6,6]C[5,6,6]C[5,6a]O)(C[5,6,6]C[5,6,6]C[5,6a])(C[6,6]C[5,6,6]C[6a]H)(C[5]C[5,6a]O)	C[5,6a](C[5,6,6]C[5,3x6]C[5,6,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(OH){1|C<4>,2|H<1>,2|O<1>,7|C<3>}	C[5,3x6](C[5,6,6]C[5,6,6]C[5,6a]O)(C[5,6,6]C[5,6,6]C[5,6a])(C[6,6]C[5,6,6]C[6a]H)(C[5]C[5,6a]O){10|C<3>,1|C<4>,1|H<1>}	C[5,6a](C[5,6,6]C[5,3x6]C[5,6,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	113.1770	0.470	4	113.1770	0.221	4	113.1770	0.221	4	113.1770	0.221	4	113.3617	2.922	7	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6,6]	C[5,3x6]	C[5,6a]	4:4:3:2:	4:4:3:3:	4:3:3:	C[5,3x6]-4:C[5,6,6]-4:C[5,6a]-3:O-2:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:C[5]-3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6,6](C[5,3x6]C[5,6,6]2C[5])(C[5,6,6]C[5,3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(OH)	C[5,3x6](C[5,6,6]C[5,5,6,6]C[5,6a]H)(C[5,6,6]C[5,6,6]C[5,6a]O)(C[5,6,6]C[5,6,6]C[5,6a])(C[5]C[5,6a]O)	C[5,6a](C[5,6,6]C[5,3x6]C[5,6,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6,6](C[5,3x6]C[5,6,6]2C[5])(C[5,6,6]C[5,3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(OH){1|C<4>,2|H<1>,2|O<1>,7|C<3>}	C[5,3x6](C[5,6,6]C[5,5,6,6]C[5,6a]H)(C[5,6,6]C[5,6,6]C[5,6a]O)(C[5,6,6]C[5,6,6]C[5,6a])(C[5]C[5,6a]O){1|H<1>,2|C<4>,9|C<3>}	C[5,6a](C[5,6,6]C[5,3x6]C[5,6,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	114.4150	0.000	1	114.4150	0.000	1	114.4150	0.000	1	114.4150	0.000	1	113.3617	2.922	7	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6,6]	C[5,3x6]	C[5,6a]	4:4:3:3:	4:3:4:3:	4:3:3:	C[5,3x6]-4:C[5,6,6]-4:C[5,6a]-3:C[5]-3:	C[5,6,6]-4:C[5,6,6]-3:C[6,6]-4:C[5]-3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)	C[5,3x6](C[5,6,6]C[5,6,6]C[5,6a]C[5])(C[5,6,6]C[5,6,6]C[5,6a])(C[6,6]C[5,6,6]C[6a]H)(C[5]C[5,6a]O)	C[5,6a](C[5,6,6]C[5,3x6]C[5,6,6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]2){1|C<4>,1|O<2>,2|H<1>,3|O<1>,9|C<3>}	C[5,3x6](C[5,6,6]C[5,6,6]C[5,6a]C[5])(C[5,6,6]C[5,6,6]C[5,6a])(C[6,6]C[5,6,6]C[6a]H)(C[5]C[5,6a]O){12|C<3>,1|C<4>,1|H<1>}	C[5,6a](C[5,6,6]C[5,3x6]C[5,6,6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	110.4140	0.000	1	110.4140	0.000	1	110.4140	0.000	1	110.4140	0.000	1	113.3617	2.922	7	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6,6]	C[5,5,6,6]	C[5,6a]	4:4:3:3:	4:4:3:2:	4:3:3:	C[5,5,6,6]-4:C[5,6,6]-4:C[5,6a]-3:C[5]-3:	C[5,6,6]-4:C[5,5,6]-4:C[5,6a]-3:O[5,6]-2:	C[5,6,6]-4:C[5,6a]-3:C[6a]-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)	C[5,5,6,6](C[5,6,6]C[5,6,6]C[5,6a]C[5])(C[5,5,6]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,5,6])	C[5,6a](C[5,6,6]C[5,5,6,6]C[5,6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	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[5,5,6,6](C[5,6,6]C[5,6,6]C[5,6a]C[5])(C[5,5,6]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,5,6]){1|H<1>,1|N<3>,1|O<2>,2|C<4>,2|O<1>,6|C<3>}	C[5,6a](C[5,6,6]C[5,5,6,6]C[5,6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|O<2>,3|C<3>,3|H<1>}	114.4010	0.000	1	114.4010	0.000	1	114.4010	0.000	1	114.4010	0.000	1	114.4010	0.000	1	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6,6]	C[5,5,6]	C[5a,6]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,6,6]-4:C[5,5,6]-4:C[5a,6]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,6,6]-4:C[5a,6]-3:C[5a]-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]H)(C[5a,6]C[5a,6]C[5a])(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[5a,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5a,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5a,6]C[5,6,6]N[5a])(C[5a]N[5a]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]H)(C[5a,6]C[5a,6]C[5a])(H){1|C<3>,1|N<2>,1|N<3>,2|C<4>,6|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[5a,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5a,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5a,6]C[5,6,6]N[5a])(C[5a]N[5a]H){1|C<3>,3|H<1>,5|C<4>}	112.1410	0.000	1	112.1410	0.000	1	112.1410	0.000	1	113.0670	1.715	2	113.0670	1.715	2	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6,6]	C[5,5,6]	C[5a,6]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,6,6]-4:C[5,5,6]-4:C[5a,6]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,6,6]-4:C[5a,6]-3:N[5a]-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]H)(C[5a,6]C[5a,6]N[5a])(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[5a,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5a,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5a,6]C[5,6,6]C[5a])(N[5a]N[5a]C)	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]H)(C[5a,6]C[5a,6]N[5a])(H){1|N<2>,2|C<3>,3|C<4>,5|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[5a,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5a,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5a,6]C[5,6,6]C[5a])(N[5a]N[5a]C){1|C<3>,4|C<4>,4|H<1>}	113.9930	0.000	1	113.9930	0.000	1	113.9930	0.000	1	113.0670	1.715	2	113.0670	1.715	2	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6a]	4:3:3:4:	4:4:3:3:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5,6]-4:	C[5,6,6]-4:C[5,6,6]-4:C[5]-3:C[5]-3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-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[5,6]C[5])(C[5,6]C[5]C[6]H)	C[5,6,6](C[5,6,6]C[5,6a]C[5,6]O[6])(C[5,6,6]C[5,6a]C[5,6]2)(C[5]C[5,6a]O)2	C[5,6a](C[5,6,6]C[5,6,6]C[5,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6]C[5])(C[5,6]C[5]C[6]H){1|C<4>,1|O<2>,2|H<1>,4|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>}	C[5,6a](C[5,6,6]C[5,6,6]C[5,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	111.1745	0.609	2	111.1745	0.371	2	111.1745	0.371	2	111.1745	0.371	2	114.1959	16.333	7	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6a]	4:3:4:2:	4:4:3:3:	4:3:3:	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[5,6a]-3:C[6a]-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	C[5,6a](C[5,6,6]C[5,6,6]C[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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>}	C[5,6a](C[5,6,6]C[5,6,6]C[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	112.9650	1.048	2	112.9650	1.098	2	112.9650	1.098	2	112.9650	1.098	2	114.1959	16.333	7	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6a]	4:4:3:1:	4:4:4:3:	4:3:3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6a]-3:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])2(C[5,6a]C[5,6a]C[6a])(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6a]H)(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]C[5,6]C)	C[5,6a](C[5,6,6]C[5,6,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])2(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,7|H<1>,8|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6a]H)(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]C[5,6]C){1|H<1>,3|C<4>,5|C<3>}	C[5,6a](C[5,6,6]C[5,6,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	119.9500	0.000	2	119.9500	0.000	2	119.9500	0.000	2	119.9500	0.000	2	114.1959	16.333	7	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6a]	4:4:3:3:	4:4:2:3:	4:3:3:	C[5,5,6,6]-4:C[5,6,6]-4:C[5,6a]-3:C[5]-3:	C[5,6,6]-4:C[5,6]-4:O[5,6]-2:C[6a]-3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-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)	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[5,6a](C[5,6,6]C[5,5,6,6]C[5,6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	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[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[5,6a](C[5,6,6]C[5,5,6,6]C[5,6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|O<2>,3|C<3>,3|H<1>}	111.1920	0.000	1	111.1920	0.000	1	111.1920	0.000	1	111.1920	0.000	1	114.1959	16.333	7	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6,6]	C[5,6]	C[5a,6]	3:4:3:3:	4:4:1:1:	4:3:3:	C[5a,6]-3:C[5,6]-4:N[5,6]-3:C[6]-3:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[5a,6]-3:N[5a]-3:	C[5,6,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]HH)(N[5,6]C[5]C[6])(C[6]C[6]H)	C[5,6](C[5,6,6]C[5a,6]N[5,6]C[6])(C[5,6]C[5]C[6]H)(H)2	C[5a,6](C[5,6,6]C[5,6]N[5,6]C[6])(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[5,6,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]HH)(N[5,6]C[5]C[6])(C[6]C[6]H){2|C<4>,3|C<3>,6|H<1>}	C[5,6](C[5,6,6]C[5a,6]N[5,6]C[6])(C[5,6]C[5]C[6]H)(H)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[5a,6](C[5,6,6]C[5,6]N[5,6]C[6])(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){3|C<3>,3|C<4>,5|H<1>}	117.3140	0.000	1	117.3140	0.000	1	117.3140	0.000	1	117.3140	0.000	1	115.5210	6.430	2	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6,6]	C[5,6]	C[5a,6]	3:4:3:4:	4:4:4:1:	4:3:3:	C[5a,6]-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[5a,6]-3:N[5a]-3:	C[5,6,6](C[5a,6]C[5a,6]N[5a])(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[5a,6]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5a,6](C[5,6,6]C[5,6]N[5,6]C[6])(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[5,6,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,9|H<1>}	C[5,6](C[5,6,6]C[5a,6]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[5a,6](C[5,6,6]C[5,6]N[5,6]C[6])(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){3|C<3>,4|C<4>,5|H<1>}	113.7280	0.000	1	113.7280	0.000	1	113.7280	0.000	1	113.7280	0.000	1	115.5210	6.430	2	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6,6]	C[5]	C[5,6,6a]	3:3:4:4:	4:4:2:1:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C[5]-4:	C[5,6,6]-4:C[5]-4:O[5]-2:H-1:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Fe)(C[5]C[5]O[5]H)	C[5](C[5,6,6]C[5,6,6a]2C[5,6,6])(C[5]C[5]HH)(O[5]C[5])(H)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Fe)(C[5]C[5]O[5]H){2|H<1>,4|C<3>,6|C<4>}	C[5](C[5,6,6]C[5,6,6a]2C[5,6,6])(C[5]C[5]HH)(O[5]C[5])(H){1|Fe<10>,2|C<4>,4|C<3>,4|H<1>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|Fe<10>,1|H<1>,1|O<2>,3|C<4>,7|C<3>}	113.2120	5.665	2	113.2120	32.096	2	113.2120	32.096	2	113.2120	32.096	2	113.2120	32.096	2	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[3x5,6]	C[5a,6]	4:3:3:1:	4:4:2:3:	4:3:3:	C[3x5,6]-4:C[5a,6]-3:N[5,6]-3:H-1:	C[5,6]-4:C[5,5,6]-4:O[5,5]-2:C[5,6]-3:	C[5,6]-4:C[5a,6]-3:N[5a]-3:	C[5,6](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(H)	C[3x5,6](C[5,6]C[5a,6]N[5,6]H)(C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)	C[5a,6](C[5,6]C[3x5,6]N[5,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[5,6](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(H){1|O<1>,3|C<4>,4|C<3>,4|H<1>}	C[3x5,6](C[5,6]C[5a,6]N[5,6]H)(C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5,6]C[3x5,6]N[5,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	117.7040	0.000	1	117.7040	0.000	1	117.7040	0.000	1	117.7040	0.000	1	117.7040	0.000	1	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6a]	4:3:4:3:	4:4:4:1:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6,6]-4:C[5]-3:	C[5,5,6,6]-4:C[5,5,6]-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[5,5,6,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[5]N[5]O)	C[5,5,6](C[5,5,6,6]C[5,3x6]C[5,6]C)(C[5,5,6]C[5,6,6]N[5,6]H)(C[5,6]C[5,6a]C[6,6]C[5])(H)	C[5,6a](C[5,6]C[5,5,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[5]N[5]O){1|N<4>,1|O<2>,3|C<3>,4|C<4>,4|H<1>}	C[5,5,6](C[5,5,6,6]C[5,3x6]C[5,6]C)(C[5,5,6]C[5,6,6]N[5,6]H)(C[5,6]C[5,6a]C[6,6]C[5])(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[5,6a](C[5,6]C[5,5,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,4|H<1>}	113.2900	0.000	1	113.2900	0.000	1	113.2900	0.000	1	113.2900	0.000	1	113.2900	0.000	1	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[5a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[5,6]-4:C[5a]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,6]-4:C[5a]-3:N[5a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[5a]C[5a]N[5a])(H)	C[5,5,6](C[5,6]C[5,6]C[5a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5a](C[5,6]C[5,5,6]C[5,6]H)(C[5a]C[5a,6a]H)(N[5a]C[5a,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[5a]C[5a]N[5a])(H){3|C<3>,6|H<1>}	C[5,5,6](C[5,6]C[5,6]C[5a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|N<3>,4|H<1>}	C[5a](C[5,6]C[5,5,6]C[5,6]H)(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	113.9540	0.000	1	113.9540	0.000	1	113.9540	0.000	1	113.9540	0.000	1	113.7266	1.009	5	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[5a]	4:4:3:1:	4:4:4:1:	4:2:2:	C[5,5,6]-4:C[5,6]-4:C[5a]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:N[5a]-2:O[5a]-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[5a]N[5a]O[5a])(H)	C[5,5,6](C[5,6]C[5,6]C[5a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5a](C[5,6]C[5,5,6]C[5,6]H)(N[5a]C[5a,6a])(O[5a]C[5a,6a])	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[5,5,6](C[5,6]C[5,6]C[5a]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[5a](C[5,6]C[5,5,6]C[5,6]H)(N[5a]C[5a,6a])(O[5a]C[5a,6a]){2|H<1>,3|C<3>,3|C<4>}	113.7330	0.000	1	113.7330	0.000	1	113.7330	0.000	1	113.7330	0.000	1	113.7266	1.009	5	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[5a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[5,5,6]-4:C[5,6]-4:C[5a]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:C[5a]-3:N[5a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[5a]C[5a]N[5a])(H)	C[5,5,6](C[5,6]C[5,6]C[5a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5a](C[5,6]C[5,5,6]C[5,6]H)(C[5a]C[5a,6a]H)(N[5a]C[5a,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[5a]C[5a]N[5a])(H){1|C<4>,2|C<3>,7|H<1>}	C[5,5,6](C[5,6]C[5,6]C[5a]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<3>,5|H<1>}	C[5a](C[5,6]C[5,5,6]C[5,6]H)(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H){2|C<3>,3|C<4>,3|H<1>}	115.2730	0.000	1	115.2730	0.000	1	115.2730	0.000	1	115.2730	0.000	1	113.7266	1.009	5	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[5a]	4:4:3:2:	4:4:4:4:	4:3:2:	C[5,5,6]-4:C[5,6]-4:C[5a]-3:O-2:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6]-4:N[5a]-3:N[5a]-2:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[5a]N[5a]2)(OC)	C[5,5,6](C[5,6]C[5,6]C[5a]O)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	C[5a](C[5,6]C[5,5,6]C[5,6]O)(N[5a]N[5a]H)(N[5a]N[5a])	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[5a]N[5a]2)(OC){2|N<2>,3|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5,6]C[5a]O)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|N<2>,1|N<3>,5|H<1>}	C[5a](C[5,6]C[5,5,6]C[5,6]O)(N[5a]N[5a]H)(N[5a]N[5a]){2|H<1>,4|C<4>}	112.8365	0.097	2	112.8365	0.009	2	112.8365	0.009	2	112.8365	0.009	2	113.7266	1.009	5	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5,5]	C[5a,6]	3:4:4:1:	4:3:4:1:	4:3:2:	C[5a,6]-3:C[5,6]-4:C[5,5]-4:H-1:	C[5,6]-4:N[5,5]-3:C[5]-4:H-1:	C[5,6]-4:N[5a,6]-3:N[5a]-2:	C[5,6](C[5a,6]N[5a,6]N[5a])(C[5,6]C[6,6a]C[5]H)(C[5,5]N[5,5]C[5]H)(H)	C[5,5](C[5,6]C[5a,6]C[5,6]H)(N[5,5]C[5]2)(C[5]S[5]HH)(H)	C[5a,6](C[5,6]C[5,5]C[5,6]H)(N[5a,6]C[6,6a]C[5a])(N[5a]C[5a])	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[5,5](C[5,6]C[5a,6]C[5,6]H)(N[5,5]C[5]2)(C[5]S[5]HH)(H){1|N<2>,1|N<3>,2|C<3>,4|H<1>}	C[5a,6](C[5,6]C[5,5]C[5,6]H)(N[5a,6]C[6,6a]C[5a])(N[5a]C[5a]){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	110.1885	0.199	2	110.1885	0.039	2	110.1885	0.039	2	110.1885	0.039	2	110.7043	0.368	4	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5,5]	C[5a,6]	4:3:2:1:	4:3:4:1:	4:3:3:	C[5,5]-4:C[5a,6]-3:O[5,6]-2:H-1:	C[5,6]-4:C[5,6a]-3:C[5,5]-4:H-1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5a,6]C[5a,6]C[5a])(O[5,6]C[5,6])(H)	C[5,5](C[5,6]C[5a,6]O[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5]H)(H)	C[5a,6](C[5,6]C[5,5]O[5,6]H)(C[5a,6]O[5a]C[6])(C[5a]C[5a]H)	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5a,6]C[5a,6]C[5a])(O[5,6]C[5,6])(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[5,5](C[5,6]C[5a,6]O[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5]H)(H){1|H<1>,2|C<4>,5|C<3>}	C[5a,6](C[5,6]C[5,5]O[5,6]H)(C[5a,6]O[5a]C[6])(C[5a]C[5a]H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	111.2200	0.013	2	111.2200	0.000	2	111.2200	0.000	2	111.2200	0.000	2	110.7043	0.368	4	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5,6,6]	C[5,6a]	4:3:3:1:	4:4:4:3:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6a]H)(C[5,6]C[5,6a]C[5,6]H)(C[5]C[5,6a]HH)(C[6]C[5]C[6])	C[5,6a](C[5,6]C[5,6,6]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(H){2|C<4>,6|C<3>,6|H<1>}	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6a]H)(C[5,6]C[5,6a]C[5,6]H)(C[5]C[5,6a]HH)(C[6]C[5]C[6]){1|H<1>,4|C<4>,6|C<3>}	C[5,6a](C[5,6]C[5,6,6]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	122.7900	0.000	2	122.7900	0.000	2	122.7900	0.000	2	122.7900	0.000	2	122.7900	0.000	2	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5,6,6]	C[5a]	4:4:3:1:	4:3:3:1:	4:2:2:	C[3,5,6]-4:C[5,6,6]-4:C[5a]-3:H-1:	C[5,6]-4:C[5,6]-3:C[6,6]-3:H-1:	C[5,6]-4:N[5a]-2:S[5a]-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]H)(C[5a]N[5a]S[5a])(H)	C[5,6,6](C[5,6]C[3,5,6]C[5a]H)(C[5,6]C[3,5,6]C)(C[6,6]C[6,6]H)(H)	C[5a](C[5,6]C[3,5,6]C[5,6,6]H)(N[5a]C[5a])(S[5a]C[5a])	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]H)(C[5a]N[5a]S[5a])(H){3|H<1>,4|C<3>}	C[5,6,6](C[5,6]C[3,5,6]C[5a]H)(C[5,6]C[3,5,6]C)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|N<2>,1|S<2>,2|H<1>}	C[5a](C[5,6]C[3,5,6]C[5,6,6]H)(N[5a]C[5a])(S[5a]C[5a]){2|C<4>,3|C<3>,3|H<1>}	114.3030	0.000	1	114.3030	0.000	1	114.3030	0.000	1	114.3030	0.000	1	114.3030	0.000	1	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:3:4:2:	3:3:4:2:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,6]-4:S[6]-2:	C[5,6a]-3:C[5,6a]-3:C[5,6]-4:S[6]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[5,6]C[5,6a]2S[6])(S[6]S[6])	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[5,6]C[5,6a]2S[6])(S[6]S[6])	C[5,6a](C[5,6]C[5,6a]C[5,6]S[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[5,6]C[5,6a]2S[6])(S[6]S[6]){1|S<2>,2|H<1>,8|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[5,6]C[5,6a]2S[6])(S[6]S[6]){1|S<2>,2|H<1>,8|C<3>}	C[5,6a](C[5,6]C[5,6a]C[5,6]S[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,2|S<2>,5|C<3>}	113.6273	2.077	4	113.6273	4.312	4	113.6273	4.312	4	113.6273	4.312	4	113.5946	4.770	64	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:3:4:3:	4:3:3:2:	3:4:3:	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[5,6a,6a]-3:C[5,6]-4:C[5,6a]-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[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6]C[5,6,6a]C[5,6]C[6a])(C[5,6a]C[5,6a,6a]C[5])	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[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6]C[5,6,6a]C[5,6]C[6a])(C[5,6a]C[5,6a,6a]C[5]){10|C<3>,3|O<2>}	116.5930	0.000	1	116.5930	0.000	1	116.5930	0.000	1	116.5930	0.000	1	113.5946	4.770	64	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:3:4:3:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5a,6]-3:C[5,6]-4:C[5]-3:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]O[5a])(C[5,6]C[5,6]C[5]H)(C[5]N[5]O)	C[5,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[5,6]C[5,6]HH)(C[5]C[5]H)(H)	C[5,6a](C[5,6]C[5a,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]O[5a])(C[5,6]C[5,6]C[5]H)(C[5]N[5]O){2|C<4>,4|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[5,6]C[5,6]HH)(C[5]C[5]H)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5a,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	113.6210	0.000	1	113.6210	0.000	1	113.6210	0.000	1	113.6210	0.000	1	113.5946	4.770	64	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:3:4:4:	4:4:4:1:	3:3:4:	C[5,6a]-3:C[5,6]-3:C[5,6]-4:C-4:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5]H)(CH3)	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6]C[5]H)(C[5]O[5]HH)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[5])(C[5,6]C[5,6]2C)	C[5,6](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5]H)(CH3){1|O<2>,2|C<4>,3|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6]C[5]H)(C[5]O[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[5])(C[5,6]C[5,6]2C){1|H<1>,1|O<1>,2|C<4>,6|C<3>}	113.4510	0.000	1	113.4510	0.000	1	113.4510	0.000	1	113.4510	0.000	1	113.5946	4.770	64	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:2:1:	4:4:3:4:	4:3:3:	C[5,6a]-3:C[5,6]-4:O[5,6]-2:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]C)(O[5,6]N[5,6])(H)	C[5,6](C[5,6]C[5,6a]O[5,6]H)(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]N)(CH3)	C[5,6a](C[5,6]C[5,6]O[5,6]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]C)(O[5,6]N[5,6])(H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]O[5,6]H)(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]N)(CH3){1|N<3>,2|C<4>,4|C<3>}	C[5,6a](C[5,6]C[5,6]O[5,6]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	113.2015	0.251	2	113.2015	0.063	2	113.2015	0.063	2	113.2015	0.063	2	113.5946	4.770	64	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:2:1:	4:4:4:4:	4:3:3:	C[5,6a]-3:C[5,6]-4:O[5,6]-2:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]C)(O[5,6]N[5,6])(H)	C[5,6](C[5,6]C[5,6a]O[5,6]H)(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HN)(CH3)	C[5,6a](C[5,6]C[5,6]O[5,6]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]C)(O[5,6]N[5,6])(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]O[5,6]H)(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HN)(CH3){1|N<3>,2|C<4>,4|C<3>}	C[5,6a](C[5,6]C[5,6]O[5,6]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<3>,2|H<1>,4|C<4>}	114.6040	0.000	1	114.6040	0.000	1	114.6040	0.000	1	114.6040	0.000	1	113.5946	4.770	64	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:3:1:	4:4:4:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(H)	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[5,6a](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	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[5,6a](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	115.9490	0.000	1	115.9490	0.000	1	114.8935	0.724	4	114.8935	0.724	4	113.5946	4.770	64	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:3:1:	4:4:4:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(H)	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[5,6a](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	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[5,6a](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	114.5417	0.586	3	114.5417	0.343	3	114.8935	0.724	4	114.8935	0.724	4	113.5946	4.770	64	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:3:2:	4:3:4:1:	4:3:3:	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[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[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)	C[5,6a](C[5,6]C[5,6]C[5]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]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>}	C[5,6a](C[5,6]C[5,6]C[5]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	113.5720	0.000	1	113.5720	0.000	1	113.5720	0.000	1	113.5720	0.000	1	113.5946	4.770	64	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:3:2:	4:4:4:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[6]-2:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]N[5]O)(N[6]C[6])	C[5,6](C[5,6]C[5,6a]C[5]N[6])(C[5,6]C[5]N[6]H)(C[5]C[5]HH)(H)	C[5,6a](C[5,6]C[5,6]C[5]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]N[5]O)(N[6]C[6]){1|N<3>,1|S<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6a]C[5]N[6])(C[5,6]C[5]N[6]H)(C[5]C[5]HH)(H){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5,6a](C[5,6]C[5,6]C[5]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	113.1590	0.000	1	113.1590	0.000	1	113.1590	0.000	1	114.2755	2.493	2	113.5946	4.770	64	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:3:2:	4:4:4:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:N[5,6]-3:O-2:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5,6]C[5]C[6])(OH)	C[5,6](C[5,6]C[5,6a]N[5,6]O)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H)	C[5,6a](C[5,6]C[5,6]N[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5,6]C[5]C[6])(OH){1|C<4>,1|O<1>,1|O<2>,3|C<3>,6|H<1>}	C[5,6](C[5,6]C[5,6a]N[5,6]O)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]N[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	115.3920	0.000	1	115.3920	0.000	1	115.3920	0.000	1	114.2755	2.493	2	113.5946	4.770	64	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:3:3:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-3:C[5]-3:	C[5,6]-4:N[5,6]-3:C[5]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[5]H)(C[6]C[5,6]C[6a])(C[5]C[5a]N[5])	C[5,6](C[5,6]C[5,6a]C[5]C[6])(N[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]C)(H)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[5]H)(C[6]C[5,6]C[6a])(C[5]C[5a]N[5]){10|C<3>,1|H<1>,1|N<3>}	C[5,6](C[5,6]C[5,6a]C[5]C[6])(N[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]C)(H){2|N<2>,7|C<3>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	122.7640	0.000	1	122.7640	0.000	1	122.7640	0.000	1	122.7640	0.000	1	113.5946	4.770	64	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:3:4:	4:3:4:3:	3:4:3:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:C-4:	C[5,6]-4:C[6,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]2)(C[5,6]N[5]N[6])(CCHH)	C[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[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5,6]2C)(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]2)(C[5,6]N[5]N[6])(CCHH){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[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[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5,6]2C)(C[6a]C[6a]H){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	119.0260	0.000	1	119.0260	0.000	1	119.0260	0.000	1	119.0260	0.000	1	113.5946	4.770	64	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:1:	4:4:3:3:	3:4:3:	C[5,6a]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[5]-3:N[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]2)(C[5,6]C[5]2N[6])(H)	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(N[6]C[6,6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2H)(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]2)(C[5,6]C[5]2N[6])(H){2|O<1>,4|H<1>,8|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(N[6]C[6,6a]H){8|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2H)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	113.5415	0.054	2	113.5415	0.003	2	113.5415	0.003	2	113.5415	0.003	2	113.5946	4.770	64	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:1:	4:4:4:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5,6]C[6]N[5]H)(H)	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5,6]2H)(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5,6]C[6]N[5]H)(H){2|C<4>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5,6]2H)(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	112.4360	0.000	1	112.4360	0.000	1	112.4360	0.000	1	112.4360	0.000	1	113.5946	4.770	64	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:3:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6]-3:N[5]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6]C[6]CH)(C[5]N[5]O)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5,6a]C[6])(N[5]C[5,6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6]C[6]CH)(C[5]N[5]O){1|C<4>,4|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5,6a]C[6])(N[5]C[5,6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	113.1190	0.000	1	113.1190	0.000	1	113.1190	0.000	1	113.9270	1.306	2	113.5946	4.770	64	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:3:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:N[5,6]-3:N[5]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[5]H)(C[6]C[6]CC)(C[5]N[5]O)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]C)(H)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[5]H)(C[6]C[6]CC)(C[5]N[5]O){1|H<1>,2|C<4>,6|C<3>}	C[5,6](C[5,6]C[5,6a]C[5]C[6])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]C)(H){1|N<3>,1|O<1>,2|C<2>,6|C<3>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<1>,2|C<2>,2|C<3>,2|H<1>,2|N<3>}	114.7350	0.000	1	114.7350	0.000	1	114.7350	0.000	1	113.9270	1.306	2	113.5946	4.770	64	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:3:	4:3:4:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CH)(H)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O){4|H<1>,7|C<3>}	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,5|C<3>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	112.9300	1.068	2	112.9300	1.140	2	112.9300	1.140	2	113.6620	1.095	4	113.5946	4.770	64	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:3:	4:3:4:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[5]N[5]C)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[5]N[5]C){2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[5]C[6])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H){1|C<4>,1|N<2>,4|C<3>,6|H<1>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	114.3650	0.000	1	114.3650	0.000	1	114.3940	0.002	2	113.6620	1.095	4	113.5946	4.770	64	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:3:	4:3:4:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[5]N[5]O)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[5]N[5]O){2|C<4>,3|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[5]C[6])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H){1|N<3>,1|O<1>,4|C<3>,6|H<1>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	114.4230	0.000	1	114.4230	0.000	1	114.3940	0.002	2	113.6620	1.095	4	113.5946	4.770	64	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:3:	4:4:2:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(C[5]N[5]O)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(H)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]N[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(C[5]N[5]O){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(H){1|H<1>,1|N<3>,2|O<1>,6|C<3>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]N[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	113.2270	0.000	1	113.2270	0.000	1	113.2270	0.000	1	113.2270	0.000	1	113.5946	4.770	64	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:4:	4:3:4:3:	3:4:3:	C[5,6a]-3:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:C[6,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]2)(C[5,6]N[5]N[6]H)(CCHH)	C[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[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5,6]2C)(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]2)(C[5,6]N[5]N[6]H)(CCHH){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[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[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5,6]2C)(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	111.6790	0.000	1	111.6790	0.000	1	111.6790	0.000	1	111.6790	0.000	1	113.5946	4.770	64	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	4:3:2:1:	4:3:3:1:	4:3:3:	C[5,6]-4:C[5,6a]-3:O[5,6]-2:H-1:	C[5,6]-4:C[5,6a]-3:C[5,6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(O[5,6]N[5,6])(H)	C[5,6](C[5,6]C[5,6a]O[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(H)	C[5,6a](C[5,6]C[5,6]O[5,6]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(O[5,6]N[5,6])(H){1|C<4>,1|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]O[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(H){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]O[5,6]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	111.7730	0.000	1	111.7730	0.000	1	111.7730	0.000	1	111.7730	0.000	1	113.5946	4.770	64	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	4:3:3:1:	4:3:2:1:	3:4:3:	C[5,6]-4:C[5,6a]-3:C[5,6]-3:H-1:	C[5,6]-4:C[5,6a]-3:O[5,6]-2:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,6]C[5,6a]O[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(O[5,6]N[5,6])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2H)(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]O[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(H){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(O[5,6]N[5,6])(H){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2H)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	117.1630	0.000	1	117.1630	0.000	1	117.1630	0.000	1	117.1630	0.000	1	113.5946	4.770	64	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	4:3:3:1:	4:3:3:1:	3:4:3:	C[5,6]-4:C[5,6a]-3:C[5,6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[5,6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2H)(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(H){1|Si<4>,1|C<4>,3|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(H){1|Si<4>,1|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2H)(C[6a]C[6a]H){1|Si<4>,1|C<4>,3|C<3>,3|H<1>}	117.1260	0.082	2	117.1260	0.007	2	117.1260	0.007	2	117.1260	0.007	2	113.5946	4.770	64	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	4:3:3:2:	4:3:3:2:	4:3:3:	C[5,6]-4:C[5,6a]-3:N[5,6]-3:O-2:	C[5,6]-4:C[5,6a]-3:N[5,6]-3:O-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5,6a]N[5,6]O)(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(OH)	C[5,6](C[5,6]C[5,6a]N[5,6]O)(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(OH)	C[5,6a](C[5,6]C[5,6]N[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]N[5,6]O)(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(OH){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]N[5,6]O)(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(OH){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[5,6a](C[5,6]C[5,6]N[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	115.0750	0.201	2	115.0750	0.040	2	115.0750	0.040	2	115.0750	0.040	2	113.5946	4.770	64	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	4:3:3:2:	4:3:4:3:	3:4:3:	C[5,6]-4:C[5,6a]-3:C[5,6]-3:O-2:	C[5,6]-4:C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(OH)	C[5,6](C[5,6]C[5,6a]C[5,6]O)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2O)(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(OH){1|C<4>,1|N<3>,2|H<1>,2|O<1>,6|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6]O)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O){1|C<4>,2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	114.0430	0.000	1	114.0430	0.000	1	114.0430	0.000	1	114.0430	0.000	1	113.5946	4.770	64	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	4:3:3:3:	4:3:3:3:	3:4:3:	C[5,6]-4:C[5,6a]-3:N[5,6]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:N[5,6]-3:C[5]-3:	C[5,6a,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,6]C[5,6a]N[5,6]C[5])(C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5]C[5,6a]O)	C[5,6](C[5,6]C[5,6a]N[5,6]C[5])(C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5]C[5,6a]O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]N[5,6]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]N[5,6]C[5])(C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5]C[5,6a]O){1|O<1>,4|C<4>,4|H<1>,6|C<3>}	C[5,6](C[5,6]C[5,6a]N[5,6]C[5])(C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5]C[5,6a]O){1|O<1>,4|C<4>,4|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]N[5,6]C[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,5|C<3>}	111.3427	0.762	4	111.3427	0.581	4	111.3427	0.581	4	111.3427	0.581	4	113.5946	4.770	64	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	4:3:3:3:	4:3:3:3:	4:3:3:	C[5,6]-4:C[5,6a]-3:C[5]-3:N[6]-3:	C[5,6]-4:C[5,6a]-3:N[5,6]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5,6a]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[6]C[6]H)	C[5,6](C[5,6]C[5,6a]C[5]N[6])(C[5,6a]C[5,6a]C[6a])(N[5,6]N[5,6]C[5])(C[5]N[5]O)	C[5,6a](C[5,6]C[5,6]C[5]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[6]C[6]H){1|H<1>,1|O<1>,1|S<1>,2|C<4>,2|N<3>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[5]N[6])(C[5,6a]C[5,6a]C[6a])(N[5,6]N[5,6]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,3|C<4>,3|H<1>,6|C<3>}	C[5,6a](C[5,6]C[5,6]C[5]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	114.5100	0.000	1	114.5100	0.000	1	114.5100	0.000	1	112.3654	3.189	12	113.5946	4.770	64	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	4:3:3:3:	4:3:3:3:	4:3:3:	C[5,6]-4:C[5,6a]-3:N[5,6]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[5]-3:N[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5,6a]C[5]N[6])(C[5,6a]C[5,6a]C[6a])(N[5,6]N[5,6]C[5])(C[5]N[5]O)	C[5,6](C[5,6]C[5,6a]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[6]C[6]H)	C[5,6a](C[5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[5]N[6])(C[5,6a]C[5,6a]C[6a])(N[5,6]N[5,6]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,3|C<4>,3|H<1>,6|C<3>}	C[5,6](C[5,6]C[5,6a]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[6]C[6]H){1|H<1>,1|O<1>,1|S<1>,2|C<4>,2|N<3>,4|C<3>}	C[5,6a](C[5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,2|N<3>,3|C<3>}	113.9880	0.000	1	113.9880	0.000	1	113.9880	0.000	1	112.3654	3.189	12	113.5946	4.770	64	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	4:3:3:3:	4:3:3:3:	4:3:3:	C[5,6]-4:C[5,6a]-3:N[5,6]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:N[5,6]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5,6a]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5]N[5]O)	C[5,6](C[5,6]C[5,6a]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5]N[5]O)	C[5,6a](C[5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,4|C<3>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6a]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,4|C<3>,4|C<4>,5|H<1>}	C[5,6a](C[5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	112.2625	2.112	6	111.9887	2.936	10	111.9887	2.936	10	112.3654	3.189	12	113.5946	4.770	64	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	4:3:3:3:	4:3:3:3:	4:3:3:	C[5,6]-4:C[5,6a]-3:N[5,6]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:N[5,6]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5,6a]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5]N[5]O)	C[5,6](C[5,6]C[5,6a]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5]N[5]O)	C[5,6a](C[5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,4|C<3>,4|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6a]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,4|C<3>,4|H<1>,5|C<4>}	C[5,6a](C[5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|N<3>,1|O<1>,3|C<3>,3|C<4>}	111.9590	1.010	2	111.9887	2.936	10	111.9887	2.936	10	112.3654	3.189	12	113.5946	4.770	64	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	4:3:3:3:	4:3:3:3:	4:3:3:	C[5,6]-4:C[5,6a]-3:N[5,6]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:N[5,6]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5,6a]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5]N[5]O)	C[5,6](C[5,6]C[5,6a]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5]N[5]O)	C[5,6a](C[5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,4|C<3>,4|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6a]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,4|C<3>,4|H<1>,5|C<4>}	C[5,6a](C[5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,3|C<3>,3|C<4>}	111.1970	1.184	2	111.9887	2.936	10	111.9887	2.936	10	112.3654	3.189	12	113.5946	4.770	64	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	4:3:4:3:	4:3:3:2:	4:3:3:	C[5,6]-4:C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[5,6]-3:O-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5,6a]C[5,6]O)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(OH)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[5,6]O)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O){1|C<4>,2|H<1>,7|C<3>}	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(OH){1|C<4>,1|N<3>,2|H<1>,2|O<1>,6|C<3>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	113.0720	0.000	1	113.0720	0.000	1	113.0720	0.000	1	113.0720	0.000	1	113.5946	4.770	64	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	4:3:4:3:	4:3:4:3:	4:3:3:	C[5,6]-4:C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]C[5a]H)(C[5]N[5]O)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]HH)(C[5]N[5]O)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]C[5a]H)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,2|O<2>,4|H<1>,6|C<3>}	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]HH)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<4>,5|C<3>}	111.7200	0.000	1	111.9130	0.352	3	112.6015	1.518	8	112.6015	1.518	8	113.5946	4.770	64	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	4:3:4:3:	4:3:4:3:	4:3:3:	C[5,6]-4:C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]C[5a]H)(C[5]N[5]O)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]HH)(C[5]N[5]O)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]C[5a]H)(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,2|O<2>,4|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]HH)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>,4|C<4>}	112.5790	0.000	1	111.9130	0.352	3	112.6015	1.518	8	112.6015	1.518	8	113.5946	4.770	64	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	4:3:4:3:	4:3:4:3:	4:3:3:	C[5,6]-4:C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]C[5a]H)(C[5]N[5]O)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]HH)(C[5]N[5]O)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]C[5a]H)(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,2|O<2>,4|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]HH)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<4>,3|H<1>,4|C<3>}	111.4400	0.000	1	111.9130	0.352	3	112.6015	1.518	8	112.6015	1.518	8	113.5946	4.770	64	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	4:3:4:3:	4:3:4:3:	4:3:3:	C[5,6]-4:C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]HH)(C[5]N[5]O)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]C[5a]H)(C[5]N[5]O)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]HH)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]C[5a]H)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,2|O<2>,4|H<1>,6|C<3>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	113.8030	0.000	1	113.6657	1.924	3	112.6015	1.518	8	112.6015	1.518	8	113.5946	4.770	64	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	4:3:4:3:	4:3:4:3:	4:3:3:	C[5,6]-4:C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]HH)(C[5]N[5]O)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]C[5a]H)(C[5]N[5]O)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]HH)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]C[5a]H)(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,2|O<2>,4|H<1>,5|C<3>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	113.5970	1.954	2	113.6657	1.924	3	112.6015	1.518	8	112.6015	1.518	8	113.5946	4.770	64	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	4:3:4:3:	4:3:4:3:	4:3:3:	C[5,6]-4:C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,4|C<3>,5|H<1>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	112.0380	0.785	2	112.0380	0.616	2	112.6015	1.518	8	112.6015	1.518	8	113.5946	4.770	64	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	4:3:4:3:	4:4:3:1:	4:3:3:	C[5,6]-4:C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]O[6]CH)(C[5]N[5]O)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5,6a]C[5]C[6])(C[5]C[5]O)(H)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]O[6]CH)(C[5]N[5]O){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5,6a]C[5]C[6])(C[5]C[5]O)(H){1|N<3>,2|O<1>,2|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	112.7205	0.258	2	112.7205	0.067	2	112.7205	0.067	2	112.7205	0.067	2	113.5946	4.770	64	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5a,6]	3:4:2:1:	4:4:4:1:	4:3:3:	C[5a,6]-3:C[5,6]-4:O[5,6]-2:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(H)	C[5,6](C[5,6]C[5a,6]O[5,6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[5a,6](C[5,6]C[5,6]O[5,6]H)(C[5a,6]O[5a]C[6])(C[5a]C[5a]H)	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5a,6]O[5,6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,4|C<3>}	C[5a,6](C[5,6]C[5,6]O[5,6]H)(C[5a,6]O[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	111.1870	0.000	1	111.1870	0.000	1	111.1870	0.000	1	111.1870	0.000	1	116.5087	15.490	4	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5a,6]	3:4:3:1:	4:3:4:3:	4:3:3:	C[5a,6]-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[5a,6]-3:N[5a]-3:	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5a,6]N[5,6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(COO)	C[5a,6](C[5,6]C[5,6]N[5,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[5,6](C[5a,6]C[5a,6]N[5a])(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[5a,6]N[5,6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(COO){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5a,6](C[5,6]C[5,6]N[5,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){2|C<4>,2|H<1>,5|C<3>}	120.6280	0.000	1	120.6280	0.000	1	120.6280	0.000	1	120.6280	0.000	1	116.5087	15.490	4	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5a,6]	3:4:3:1:	4:4:4:1:	4:3:3:	C[5a,6]-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[5a,6]-3:N[5a]-3:	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[6]H)(N[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5a,6]N[5,6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5a,6](C[5,6]C[5,6]N[5,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[5,6](C[5a,6]C[5a,6]N[5a])(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[5a,6]N[5,6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[5a,6](C[5,6]C[5,6]N[5,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){3|C<3>,3|C<4>,3|H<1>}	117.1100	0.677	2	117.1100	0.459	2	117.1100	0.459	2	117.1100	0.459	2	116.5087	15.490	4	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5a]	3:3:4:4:	4:3:4:1:	4:3:3:	C[5,6a]-3:C[5a]-3:C[5,6]-4:C[6]-4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[5a,6a]-3:C[5a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5,6]C[6]N[5]H)(C[6]N[6]HH)	C[5,6](C[5,6]C[5,6a]C[5a]C[6])(N[5]C[5,6a]H)(C[6]C[6]HH)(H)	C[5a](C[5,6]C[5,6a]C[5,6]C[6])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5,6]C[6]N[5]H)(C[6]N[6]HH){1|C<4>,1|N<3>,5|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6a]C[5a]C[6])(N[5]C[5,6a]H)(C[6]C[6]HH)(H){1|N<3>,4|C<3>,4|H<1>}	C[5a](C[5,6]C[5,6a]C[5,6]C[6])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,2|N<3>,4|C<3>,5|H<1>}	113.6180	0.000	1	113.6180	0.000	1	113.6180	0.000	1	113.6180	0.000	1	113.8042	0.739	6	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5a]	4:4:3:1:	4:4:1:1:	4:3:3:	C[5,5,6]-4:C[5,6]-4:C[5a]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5a]-3:N[5a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[5a]C[5a]N[5a])(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)(H)2	C[5a](C[5,6]C[5,5,6]C[5,6]H)(C[5a]C[5a,6a]H)(N[5a]C[5a,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[5a]C[5a]N[5a])(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[5a]H)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[5a](C[5,6]C[5,5,6]C[5,6]H)(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H){2|C<3>,3|C<4>,3|H<1>}	113.3600	0.000	1	114.2635	1.633	2	114.2635	1.633	2	114.2635	1.633	2	113.8042	0.739	6	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5a]	4:4:3:1:	4:4:1:1:	4:3:3:	C[5,5,6]-4:C[5,6]-4:C[5a]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5a]-3:N[5a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[5a]C[5a]N[5a])(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)(H)2	C[5a](C[5,6]C[5,5,6]C[5,6]H)(C[5a]C[5a,6a]H)(N[5a]C[5a,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[5a]C[5a]N[5a])(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[5a]H)(H)2{1|N<3>,2|C<3>,4|H<1>}	C[5a](C[5,6]C[5,5,6]C[5,6]H)(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	115.1670	0.000	1	114.2635	1.633	2	114.2635	1.633	2	114.2635	1.633	2	113.8042	0.739	6	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5a]	4:4:3:1:	4:4:3:1:	4:2:2:	C[5,5,6]-4:C[5,6]-4:C[5a]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:N[5a]-2:O[5a]-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[5a]N[5a]O[5a])(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)	C[5a](C[5,6]C[5,5,6]C[5,6]H)(N[5a]C[5a,6a])(O[5a]C[5a,6a])	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[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[5a](C[5,6]C[5,5,6]C[5,6]H)(N[5a]C[5a,6a])(O[5a]C[5a,6a]){2|H<1>,3|C<3>,3|C<4>}	112.6590	0.000	1	112.6590	0.000	1	112.6590	0.000	1	112.6590	0.000	1	113.8042	0.739	6	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5a]	4:4:3:2:	4:4:1:1:	4:3:2:	C[5,5,6]-4:C[5,6]-4:C[5a]-3:O-2:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:N[5a]-3:N[5a]-2:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[5a]N[5a]2)(OC)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[5a]O)(H)2	C[5a](C[5,6]C[5,5,6]C[5,6]O)(N[5a]N[5a]H)(N[5a]N[5a])	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[5a]N[5a]2)(OC){2|N<2>,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[5a]O)(H)2{1|N<2>,1|N<3>,2|H<1>,4|C<4>}	C[5a](C[5,6]C[5,5,6]C[5,6]O)(N[5a]N[5a]H)(N[5a]N[5a]){2|H<1>,4|C<4>}	114.0105	0.459	2	114.0105	0.211	2	114.0105	0.211	2	114.0105	0.211	2	113.8042	0.739	6	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5]	C[5a,6]	3:2:4:1:	4:2:1:1:	3:4:3:	C[5a,6]-3:O[5,6]-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:N[5a]-3:	C[5,6](C[5a,6]C[5a,6]N[5a])(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[5](C[5,6]C[5a,6]O[5,6]H)(O[5]C[5,6])(H)2	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5,6]O[5,6]C[5]H)(N[5a]C[5a,6]O)	C[5,6](C[5a,6]C[5a,6]N[5a])(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6]C[5a,6]O[5,6]H)(O[5]C[5,6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5,6]O[5,6]C[5]H)(N[5a]C[5a,6]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	110.1920	0.000	1	110.1920	0.000	1	110.2497	0.283	3	110.2497	0.283	3	114.6912	9.686	50	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5]	C[5a,6]	3:2:4:1:	4:2:1:1:	3:4:3:	C[5a,6]-3:O[5,6]-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:N[5a]-3:	C[5,6](C[5a,6]C[5a,6]N[5a])(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[5](C[5,6]C[5a,6]O[5,6]H)(O[5]C[5,6])(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]O[5,6]C[5]H)(N[5a]C[5a,6a]H)	C[5,6](C[5a,6]C[5a,6]N[5a])(O[5,6]C[5,6])(C[5]O[5]HH)(H){2|H<1>,3|C<3>}	C[5](C[5,6]C[5a,6]O[5,6]H)(O[5]C[5,6])(H)2{1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]O[5,6]C[5]H)(N[5a]C[5a,6a]H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|H<1>}	110.8080	0.000	1	110.2785	0.561	2	110.2497	0.283	3	110.2497	0.283	3	114.6912	9.686	50	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5]	C[5a,6]	3:2:4:1:	4:2:1:1:	3:4:3:	C[5a,6]-3:O[5,6]-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:N[5a]-3:	C[5,6](C[5a,6]C[5a,6]N[5a])(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[5](C[5,6]C[5a,6]O[5,6]H)(O[5]C[5,6])(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]O[5,6]C[5]H)(N[5a]C[5a,6a]H)	C[5,6](C[5a,6]C[5a,6]N[5a])(O[5,6]C[5,6])(C[5]O[5]HH)(H){2|H<1>,3|C<3>}	C[5](C[5,6]C[5a,6]O[5,6]H)(O[5]C[5,6])(H)2{1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]O[5,6]C[5]H)(N[5a]C[5a,6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	109.7490	0.000	1	110.2785	0.561	2	110.2497	0.283	3	110.2497	0.283	3	114.6912	9.686	50	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5]	C[5a,6]	3:2:4:1:	4:4:1:1:	4:3:3:	C[5a,6]-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[5a,6]-3:C[5a]-3:	C[5,6](C[5a,6]C[5a,6]C[5a])(O[5,6]C[5,6])(C[5]C[5]HH)(H)	C[5](C[5,6]C[5a,6]O[5,6]H)(C[5]C[5,6]C[6a]H)(H)2	C[5a,6](C[5,6]O[5,6]C[5]H)(C[5a,6]O[5a]C[6])(C[5a]C[5a]H)	C[5,6](C[5a,6]C[5a,6]C[5a])(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[5a,6]O[5,6]H)(C[5]C[5,6]C[6a]H)(H)2{1|C<4>,5|C<3>}	C[5a,6](C[5,6]O[5,6]C[5]H)(C[5a,6]O[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	110.6070	0.000	1	110.6070	0.000	1	110.6070	0.000	1	110.6070	0.000	1	114.6912	9.686	50	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5]	C[5a,6]	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[5a,6]-3:C[5a]-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[5a,6](C[5,6]N[5,6]C[6a]C[5])(C[5a,6]S[5a]C[6])(C[5a]C[5a]H)	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[5a,6](C[5,6]N[5,6]C[6a]C[5])(C[5a,6]S[5a]C[6])(C[5a]C[5a]H){2|C<4>,3|C<3>,5|H<1>}	114.9470	0.000	1	114.9470	0.000	1	114.9470	0.000	1	114.9470	0.000	1	114.6912	9.686	50	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5]	C[5a,6]	3:3:4:1:	4:4:1:1:	3:4:3:	C[5a,6]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5a,6]-3:C[5,6]-4:C[5a]-3:	C[5,6](C[5a,6]C[5a,6]C[5a])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)	C[5](C[5,6]C[5a,6]N[5,6]H)(C[5]C[5]HH)(H)2	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5,6]N[5,6]C[5]H)(C[5a]C[5a]H)	C[5,6](C[5a,6]C[5a,6]C[5a])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5a,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|O<1>,3|C<3>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5,6]N[5,6]C[5]H)(C[5a]C[5a]H){2|C<4>,3|C<3>,3|H<1>}	115.8390	0.000	1	115.8390	0.000	1	115.8390	0.000	1	117.4829	1.370	13	114.6912	9.686	50	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5]	C[5a,6]	3:3:4:1:	4:4:1:1:	3:4:3:	C[5a,6]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[5](C[5,6]C[5a,6]N[5,6]H)(C[5]C[5]HH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]H)(N[5a]C[5a,6a]H)	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5](C[5,6]C[5a,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]H)(N[5a]C[5a,6a]H){2|C<4>,3|C<3>,4|H<1>}	117.8765	0.695	11	117.8765	0.482	11	117.8765	0.482	11	117.4829	1.370	13	114.6912	9.686	50	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5]	C[5a,6]	3:3:4:1:	4:4:1:1:	3:4:3:	C[5a,6]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5a,6]-3:C[5,6]-4:C[5a]-3:	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)	C[5](C[5,6]C[5a,6]N[5,6]H)(C[5]C[5]HH)(H)2	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5,6]N[5,6]C[5]H)(C[5a]C[5a]H)	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H){1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5a,6]N[5,6]H)(C[5]C[5]HH)(H)2{1|N<3>,1|O<1>,2|C<3>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5,6]N[5,6]C[5]H)(C[5a]C[5a]H){1|C<4>,3|C<3>,4|H<1>}	114.7980	0.000	1	114.7980	0.000	1	114.7980	0.000	1	117.4829	1.370	13	114.6912	9.686	50	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5]	C[5a,6]	3:3:4:1:	4:4:4:2:	3:4:3:	C[5a,6]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]CO)(H)	C[5](C[5,6]C[5a,6]N[5,6]H)(C[5]C[5]HH)(CCHO)(OH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]H)(N[5a]C[5a,6a]H)	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]CO)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5](C[5,6]C[5a,6]N[5,6]H)(C[5]C[5]HH)(CCHO)(OH){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]H)(N[5a]C[5a,6a]H){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	118.5200	1.106	3	118.5200	1.223	3	118.5200	1.223	3	118.5200	1.223	3	114.6912	9.686	50	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5]	C[5a,6]	3:3:4:3:	4:4:1:1:	3:4:3:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-3:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(COO)	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]CH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H)	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(COO){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H){2|C<4>,3|C<3>,4|H<1>}	117.4440	0.000	1	117.4440	0.000	1	117.4440	0.000	1	117.4440	0.000	1	114.6912	9.686	50	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5]	C[5a,6]	3:3:4:3:	4:4:2:1:	3:4:3:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]HO)(CCH)	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]HH)(OC)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H)	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]HO)(CCH){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]HH)(OC)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	115.5320	0.000	1	115.5320	0.000	1	115.5320	0.000	1	115.5320	0.000	1	114.6912	9.686	50	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5]	C[5a,6]	3:3:4:4:	4:3:4:1:	3:4:3:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(CH3)	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]C)(CCHH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H)	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(CH3){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]C)(CCHH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H){2|C<4>,3|H<1>,4|C<3>}	113.5250	0.000	1	115.9635	11.893	2	113.9987	17.528	3	113.9987	17.528	3	114.6912	9.686	50	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5]	C[5a,6]	3:3:4:4:	4:3:4:1:	3:4:3:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(CH3)	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]C)(CCHH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H)	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(CH3){1|C<4>,3|C<3>,5|H<1>}	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]C)(CCHH)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H){3|C<3>,3|C<4>,3|H<1>}	118.4020	0.000	1	115.9635	11.893	2	113.9987	17.528	3	113.9987	17.528	3	114.6912	9.686	50	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5]	C[5a,6]	3:3:4:4:	4:3:4:1:	3:4:3:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(CHHO)	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]C)(CCHH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H)	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(CHHO){1|C<4>,3|C<3>,5|H<1>}	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]C)(CCHH)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H){3|C<3>,3|C<4>,3|H<1>}	110.0690	0.000	1	110.0690	0.000	1	113.9987	17.528	3	113.9987	17.528	3	114.6912	9.686	50	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5]	C[5a,6]	3:3:4:4:	4:4:1:1:	3:4:3:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(CCHH)	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]HH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H)	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(CCHH){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H){2|C<4>,3|C<3>,4|H<1>}	112.7000	0.000	1	112.7000	0.000	1	113.5286	1.079	5	114.0686	1.230	8	114.6912	9.686	50	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5]	C[5a,6]	3:3:4:4:	4:4:1:1:	3:4:3:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(CH3)	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]HH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H)	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(CH3){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H){2|C<4>,3|C<3>,4|H<1>}	114.6545	0.021	2	114.6545	0.000	2	113.5286	1.079	5	114.0686	1.230	8	114.6912	9.686	50	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5]	C[5a,6]	3:3:4:4:	4:4:1:1:	3:4:3:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[6]S[5])(C[5]C[5]HH)(CH3)	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]S[5]HH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]C)	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[6]S[5])(C[5]C[5]HH)(CH3){2|C<3>,2|C<4>,2|O<1>,4|H<1>}	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]S[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|O<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]C){1|S<4>,2|C<3>,2|C<4>,4|H<1>}	112.8170	0.286	2	112.8170	0.082	2	113.5286	1.079	5	114.0686	1.230	8	114.6912	9.686	50	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5]	C[5a,6]	3:3:4:4:	4:4:1:1:	3:4:3:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5a,6]-3:C[5,6]-4:C[5a]-3:	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(CH3)	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]HH)(H)2	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(C[5,6]N[5,6]C[5]C)(C[5a]C[5a,6a]H)	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(CH3){4|C<3>,5|H<1>}	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(C[5,6]N[5,6]C[5]C)(C[5a]C[5a,6a]H){2|C<4>,2|H<1>,4|C<3>}	114.8900	0.604	2	114.8900	0.365	2	114.9687	0.201	3	114.0686	1.230	8	114.6912	9.686	50	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5]	C[5a,6]	3:3:4:4:	4:4:1:1:	3:4:3:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5a,6]-3:C[5,6]-4:C[5a]-3:	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(CH3)	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]HH)(H)2	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5,6]N[5,6]C[5]C)(C[5a]C[5a]H)	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(CH3){4|C<3>,5|H<1>}	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5,6]N[5,6]C[5]C)(C[5a]C[5a]H){2|C<3>,2|C<4>,4|H<1>}	115.1260	0.000	1	115.1260	0.000	1	114.9687	0.201	3	114.0686	1.230	8	114.6912	9.686	50	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5]	C[5a,6]	3:3:4:4:	4:4:2:2:	3:4:3:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-4:	C[5,6]-4:C[3]-4:O[5]-2:O-2:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[3]O[5]O)(CH3)	C[5](C[5,6]C[5a,6]N[5,6]C)(C[3]C[3]O[3]C)(O[5]C[5])(OSi)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H)	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[3]O[5]O)(CH3){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5a,6]N[5,6]C)(C[3]C[3]O[3]C)(O[5]C[5])(OSi){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	113.9100	0.000	1	113.9100	0.000	1	113.9100	0.000	1	113.9100	0.000	1	114.6912	9.686	50	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5]	C[5a,6]	3:3:4:4:	4:4:4:1:	3:4:3:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(CH3)	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]HH)(CCHH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H)	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(CH3){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]HH)(CCHH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H){3|C<3>,3|C<4>,3|H<1>}	114.1580	0.000	1	114.1580	0.000	1	114.7890	0.796	2	114.7890	0.796	2	114.6912	9.686	50	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5]	C[5a,6]	3:3:4:4:	4:4:4:1:	3:4:3:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(CH3)	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]HH)(CH3)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H)	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(CH3){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H){3|C<3>,3|C<4>,3|H<1>}	115.4200	0.000	1	115.4200	0.000	1	114.7890	0.796	2	114.7890	0.796	2	114.6912	9.686	50	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5]	C[5a,6]	3:4:2:4:	4:3:1:1:	3:4:3:	C[5a,6]-3:C[5]-4:O[5]-2:C[6]-4:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5a,6a]-3:C[5,6]-4:C[5a,6]-3:	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]HH)	C[5](C[5,6]C[5a,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[5]C[6]O[5])(C[5a,6]N[5a]S[6])	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]HH){1|N<3>,1|S<2>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5a,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(H)2{1|C<4>,3|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[5]C[6]O[5])(C[5a,6]N[5a]S[6]){2|C<4>,4|C<3>,5|H<1>}	115.5860	0.000	1	115.5860	0.000	1	115.5860	0.000	1	115.5860	0.000	1	114.6912	9.686	50	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5]	C[5a,6]	3:4:4:1:	4:2:3:2:	4:3:3:	C[5a,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:O[5]-2:C-3:O-2:	C[5,6]-4:N[5a,6]-3:C[5a]-3:	C[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]N[5a]H)(C[5]O[5]CO)(H)	C[5](C[5,6]C[5a,6]C[5,6]H)(O[5]C[5,6])(CCH)(OH)	C[5a,6](C[5,6]C[5,6]C[5]H)(N[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]N[5a]H)(C[5]O[5]CO)(H){1|C<4>,1|H<1>,5|C<3>}	C[5](C[5,6]C[5a,6]C[5,6]H)(O[5]C[5,6])(CCH)(OH){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5a,6](C[5,6]C[5,6]C[5]H)(N[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|N<3>,2|O<2>,3|C<4>,3|H<1>}	110.2620	0.000	1	110.2620	0.000	1	110.2620	0.000	1	110.2620	0.000	1	114.6912	9.686	50	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5]	C[5a,6]	3:4:4:1:	4:2:4:3:	4:3:3:	C[5a,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:O[5]-2:C-4:C-3:	C[5,6]-4:N[5a,6]-3:C[5a]-3:	C[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]N[5a]H)(C[5]O[5]CC)(H)	C[5](C[5,6]C[5a,6]C[5,6]H)(O[5]C[5,6])(CCHO)(CCH)	C[5a,6](C[5,6]C[5,6]C[5]H)(N[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]N[5a]H)(C[5]O[5]CC)(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5a,6]C[5,6]H)(O[5]C[5,6])(CCHO)(CCH){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C[5a,6](C[5,6]C[5,6]C[5]H)(N[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,5|C<4>}	111.0800	0.000	1	111.0800	0.000	1	111.0800	0.000	1	111.0800	0.000	1	114.6912	9.686	50	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5]	C[5a,6]	3:4:4:1:	4:3:4:1:	4:3:3:	C[5a,6]-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[5a,6]-3:C[5a]-3:	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]H)(C[5]C[5]CH)(H)	C[5](C[5,6]C[5a,6]C[5,6]H)(C[5]O[5]O)(CH3)(H)	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(C[5a]C[5a]H)	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]H)(C[5]C[5]CH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5](C[5,6]C[5a,6]C[5,6]H)(C[5]O[5]O)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	116.2750	0.000	1	115.7455	0.561	2	115.7455	0.561	2	115.7455	0.561	2	114.6912	9.686	50	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5]	C[5a,6]	3:4:4:1:	4:3:4:1:	4:3:3:	C[5a,6]-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[5a,6]-3:C[5a]-3:	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]H)(C[5]C[5]CH)(H)	C[5](C[5,6]C[5a,6]C[5,6]H)(C[5]O[5]O)(CH3)(H)	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(C[5a]C[5a]H)	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]H)(C[5]C[5]CH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5a,6]C[5,6]H)(C[5]O[5]O)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	115.2160	0.000	1	115.7455	0.561	2	115.7455	0.561	2	115.7455	0.561	2	114.6912	9.686	50	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5]	C[5a,6]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5a,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[5,6]-4:	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5a,6]C[5,6]H)(C[5]C[5]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[5,6]C[5,6]C[5]H)	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[5](C[5,6]C[5a,6]C[5,6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[5,6]C[5,6]C[5]H){4|C<3>,4|C<4>,4|H<1>}	115.4270	0.000	1	115.4270	0.000	1	115.4270	0.000	1	115.4270	0.000	1	114.6912	9.686	50	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5]	C[5a,6]	3:4:4:1:	4:4:1:1:	3:4:3:	C[5a,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[5,6]-4:C[5a,6]-3:	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5a,6]C[5,6]H)(C[5]N[5]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5a,6]C[5,6]H)(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6]){1|N<3>,2|C<3>,2|C<4>,7|H<1>}	110.8850	0.000	1	110.8850	0.000	1	110.8850	0.000	1	110.8850	0.000	1	114.6912	9.686	50	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5]	C[5a,6]	3:4:4:1:	4:4:1:1:	4:3:3:	C[5a,6]-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[5a,6]-3:C[5a]-3:	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]CO)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5a,6]C[5,6]H)(C[5]C[5,6]C[6a]H)(H)2	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(C[5a]C[5a]H)	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]CO)(C[5]C[5]HH)(H){1|C<4>,1|N<3>,2|C<3>,3|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[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|O<1>,1|O<2>,1|S<4>,3|C<4>,3|H<1>}	108.4190	0.000	1	108.4190	0.000	1	108.4190	0.000	1	108.4190	0.000	1	114.6912	9.686	50	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5]	C[5a,6]	3:4:4:3:	4:4:3:1:	4:3:2:	C[5a,6]-3:C[5,6]-4:C[5]-4:C[5]-3:	C[5,6]-4:C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5a,6]-3:N[5a]-2:	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]C[5]2H)(C[5]N[5]O)	C[5](C[5,6]C[5a,6]C[5,6]C[5])(C[5]C[5]HH)(C[5]N[5]O)(H)	C[5a,6](C[5,6]C[5,6]C[5]2)(C[5a,6]N[5a]C[6])(N[5a]C[5a])	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]C[5]2H)(C[5]N[5]O){2|C<4>,2|N<3>,2|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5a,6]C[5,6]C[5])(C[5]C[5]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|O<1>,3|C<3>}	C[5a,6](C[5,6]C[5,6]C[5]2)(C[5a,6]N[5a]C[6])(N[5a]C[5a]){1|N<3>,1|O<1>,2|C<3>,3|C<4>,5|H<1>}	110.7110	0.000	1	110.7110	0.000	1	110.7110	0.000	1	110.7110	0.000	1	114.6912	9.686	50	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5]	C[5a,6]	3:4:4:4:	4:4:1:1:	4:3:2:	C[5a,6]-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:N[5a,6]-3:N[5a]-2:	C[5,6](C[5a,6]N[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	C[5](C[5,6]C[5a,6]C[5,6]C)(C[5]C[5]HH)(H)2	C[5a,6](C[5,6]C[5,6]C[5]C)(N[5a,6]C[5a]C[6])(N[5a]C[5a])	C[5,6](C[5a,6]N[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){1|C<4>,2|C<3>,6|H<1>}	C[5](C[5,6]C[5a,6]C[5,6]C)(C[5]C[5]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[5a,6](C[5,6]C[5,6]C[5]C)(N[5a,6]C[5a]C[6])(N[5a]C[5a]){2|C<3>,3|C<4>,5|H<1>}	109.7910	0.423	2	109.7910	0.179	2	109.7910	0.179	2	109.7910	0.179	2	114.6912	9.686	50	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5]	C[5a,6]	4:3:4:1:	4:2:1:1:	4:3:3:	C[5,6]-4:C[5a,6]-3:C[5]-4:H-1:	C[5,6]-4:S[5]-2:H-1:H-1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	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[5](C[5,6]C[5a,6]C[5,6]H)(S[5]C[5])(H)2	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]O[5a]C[6])(C[5a]C[5a]H)	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[5](C[5,6]C[5a,6]C[5,6]H)(S[5]C[5])(H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]O[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|C<4>,1|O<2>,1|S<2>,5|H<1>}	112.3100	0.000	1	112.3100	0.000	1	112.3100	0.000	1	112.3100	0.000	1	114.6912	9.686	50	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5,6]	C[5]	C[5a,6]	4:3:4:1:	4:3:1:1:	3:3:4:	C[5,6]-4:C[5a,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[5,6]-4:	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[5](C[5,6]C[5a,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)2	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(C[5a]C[5a,6a]C[6a])(C[5,6]C[5,6]C[5]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){7|C<3>}	C[5](C[5,6]C[5a,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(C[5a]C[5a,6a]C[6a])(C[5,6]C[5,6]C[5]H){3|H<1>,8|C<3>}	118.6550	0.000	1	118.6550	0.000	1	118.6550	0.000	1	118.6550	0.000	1	114.6912	9.686	50	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[3x5,6]	C[5a]	4:3:3:1:	4:4:2:3:	4:3:3:	C[3x5,6]-4:C[5a]-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[5a]-3:N[5a]-3:	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[5a]C[5a]N[5a])(N[5]C[5]C)(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5]C[5a]N[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)	C[5a](C[5]C[3x5,6]N[5]H)(C[5a]C[5a]H)(N[5a]C[5a]C)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[5a]C[5a]N[5a])(N[5]C[5]C)(H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5]C[5a]N[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5a](C[5]C[3x5,6]N[5]H)(C[5a]C[5a]H)(N[5a]C[5a]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	114.9450	0.000	1	114.9450	0.000	1	114.9450	0.000	1	115.6285	0.934	2	115.6285	0.934	2	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[3x5,6]	C[5a]	4:3:3:1:	4:4:2:3:	4:3:3:	C[3x5,6]-4:C[5a]-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:N[5a]-3:C[5a]-3:	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[5a]C[5a]N[5a])(N[5]C[5]C)(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5]C[5a]N[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)	C[5a](C[5]C[3x5,6]N[5]H)(N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[5a]C[5a]N[5a])(N[5]C[5]C)(H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5]C[5a]N[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5a](C[5]C[3x5,6]N[5]H)(N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	116.3120	0.000	1	116.3120	0.000	1	116.3120	0.000	1	115.6285	0.934	2	115.6285	0.934	2	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[3x5]	C[5a]	4:4:3:1:	3:4:4:4:	4:3:3:	C[3x5]-4:C[5,6]-4:C[5a]-3:H-1:	C[5,6a]-3:C[3x5]-4:C[5]-4:C[5]-4:	C[5]-4:C[5a]-3:N[5a]-3:	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H)	C[3x5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,6]N[5]2)(C[5]C[5,6]C[5a]H)(C[5]C[5]HH)	C[5a](C[5]C[3x5]C[5,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H){2|N<3>,4|H<1>,5|C<3>,5|C<4>}	C[3x5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,6]N[5]2)(C[5]C[5,6]C[5a]H)(C[5]C[5]HH){1|C<4>,1|N<3>,5|C<3>,6|H<1>}	C[5a](C[5]C[3x5]C[5,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|H<1>,3|C<3>,4|C<4>}	116.5010	1.512	2	116.5010	2.286	2	116.5707	1.157	3	116.5707	1.157	3	116.5744	0.698	5	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[3x5]	C[5a]	4:4:3:1:	3:4:4:4:	4:3:3:	C[3x5]-4:C[5,6]-4:C[5a]-3:H-1:	C[5,6a]-3:C[3x5]-4:C[5]-4:C[5]-4:	C[5]-4:C[5a]-3:N[5a]-3:	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H)	C[3x5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,6]N[5]2)(C[5]C[5,6]C[5a]H)(C[5]C[5]HH)	C[5a](C[5]C[3x5]C[5,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H){1|S<4>,2|N<3>,3|H<1>,5|C<3>,5|C<4>}	C[3x5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,6]N[5]2)(C[5]C[5,6]C[5a]H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|S<4>,5|C<3>,5|H<1>}	C[5a](C[5]C[3x5]C[5,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S){1|H<1>,3|C<3>,4|C<4>}	116.7100	0.000	1	116.7100	0.000	1	116.5707	1.157	3	116.5707	1.157	3	116.5744	0.698	5	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[3x5]	C[5a]	4:4:3:1:	4:3:4:4:	4:3:3:	C[3x5]-4:C[5,6]-4:C[5a]-3:H-1:	C[3x5]-4:C[5,6a]-3:C[5]-4:C[5]-4:	C[5]-4:C[5a]-3:N[5a]-3:	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H)	C[3x5](C[3x5]C[5,6]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5a]H)(C[5]C[5]HH)	C[5a](C[5]C[3x5]C[5,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H){1|N<3>,1|O<2>,1|S<4>,3|H<1>,4|C<4>,6|C<3>}	C[3x5](C[3x5]C[5,6]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5a]H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,1|S<4>,3|H<1>,4|C<3>}	C[5a](C[5]C[3x5]C[5,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S){1|H<1>,3|C<3>,4|C<4>}	116.0920	0.000	1	116.5800	0.476	2	116.5800	0.476	2	116.5800	0.476	2	116.5744	0.698	5	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[3x5]	C[5a]	4:4:3:1:	4:3:4:4:	4:3:3:	C[3x5]-4:C[5,6]-4:C[5a]-3:H-1:	C[3x5]-4:C[5,6a]-3:C[5]-4:C[5]-4:	C[5]-4:C[5a]-3:N[5a]-3:	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H)	C[3x5](C[3x5]C[5,6]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5a]H)(C[5]C[5]HH)	C[5a](C[5]C[3x5]C[5,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H){1|N<3>,1|O<2>,1|S<4>,3|H<1>,5|C<3>,5|C<4>}	C[3x5](C[3x5]C[5,6]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5a]H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|S<4>,4|C<3>,5|H<1>}	C[5a](C[5]C[3x5]C[5,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S){1|H<1>,3|C<3>,4|C<4>}	117.0680	0.000	1	116.5800	0.476	2	116.5800	0.476	2	116.5800	0.476	2	116.5744	0.698	5	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:3:1:	4:4:4:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5,6]2H)(C[5]N[5]O)(H)	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[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5,6]2H)(C[5]N[5]O)(H){1|C<2>,1|H<1>,1|O<2>,3|C<4>,4|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[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H){1|C<3>,1|F<1>,1|O<1>,2|H<1>,3|C<4>}	122.8670	0.000	1	122.8670	0.000	1	122.8670	0.000	1	122.8670	0.000	1	115.2510	14.824	6	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:3:1:	3:4:4:4:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5,5]N[5]O[5]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|C<4>,1|N<3>,1|O<2>,1|S<4>,4|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5,5]N[5]O[5]H)(C[5]C[5]HH){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	113.6370	0.000	1	113.6370	0.000	1	113.6370	0.000	1	113.6370	0.000	1	115.2510	14.824	6	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:3:1:	4:4:4:2:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[5,6a]-3:H-1:	C[3x5]-4:C[5]-4:C[5]-4:O[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,5]C[3x5]C[5]O[5])(C[5,6a]C[5,6a]C[6a])2(H)	C[5,5](C[3x5]C[5,5]N[5,5]H)(C[5]C[5,6a]2H)(C[5]C[5]HH)(O[5]C[5])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)	C[5](C[5,5]C[3x5]C[5]O[5])(C[5,6a]C[5,6a]C[6a])2(H){1|N<3>,2|C<4>,5|C<3>,5|H<1>}	C[5,5](C[3x5]C[5,5]N[5,5]H)(C[5]C[5,6a]2H)(C[5]C[5]HH)(O[5]C[5]){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	114.3815	0.759	2	114.3815	0.576	2	114.3815	0.576	2	114.3815	0.576	2	115.2510	14.824	6	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:3:3:	3:4:4:4:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[5]-3:N-3:	C[5,6a]-3:C[5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NCH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]N)(C[5,5]N[5]O[5]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]C[5]N)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NCH){1|N<3>,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]C[5,6a]C[5]N)(C[5,5]N[5]O[5]H)(C[5]C[5]HH){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]C[5]N)(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,2|C<3>,3|C<4>}	112.0390	0.000	1	112.0390	0.000	1	112.0390	0.000	1	112.0390	0.000	1	115.2510	14.824	6	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:3:4:	3:4:4:4:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5,5]N[5]2H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]C[5]C)(C[6a]C[6a]Br)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH){1|Br<1>,1|N<2>,1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5,5]N[5]2H)(C[5]C[5]HH){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]C[5]C)(C[6a]C[6a]Br){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	114.2000	0.000	1	114.2000	0.000	1	114.2000	0.000	1	114.2000	0.000	1	115.2510	14.824	6	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5,5]	C[5a]	3:4:3:1:	4:2:4:3:	4:3:2:	C[5,6a]-3:C[5,5]-4:C[5a]-3:H-1:	C[5]-4:O[5]-2:C[5]-4:N[5]-3:	C[5]-4:C[5a]-3:S[5a]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(C[5a]C[5a]S[5a])(H)	C[5,5](C[5]C[5,6a]C[5a]H)(O[5]C[5,6a])(C[5]O[5]HH)(N[5]C[5]S)	C[5a](C[5]C[5,6a]C[5,5]H)(C[5a]C[5a]H)(S[5a]C[5a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(C[5a]C[5a]S[5a])(H){1|O<2>,1|S<4>,4|H<1>,5|C<3>}	C[5,5](C[5]C[5,6a]C[5a]H)(O[5]C[5,6a])(C[5]O[5]HH)(N[5]C[5]S){1|O<1>,1|S<2>,3|C<3>}	C[5a](C[5]C[5,6a]C[5,5]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	112.4450	0.000	1	112.4450	0.000	1	112.4450	0.000	1	112.4450	0.000	1	115.2282	8.932	41	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5,5]	C[5a]	3:4:3:3:	4:4:2:1:	3:4:3:	C[5a]-3:C[5,5]-4:N[5]-3:C-3:	C[3x5]-4:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](C[5a]C[5a,6a]C[5a])(C[5,5]C[3x5]O[5]H)(N[5]C[5]H)(CC[6a]O)	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]C[5a]N[5]C)(O[5]C[5])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5]N[5]C)(C[5a]N[5a]H)	C[5](C[5a]C[5a,6a]C[5a])(C[5,5]C[3x5]O[5]H)(N[5]C[5]H)(CC[6a]O){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]C[5a]N[5]C)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5]N[5]C)(C[5a]N[5a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	111.1520	0.000	2	111.1520	0.000	2	111.1520	0.000	2	111.1520	0.000	2	115.2282	8.932	41	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5,5]	C[5a]	4:3:3:1:	3:4:4:3:	4:3:2:	C[5,5]-4:C[5a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5a]-3:S[5a]-2:	C[5](C[5,5]C[5,6a]C[5]2)(C[5a]C[5a]S[5a])(N[5]C[6a]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]H)(C[5]C[5]HH)(C[5]N[5]O)	C[5a](C[5]C[5,5]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a])	C[5](C[5,5]C[5,6a]C[5]2)(C[5a]C[5a]S[5a])(N[5]C[6a]C[5])(H){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]C[5a]N[5]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|S<2>,2|H<1>,5|C<3>}	C[5a](C[5]C[5,5]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	113.8500	0.000	1	113.8500	0.000	1	113.8500	0.000	1	113.8500	0.000	1	115.2282	8.932	41	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5,5]	C[5a]	4:3:3:1:	4:4:3:1:	4:3:2:	C[5,5]-4:C[5a]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5](C[5,5]C[5,5]C[5]H)(C[5a]C[5a]S[5a])(N[5]O[5]C)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5a]N[5]H)(C[5]N[5]O)(H)	C[5a](C[5]C[5,5]N[5]H)(C[5a]C[5a]C)(S[5a]C[5a])	C[5](C[5,5]C[5,5]C[5]H)(C[5a]C[5a]S[5a])(N[5]O[5]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5a]N[5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,1|S<2>,2|C<4>}	C[5a](C[5]C[5,5]N[5]H)(C[5a]C[5a]C)(S[5a]C[5a]){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	116.2600	0.000	1	116.2600	0.000	1	116.1003	4.804	3	115.8960	5.490	6	115.2282	8.932	41	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5,5]	C[5a]	4:3:3:1:	4:4:3:1:	4:3:2:	C[5,5]-4:C[5a]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5](C[5,5]C[5,5]C[5]H)(C[5a]C[5a]S[5a])(N[5]O[5]C)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5a]N[5]H)(C[5]N[5]O)(H)	C[5a](C[5]C[5,5]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a])	C[5](C[5,5]C[5,5]C[5]H)(C[5a]C[5a]S[5a])(N[5]O[5]C)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5a]N[5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,1|S<2>,2|C<4>}	C[5a](C[5]C[5,5]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	118.2080	0.000	1	116.0205	9.570	2	116.1003	4.804	3	115.8960	5.490	6	115.2282	8.932	41	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5,5]	C[5a]	4:3:3:1:	4:4:3:1:	4:3:2:	C[5,5]-4:C[5a]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5](C[5,5]C[5,5]C[5]H)(C[5a]C[5a]S[5a])(N[5]O[5]C)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5a]N[5]H)(C[5]N[5]O)(H)	C[5a](C[5]C[5,5]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a])	C[5](C[5,5]C[5,5]C[5]H)(C[5a]C[5a]S[5a])(N[5]O[5]C)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5a]N[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,1|S<2>,2|C<3>}	C[5a](C[5]C[5,5]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	113.8330	0.000	1	116.0205	9.570	2	116.1003	4.804	3	115.8960	5.490	6	115.2282	8.932	41	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5,5]	C[5a]	4:3:3:1:	4:4:3:1:	4:3:2:	C[5,5]-4:N[5,5]-3:C[5a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5a]-3:O[5a]-2:	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[5a]C[5a]O[5a])(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[5a]H)(C[5]N[5]O)(H)	C[5a](C[5]C[5,5]N[5,5]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[5a]C[5a]O[5a])(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[5a]H)(C[5]N[5]O)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[5a](C[5]C[5,5]N[5,5]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,3|C<4>,3|H<1>}	114.0505	1.196	2	114.0505	1.430	2	114.0505	1.430	2	115.8960	5.490	6	115.2282	8.932	41	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5,5]	C[5a]	4:3:3:1:	4:4:3:1:	4:3:2:	C[5,5]-4:N[5,5]-3:C[5a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[5a]C[5a]S[5a])(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[5a]H)(C[5]N[5]O)(H)	C[5a](C[5]C[5,5]N[5,5]H)(C[5a]C[5a]H)(S[5a]C[5a])	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[5a]C[5a]S[5a])(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[5a]H)(C[5]N[5]O)(H){1|O<1>,1|S<2>,2|C<3>,3|C<4>}	C[5a](C[5]C[5,5]N[5,5]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,3|C<4>,3|H<1>}	118.9740	0.000	1	118.9740	0.000	1	118.9740	0.000	1	115.8960	5.490	6	115.2282	8.932	41	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5,5]	C[5a]	4:3:3:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[5a]-3:N[5]-3:H-1:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[5a]C[5a]2)(N[5]C[5]C)(H)	C[5,5](C[5]C[5a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5a](C[5]C[5,5]N[5]H)(C[5a]C[6a]N[5a])(C[5a]N[5a]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5a]C[5a]2)(N[5]C[5]C)(H){1|N<2>,1|O<1>,2|N<3>,3|C<3>,3|H<1>}	C[5,5](C[5]C[5a]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[5a](C[5]C[5,5]N[5]H)(C[5a]C[6a]N[5a])(C[5a]N[5a]H){1|H<1>,3|C<4>,4|C<3>}	114.8135	2.362	2	114.8135	5.581	2	115.8220	5.480	4	116.3333	10.190	7	115.2282	8.932	41	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5,5]	C[5a]	4:3:3:1:	4:4:3:1:	4:3:3:	C[5,5]-4:C[5a]-3:N[5]-3:H-1:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[5a]C[5a]2)(N[5]C[5]H)(H)	C[5,5](C[5]C[5a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5a](C[5]C[5,5]N[5]H)(C[5a]N[5a]C)(C[5a]N[5a]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5a]C[5a]2)(N[5]C[5]H)(H){1|N<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[5,5](C[5]C[5a]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[5a](C[5]C[5,5]N[5]H)(C[5a]N[5a]C)(C[5a]N[5a]H){2|C<3>,2|C<4>,2|H<1>}	116.8305	2.606	2	116.8305	6.790	2	115.8220	5.480	4	116.3333	10.190	7	115.2282	8.932	41	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5,5]	C[5a]	4:3:3:1:	4:4:3:1:	4:3:3:	C[5,5]-4:N[5,5]-3:C[5a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[5a]C[5a]2)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[5a]H)(C[5]N[5]O)(H)	C[5a](C[5]C[5,5]N[5,5]H)(C[5a]C[6a]N[5a])(C[5a]N[5a]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[5a]C[5a]2)(H){1|N<2>,1|O<1>,2|C<4>,2|N<3>,3|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[5a]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,4|C<3>}	C[5a](C[5]C[5,5]N[5,5]H)(C[5a]C[6a]N[5a])(C[5a]N[5a]H){1|H<1>,3|C<4>,4|C<3>}	119.3815	2.942	2	119.3815	8.657	2	119.3815	8.657	2	116.3333	10.190	7	115.2282	8.932	41	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5,5]	C[5a]	4:3:3:1:	4:4:3:1:	4:3:3:	C[5,5]-4:N[5]-3:C[5a]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]O[5])(C[5a]C[5a]2)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5a]N[5]H)(C[5]N[5]O)(H)	C[5a](C[5]C[5,5]N[5]H)(C[5a]C[6a]N[5a])(C[5a]N[5a]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]O[5])(C[5a]C[5a]2)(H){1|N<2>,1|O<1>,2|H<1>,2|N<3>,4|C<3>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5a]N[5]H)(C[5]N[5]O)(H){1|O<1>,4|C<3>}	C[5a](C[5]C[5,5]N[5]H)(C[5a]C[6a]N[5a])(C[5a]N[5a]H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	112.2820	0.000	1	112.2820	0.000	1	112.2820	0.000	1	116.3333	10.190	7	115.2282	8.932	41	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5,5]	C[5a]	4:3:3:1:	4:4:3:4:	4:3:2:	C[5,5]-4:C[5a]-3:N[5]-3:H-1:	C[3,5,5]-4:C[5]-4:C[5]-3:C-4:	C[5]-4:C[5a]-3:O[5a]-2:	C[5](C[5,5]C[3,5,5]C[5]C)(C[5a]C[5a]O[5a])(N[5]P[3,5]C)(H)	C[5,5](C[3,5,5]C[3,5]P[3,5]C)(C[5]C[5a]N[5]H)(C[5]C[5]C)(CH3)	C[5a](C[5]C[5,5]N[5]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[5](C[5,5]C[3,5,5]C[5]C)(C[5a]C[5a]O[5a])(N[5]P[3,5]C)(H){1|H<1>,1|W<6>,3|C<3>,3|C<4>}	C[5,5](C[3,5,5]C[3,5]P[3,5]C)(C[5]C[5a]N[5]H)(C[5]C[5]C)(CH3){1|C<3>,1|O<2>,1|W<6>,3|C<4>}	C[5a](C[5]C[5,5]N[5]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|P<4>,2|H<1>,3|C<4>}	114.5550	0.000	1	114.5550	0.000	1	114.5550	0.000	1	114.5550	0.000	1	115.2282	8.932	41	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5,5]	C[5a]	4:3:3:1:	4:4:4:1:	4:3:2:	C[5,5]-4:C[5a]-3:N[5]-3:H-1:	C[5]-4:C[5,5]-4:S[5]-4:H-1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5](C[5,5]C[5,5]S[5]H)(C[5a]C[5a]S[5a])(N[5]C[5]H)(H)	C[5,5](C[5]C[5a]N[5]H)(C[5,5]C[5]2H)(S[5]O[5]OO)(H)	C[5a](C[5]C[5,5]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a])	C[5](C[5,5]C[5,5]S[5]H)(C[5a]C[5a]S[5a])(N[5]C[5]H)(H){1|C<4>,1|O<2>,2|O<1>,3|C<3>,3|H<1>}	C[5,5](C[5]C[5a]N[5]H)(C[5,5]C[5]2H)(S[5]O[5]OO)(H){1|S<2>,2|C<3>,4|H<1>}	C[5a](C[5]C[5,5]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|S<4>,2|C<4>,4|H<1>}	109.7170	0.000	1	109.7170	0.000	1	109.7170	0.000	1	109.7170	0.000	1	115.2282	8.932	41	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5,5]	C[5a]	4:3:4:1:	3:3:4:3:	3:4:3:	C[5,5]-4:C[5a]-3:C[5]-4:H-1:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5a]C[5a,6a]C[5a])(C[5]C[5,5]HN)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5,6])(C[5]C[5a]C[5]H)(C[5]N[5]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5]C[5]H)(C[5a]N[5a]H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5a]C[5a,6a]C[5a])(C[5]C[5,5]HN)(H){1|O<1>,2|C<4>,2|H<1>,2|N<3>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5,6])(C[5]C[5a]C[5]H)(C[5]N[5]O){1|N<3>,3|C<4>,4|C<3>,5|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5]C[5]H)(C[5a]N[5a]H){2|C<4>,2|H<1>,2|N<3>,4|C<3>}	118.6560	1.090	2	118.6560	1.189	2	118.6560	1.189	2	118.6560	1.189	2	115.2282	8.932	41	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5,5]	C[5a]	4:3:4:1:	3:4:3:3:	4:3:2:	C[5,5]-4:C[5a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:C[5a]-3:O[5a]-2:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5a]C[5a]O[5a])(C[5,5]C[5]3)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5a]H)(C[5]N[5]O)(N[5]C[5]H)	C[5a](C[5]C[5,5]2H)(C[5a]C[5a]H)(O[5a]C[5a])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5a]C[5a]O[5a])(C[5,5]C[5]3)(H){1|N<3>,1|S<1>,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[5a]H)(C[5]N[5]O)(N[5]C[5]H){1|H<1>,1|O<2>,1|S<1>,2|C<4>,4|C<3>}	C[5a](C[5]C[5,5]2H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	116.3700	0.000	1	116.3700	0.000	1	116.3700	0.000	1	115.6425	1.059	2	115.2282	8.932	41	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5,5]	C[5a]	4:3:4:1:	3:4:3:3:	4:3:2:	C[5,5]-4:C[5a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:C[5a]-3:S[5a]-2:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5a]C[5a]S[5a])(C[5]C[5]HH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(C[5]N[5]O)(N[5]C[5]C)	C[5a](C[5]C[5,5]C[5]H)(C[5a]C[5a]H)(S[5a]C[5a])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5a]C[5a]S[5a])(C[5]C[5]HH)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|O<2>,1|S<2>,3|H<1>,4|C<3>}	C[5a](C[5]C[5,5]C[5]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	114.9150	0.000	1	114.9150	0.000	1	114.9150	0.000	1	115.6425	1.059	2	115.2282	8.932	41	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5,5]	C[5a]	4:3:4:1:	3:4:4:1:	4:3:2:	C[5,5]-4:C[5a]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5](C[5,5]N[5,5]C[5]H)(C[5a]C[5a]S[5a])(C[5]C[5,5]CH)(H)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5a]C[5]H)(C[5]C[5]HH)(H)	C[5a](C[5]C[5,5]C[5]H)(C[5a]N[5a]C)(S[5a]C[5a])	C[5](C[5,5]N[5,5]C[5]H)(C[5a]C[5a]S[5a])(C[5]C[5,5]CH)(H){1|N<2>,2|H<1>,3|C<3>,3|C<4>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5a]C[5]H)(C[5]C[5]HH)(H){1|S<2>,4|C<3>,5|H<1>}	C[5a](C[5]C[5,5]C[5]H)(C[5a]N[5a]C)(S[5a]C[5a]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	114.1830	0.940	2	114.1830	0.884	2	114.1830	0.884	2	114.1830	0.884	2	115.2282	8.932	41	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5,5]	C[5a]	4:3:4:1:	3:4:4:4:	3:4:3:	C[5,5]-4:C[5a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5,5]-4:C-4:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5a]C[5a,6a]C[5a])(C[5]N[5]HH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(C[5,5]N[5]2H)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5]C[5]H)(C[5a]N[5a]H)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5a]C[5a,6a]C[5a])(C[5]N[5]HH)(H){1|S<4>,2|H<1>,2|N<3>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(C[5,5]N[5]2H)(CH3){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5]C[5]H)(C[5a]N[5a]H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	116.7080	0.819	2	116.7080	0.670	2	116.7080	0.670	2	116.7080	0.670	2	115.2282	8.932	41	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5,5]	C[5a]	4:3:4:1:	4:4:3:2:	4:3:2:	C[5,5]-4:C[5a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-3:N[5]-2:	C[5]-4:C[5a]-3:N[5a]-2:	C[5](C[5,5]C[5]2N[5])(C[5a]C[5a]N[5a])(C[5]C[5]CH)(H)	C[5,5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5])	C[5a](C[5]C[5,5]C[5]H)(C[5a]N[5a]H)(N[5a]C[5a])	C[5](C[5,5]C[5]2N[5])(C[5a]C[5a]N[5a])(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|C<3>,2|N<3>,4|H<1>}	C[5,5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[5a](C[5]C[5,5]C[5]H)(C[5a]N[5a]H)(N[5a]C[5a]){1|N<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	118.2045	0.049	2	118.2045	0.002	2	118.2045	0.002	2	118.2045	0.002	2	115.2282	8.932	41	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5,5]	C[5a]	4:3:4:1:	4:4:3:3:	4:3:2:	C[5,5]-4:C[5a]-3:C[5,5]-4:H-1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[5a]-3:O[5a]-2:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5a]C[5a]O[5a])(C[5,5]C[5]3)(H)	C[5,5](C[5]C[5,5]C[5a]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[5]N[5]S)	C[5a](C[5]C[5,5]2H)(C[5a]C[5a]H)(O[5a]C[5a])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5a]C[5a]O[5a])(C[5,5]C[5]3)(H){1|N<3>,1|S<1>,2|O<1>,4|H<1>,6|C<3>}	C[5,5](C[5]C[5,5]C[5a]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[5]N[5]S){1|H<1>,1|O<2>,5|C<3>}	C[5a](C[5]C[5,5]2H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	116.3470	0.000	1	116.3470	0.000	1	116.3470	0.000	1	116.3470	0.000	1	115.2282	8.932	41	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5,5]	C[5a]	4:4:3:1:	3:3:4:3:	4:3:2:	C[5,5]-4:C[5]-4:C[5a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5]-4:C[5a]-3:O[5a]-2:	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[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5a]C[5]H)(C[5]N[5]O)	C[5a](C[5]C[5,5]C[5]H)(C[5a]C[5a]N)(O[5a]N[5a])	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[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5a]C[5]H)(C[5]N[5]O){1|O<2>,2|C<4>,4|C<3>,6|H<1>}	C[5a](C[5]C[5,5]C[5]H)(C[5a]C[5a]N)(O[5a]N[5a]){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	112.8480	0.000	1	112.8480	0.000	1	112.8480	0.000	1	112.8480	0.000	1	115.2282	8.932	41	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5,5]	C[5a]	4:4:3:1:	3:4:3:3:	4:3:2:	C[5,5]-4:C[5,5]-4:C[5a]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[5a]-3:O[5a]-2:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,5]C[5,6a]C[5]2)(C[5a]C[5a]O[5a])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5a]H)(C[5]N[5]O)(C[5]N[5]S)	C[5a](C[5]C[5,5]2H)(C[5a]C[5a]N)(O[5a]N[5a])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,5]C[5,6a]C[5]2)(C[5a]C[5a]O[5a])(H){1|H<1>,1|N<2>,1|S<1>,2|O<1>,3|N<3>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5a]H)(C[5]N[5]O)(C[5]N[5]S){1|O<2>,2|H<1>,6|C<3>}	C[5a](C[5]C[5,5]2H)(C[5a]C[5a]N)(O[5a]N[5a]){1|C<4>,1|N<3>,5|C<3>}	112.1090	0.000	1	112.1090	0.000	1	112.1090	0.000	1	115.5200	23.270	2	115.2282	8.932	41	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5,5]	C[5a]	4:4:3:1:	3:4:3:3:	4:3:2:	C[5,5]-4:C[5,5]-4:C[5a]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:C[5a]-3:O[5a]-2:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,5]C[5,6a]C[5]2)(C[5a]C[5a]O[5a])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5a]H)(C[5]N[5]O)(N[5]C[5]H)	C[5a](C[5]C[5,5]2H)(C[5a]C[5a]N)(O[5a]N[5a])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,5]C[5,6a]C[5]2)(C[5a]C[5a]O[5a])(H){1|H<1>,1|N<2>,1|S<1>,2|O<1>,3|N<3>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5a]H)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|H<1>,1|O<2>,1|S<1>,5|C<3>}	C[5a](C[5]C[5,5]2H)(C[5a]C[5a]N)(O[5a]N[5a]){1|C<4>,1|N<3>,5|C<3>}	118.9310	0.000	1	118.9310	0.000	1	118.9310	0.000	1	115.5200	23.270	2	115.2282	8.932	41	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5,5]	C[5a]	4:4:3:1:	3:4:4:4:	4:3:3:	C[5,5]-4:C[5,6]-4:C[5a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5]-4:C[5a]-3:N[5a]-3:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5]O)(C[5]C[5,6]C[5a]H)(CH3)	C[5a](C[5]C[5,5]C[5,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H){1|H<1>,1|N<3>,1|O<2>,1|S<4>,4|C<4>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5]O)(C[5]C[5,6]C[5a]H)(CH3){1|C<4>,1|N<3>,1|S<4>,3|H<1>,4|C<3>}	C[5a](C[5]C[5,5]C[5,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S){1|H<1>,3|C<3>,4|C<4>}	111.7340	0.000	1	111.7340	0.000	1	111.7340	0.000	1	111.7340	0.000	1	115.2282	8.932	41	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5,5]	C[5a]	4:4:3:1:	4:3:4:1:	4:3:3:	C[5,5]-4:C[5,6]-4:C[5a]-3:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[5a]C[5a]2)(H)	C[5,5](C[5]C[5,6]C[5a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	C[5a](C[5]C[5,5]C[5,6]H)(C[5a]C[6a]N[5a])(C[5a]N[5a]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[5a]C[5a]2)(H){1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,4|C<3>,5|H<1>}	C[5,5](C[5]C[5,6]C[5a]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[5a](C[5]C[5,5]C[5,6]H)(C[5a]C[6a]N[5a])(C[5a]N[5a]H){1|H<1>,1|N<3>,3|C<4>,4|C<3>}	110.4660	0.035	2	110.4660	0.001	2	110.9213	0.623	3	110.9213	0.623	3	115.2282	8.932	41	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5,5]	C[5a]	4:4:3:1:	4:3:4:1:	4:3:3:	C[5,5]-4:C[5,6]-4:C[5a]-3:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[5a]C[5a]2)(H)	C[5,5](C[5]C[5,6]C[5a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	C[5a](C[5]C[5,5]C[5,6]H)(C[5a]C[6a]N[5a])(C[5a]N[5a]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[5a]C[5a]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,4|C<3>,5|H<1>}	C[5,5](C[5]C[5,6]C[5a]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[5a](C[5]C[5,5]C[5,6]H)(C[5a]C[6a]N[5a])(C[5a]N[5a]H){1|H<1>,1|N<3>,3|C<4>,4|C<3>}	111.8320	0.000	1	111.8320	0.000	1	110.9213	0.623	3	110.9213	0.623	3	115.2282	8.932	41	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5,5]	C[5a]	4:4:3:1:	4:4:3:1:	4:3:2:	C[5,5]-4:C[5,5]-4:C[5a]-3:H-1:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-4:C[5a]-3:N[5a]-2:	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2N[5])(C[5a]C[5a]N[5a])(H)	C[5,5](C[5]C[5,5]C[5a]H)(C[5,5]C[5]2H)(C[5]O[5]O)(H)	C[5a](C[5]C[5,5]2H)(C[5a]N[5a]H)(N[5a]C[5a])	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2N[5])(C[5a]C[5a]N[5a])(H){1|C<4>,1|O<2>,2|C<3>,2|N<3>,2|O<1>,4|H<1>}	C[5,5](C[5]C[5,5]C[5a]H)(C[5,5]C[5]2H)(C[5]O[5]O)(H){2|C<3>,2|N<2>,4|H<1>}	C[5a](C[5]C[5,5]2H)(C[5a]N[5a]H)(N[5a]C[5a]){1|N<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	116.2970	0.000	1	118.2205	7.400	2	118.2205	7.400	2	118.2205	7.400	2	115.2282	8.932	41	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5,5]	C[5a]	4:4:3:1:	4:4:3:1:	4:3:2:	C[5,5]-4:C[5,5]-4:C[5a]-3:H-1:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-4:C[5a]-3:N[5a]-2:	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2N[5])(C[5a]C[5a]N[5a])(H)	C[5,5](C[5]C[5,5]C[5a]H)(C[5,5]C[5]2H)(C[5]O[5]O)(H)	C[5a](C[5]C[5,5]2H)(C[5a]N[5a]H)(N[5a]C[5a])	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2N[5])(C[5a]C[5a]N[5a])(H){1|C<4>,1|O<2>,2|C<3>,2|N<3>,2|O<1>,4|H<1>}	C[5,5](C[5]C[5,5]C[5a]H)(C[5,5]C[5]2H)(C[5]O[5]O)(H){2|C<3>,2|N<2>,4|H<1>}	C[5a](C[5]C[5,5]2H)(C[5a]N[5a]H)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	120.1440	0.000	1	118.2205	7.400	2	118.2205	7.400	2	118.2205	7.400	2	115.2282	8.932	41	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5,5]	C[5a]	4:4:3:1:	4:4:3:2:	4:3:2:	C[5,5]-4:C[5,5]-4:C[5a]-3:H-1:	C[5]-4:C[5]-4:C[5]-3:N[5]-2:	C[5]-4:C[5a]-3:N[5a]-2:	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2N[5])(C[5a]C[5a]N[5a])(H)	C[5,5](C[5]C[5,5]C[5a]H)(C[5]C[5,5]HH)(C[5]N[5]O)(N[5]C[5])	C[5a](C[5]C[5,5]2H)(C[5a]N[5a]H)(N[5a]C[5a])	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2N[5])(C[5a]C[5a]N[5a])(H){1|C<4>,1|O<2>,2|C<3>,2|N<3>,2|O<1>,4|H<1>}	C[5,5](C[5]C[5,5]C[5a]H)(C[5]C[5,5]HH)(C[5]N[5]O)(N[5]C[5]){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[5a](C[5]C[5,5]2H)(C[5a]N[5a]H)(N[5a]C[5a]){1|N<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	117.7570	0.000	1	116.9065	1.447	2	116.9065	1.447	2	116.9065	1.447	2	115.2282	8.932	41	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5,5]	C[5a]	4:4:3:1:	4:4:3:2:	4:3:2:	C[5,5]-4:C[5,5]-4:C[5a]-3:H-1:	C[5]-4:C[5]-4:C[5]-3:N[5]-2:	C[5]-4:C[5a]-3:N[5a]-2:	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2N[5])(C[5a]C[5a]N[5a])(H)	C[5,5](C[5]C[5,5]C[5a]H)(C[5]C[5,5]HH)(C[5]N[5]O)(N[5]C[5])	C[5a](C[5]C[5,5]2H)(C[5a]N[5a]H)(N[5a]C[5a])	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2N[5])(C[5a]C[5a]N[5a])(H){1|C<4>,1|O<2>,2|C<3>,2|N<3>,2|O<1>,4|H<1>}	C[5,5](C[5]C[5,5]C[5a]H)(C[5]C[5,5]HH)(C[5]N[5]O)(N[5]C[5]){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[5a](C[5]C[5,5]2H)(C[5a]N[5a]H)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	116.0560	0.000	1	116.9065	1.447	2	116.9065	1.447	2	116.9065	1.447	2	115.2282	8.932	41	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5,6]	C[5a]	3:4:3:1:	4:2:2:4:	3:4:3:	C[5a]-3:C[5,6]-4:N[5]-3:H-1:	C[5]-4:O[5,6]-2:O[6]-2:C-4:	C[5a,6a]-3:C[5]-4:C[5a]-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)	C[5,6](C[5]C[5a]N[5]H)(O[5,6]C[5,6])(O[6]C[6,6a])(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6]N[5]H)(C[5a]N[5a]H)	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>}	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[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6]N[5]H)(C[5a]N[5a]H){1|H<1>,1|S<4>,2|C<3>,2|O<2>,3|C<4>}	116.8600	0.000	1	116.8600	0.000	1	116.8600	0.000	1	116.8600	0.000	1	116.8748	3.067	46	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5,6]	C[5a]	4:3:2:1:	4:2:2:3:	4:3:2:	C[5,6]-4:C[5a]-3:O[5]-2:H-1:	C[5]-4:O[5,6]-2:N[6]-2:N-3:	C[5]-4:C[5a]-3:S[5a]-2:	C[5](C[5,6]O[5,6]N[6]N)(C[5a]C[5a]S[5a])(O[5]C[5,6])(H)	C[5,6](C[5]C[5a]O[5]H)(O[5,6]C[5,6])(N[6]C[6])(NCS)	C[5a](C[5]C[5,6]O[5]H)(C[5a]C[5a]H)(S[5a]C[5a])	C[5](C[5,6]O[5,6]N[6]N)(C[5a]C[5a]S[5a])(O[5]C[5,6])(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6](C[5]C[5a]O[5]H)(O[5,6]C[5,6])(N[6]C[6])(NCS){1|C<3>,1|S<2>,3|C<4>}	C[5a](C[5]C[5,6]O[5]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	117.4730	0.000	1	117.4730	0.000	1	117.4730	0.000	1	117.4730	0.000	1	116.8748	3.067	46	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5,6]	C[5a]	4:3:2:1:	4:3:4:4:	4:3:3:	C[5,6]-4:C[5a]-3:O[5]-2:H-1:	C[5]-4:C[5,6]-3:C[6]-4:C-4:	C[5]-4:C[5a]-3:C[5a]-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(O[5]C[5])(H)	C[5,6](C[5]C[5a]O[5]H)(C[5,6]C[5]C[6])(C[6]C[5a,6]HH)(CH3)	C[5a](C[5]C[5,6]O[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(O[5]C[5])(H){1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[5,6](C[5]C[5a]O[5]H)(C[5,6]C[5]C[6])(C[6]C[5a,6]HH)(CH3){1|C<4>,1|O<1>,4|C<3>}	C[5a](C[5]C[5,6]O[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|H<1>,2|C<3>,2|C<4>}	117.0710	0.000	1	117.0710	0.000	1	118.4823	0.697	9	118.4823	0.697	9	116.8748	3.067	46	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5,6]	C[5a]	4:3:2:1:	4:3:4:4:	4:3:3:	C[5,6]-4:C[5a]-3:O[5]-2:H-1:	C[5]-4:C[5,6]-3:C[6]-4:C-4:	C[5]-4:C[5a]-3:C[5a]-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(O[5]C[5])(H)	C[5,6](C[5]C[5a]O[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3)	C[5a](C[5]C[5,6]O[5]H)(C[5a]C[5a]H)(C[5a]O[5a]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5]C[5a]O[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5a](C[5]C[5,6]O[5]H)(C[5a]C[5a]H)(C[5a]O[5a]C){1|H<1>,2|C<3>,2|C<4>}	118.2040	0.000	1	118.2040	0.000	1	118.4823	0.697	9	118.4823	0.697	9	116.8748	3.067	46	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5,6]	C[5a]	4:3:2:1:	4:3:4:4:	4:3:3:	C[5,6]-4:C[5a]-3:O[5]-2:H-1:	C[5]-4:C[5,6]-3:C[6]-4:C-4:	C[5]-4:C[5a]-3:C[5a]-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(O[5]C[5])(H)	C[5,6](C[5]C[5a]O[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3)	C[5a](C[5]C[5,6]O[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5,6](C[5]C[5a]O[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5a](C[5]C[5,6]O[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|H<1>,2|C<3>,2|C<4>}	118.9990	0.000	1	118.7237	0.517	7	118.4823	0.697	9	118.4823	0.697	9	116.8748	3.067	46	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5,6]	C[5a]	4:3:2:1:	4:3:4:4:	4:3:3:	C[5,6]-4:C[5a]-3:O[5]-2:H-1:	C[5]-4:C[5,6]-3:C[6]-4:C-4:	C[5]-4:C[5a]-3:C[5a]-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(O[5]C[5])(H)	C[5,6](C[5]C[5a]O[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3)	C[5a](C[5]C[5,6]O[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5,6](C[5]C[5a]O[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5a](C[5]C[5,6]O[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H){2|C<3>,3|C<4>}	118.5785	0.713	2	118.7237	0.517	7	118.4823	0.697	9	118.4823	0.697	9	116.8748	3.067	46	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5,6]	C[5a]	4:3:2:1:	4:3:4:4:	4:3:3:	C[5,6]-4:C[5a]-3:O[5]-2:H-1:	C[5]-4:C[5,6]-3:C[6]-4:C-4:	C[5]-4:C[5a]-3:C[5a]-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(O[5]C[5])(H)	C[5,6](C[5]C[5a]O[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3)	C[5a](C[5]C[5,6]O[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5,6](C[5]C[5a]O[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5a](C[5]C[5,6]O[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H){2|C<4>,3|C<3>}	118.7275	0.908	4	118.7237	0.517	7	118.4823	0.697	9	118.4823	0.697	9	116.8748	3.067	46	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5,6]	C[5a]	4:3:2:1:	4:4:3:1:	3:4:3:	C[5,6]-4:C[5a]-3:O[5]-2:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5a]C[5a,6a]C[5a])(O[5]C[5])(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5a]O[5]H)(C[6]C[6]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6]O[5]H)(C[5a]N[5a]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5a]C[5a,6a]C[5a])(O[5]C[5])(H){1|N<3>,3|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5a]O[5]H)(C[6]C[6]C)(H){2|C<3>,3|C<4>,7|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6]O[5]H)(C[5a]N[5a]H){2|C<4>,3|C<3>,3|H<1>}	118.6140	0.000	1	118.6140	0.000	1	118.6140	0.000	1	118.6140	0.000	1	116.8748	3.067	46	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5,6]	C[5a]	4:3:3:1:	4:4:4:1:	4:3:2:	C[5,6]-4:C[5a]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-4:S[6]-4:H-1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5](C[5,6]C[5,6]S[6]H)(C[5a]C[5a]S[5a])(N[5]C[5]H)(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[5a](C[5]C[5,6]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a])	C[5](C[5,6]C[5,6]S[6]H)(C[5a]C[5a]S[5a])(N[5]C[5]H)(H){1|O<2>,2|O<1>,3|H<1>,4|C<3>}	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[5a](C[5]C[5,6]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|S<4>,2|C<4>,4|H<1>}	112.9560	0.000	1	112.9560	0.000	1	112.9560	0.000	1	112.9560	0.000	1	116.8748	3.067	46	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5,6]	C[5a]	4:3:3:1:	4:4:4:1:	4:3:3:	C[5,6]-4:C[5a]-3:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[5a]C[5a]2)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5a]C[5]H)(C[6]C[6]ClH)(H)	C[5a](C[5]C[5,6]C[5]H)(C[5a]C[5a]H)(C[5a]S[5a]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5a]C[5a]2)(C[5]N[5]O)(H){1|Cl<1>,1|C<3>,1|S<2>,1|S<4>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5a]C[5]H)(C[6]C[6]ClH)(H){1|C<4>,1|O<1>,1|S<4>,2|C<3>,4|H<1>}	C[5a](C[5]C[5,6]C[5]H)(C[5a]C[5a]H)(C[5a]S[5a]H){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	114.6190	0.000	1	114.6190	0.000	1	114.6190	0.000	1	114.6190	0.000	1	116.8748	3.067	46	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5,6]	C[5a]	4:3:3:1:	4:4:4:4:	4:3:3:	C[5,6]-4:C[5]-3:C[5a]-3:H-1:	C[3,5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:C[5a]-3:C[5a]-3:	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]O)(C[5a]C[5a]2)(H)	C[5,6](C[3,5,6]C[3,5]C[6,6]O[3])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3)	C[5a](C[5]C[5,6]C[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]O)(C[5a]C[5a]2)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[5,6](C[3,5,6]C[3,5]C[6,6]O[3])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5a](C[5]C[5,6]C[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|H<1>,1|O<1>,4|C<4>}	116.5860	0.000	1	116.5860	0.000	1	116.5860	0.000	1	116.5860	0.000	1	116.8748	3.067	46	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5,6]	C[5a]	4:3:4:1:	3:4:4:4:	4:3:3:	C[5,6]-4:C[5a]-3:C[5]-4:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5]-4:C[5a]-3:C[5a]-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3)	C[5a](C[5]C[5,6]C[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5a](C[5]C[5,6]C[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H){2|C<3>,2|C<4>,3|H<1>}	116.3000	0.000	1	118.3540	3.365	3	117.3206	1.614	10	117.3206	1.614	10	116.8748	3.067	46	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5,6]	C[5a]	4:3:4:1:	3:4:4:4:	4:3:3:	C[5,6]-4:C[5a]-3:C[5]-4:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5]-4:C[5a]-3:C[5a]-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3)	C[5a](C[5]C[5,6]C[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5a](C[5]C[5,6]C[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H){2|C<3>,2|C<4>,3|H<1>}	119.3810	0.634	2	118.3540	3.365	3	117.3206	1.614	10	117.3206	1.614	10	116.8748	3.067	46	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5,6]	C[5a]	4:3:4:1:	3:4:4:4:	4:3:3:	C[5,6]-4:C[5a]-3:C[5]-4:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5]-4:C[5a]-3:C[5a]-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HO)(CH3)	C[5a](C[5]C[5,6]C[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,3|O<2>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HO)(CH3){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5a](C[5]C[5,6]C[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|C<3>,3|C<4>,3|H<1>}	118.2040	0.000	1	118.2040	0.000	1	117.3206	1.614	10	117.3206	1.614	10	116.8748	3.067	46	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5,6]	C[5a]	4:3:4:1:	3:4:4:4:	4:3:3:	C[5,6]-4:C[5a]-3:C[5]-4:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5]-4:C[5a]-3:C[5a]-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6,6]HH)(CH3)	C[5a](C[5]C[5,6]C[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HH)(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[5a]C[5]H)(C[6]C[6,6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5a](C[5]C[5,6]C[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H){2|C<3>,2|C<4>,3|H<1>}	116.8200	0.000	1	116.8200	0.000	1	117.3206	1.614	10	117.3206	1.614	10	116.8748	3.067	46	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5,6]	C[5a]	4:3:4:1:	3:4:4:4:	4:3:3:	C[5,6]-4:C[5a]-3:C[5]-4:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5]-4:C[5a]-3:C[5a]-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3)	C[5a](C[5]C[5,6]C[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HH)(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[5a]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5a](C[5]C[5,6]C[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H){2|C<3>,2|C<4>,3|H<1>}	117.0490	0.000	1	116.6240	0.285	5	117.3206	1.614	10	117.3206	1.614	10	116.8748	3.067	46	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5,6]	C[5a]	4:3:4:1:	3:4:4:4:	4:3:3:	C[5,6]-4:C[5a]-3:C[5]-4:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5]-4:C[5a]-3:C[5a]-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3)	C[5a](C[5]C[5,6]C[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HH)(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[5a]C[5]H)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,5|H<1>}	C[5a](C[5]C[5,6]C[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H){2|C<3>,2|C<4>,3|H<1>}	116.5178	0.552	4	116.6240	0.285	5	117.3206	1.614	10	117.3206	1.614	10	116.8748	3.067	46	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5,6]	C[5a]	4:3:4:1:	4:3:4:4:	4:3:3:	C[5,6]-4:C[5a]-3:C[5]-4:H-1:	C[5]-4:C[5,6]-3:C[6]-4:C-4:	C[5]-4:C[5a]-3:C[5a]-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HH)(H)	C[5,6](C[5]C[5a]C[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HO)(CH3)	C[5a](C[5]C[5,6]C[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,3|O<2>,4|H<1>}	C[5,6](C[5]C[5a]C[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HO)(CH3){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5a](C[5]C[5,6]C[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|C<3>,3|C<4>,3|H<1>}	116.2420	0.000	1	116.2420	0.000	1	116.2420	0.000	1	116.2420	0.000	1	116.8748	3.067	46	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5,6]	C[5a]	4:3:4:1:	4:4:2:2:	3:4:3:	C[5,6]-4:C[5a]-3:C[5]-4:H-1:	C[6,6]-4:C[5]-4:O[5,6]-2:C-2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](C[5,6]C[6,6]O[5,6]C)(C[5a]C[5a,6a]C[5a])(C[5]C[5,6]HH)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5]C[5a]C[5]H)(O[5,6]C[5,6])(CN)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6]C[5]H)(C[5a]N[5a]H)	C[5](C[5,6]C[6,6]O[5,6]C)(C[5a]C[5a,6a]C[5a])(C[5]C[5,6]HH)(H){2|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5]C[5a]C[5]H)(O[5,6]C[5,6])(CN){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6]C[5]H)(C[5a]N[5a]H){1|C<2>,1|O<2>,1|S<4>,2|C<3>,2|C<4>,3|H<1>}	115.2870	0.000	1	115.2870	0.000	1	115.2870	0.000	1	115.2870	0.000	1	116.8748	3.067	46	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5,6]	C[5a]	4:3:4:1:	4:4:3:4:	4:3:2:	C[5,6]-4:C[5a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5]-4:C[5a]-3:O[5a]-2:	C[5](C[5,6]C[5,5]C[6]2)(C[5a]C[5a]O[5a])(C[5]N[5]HH)(H)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)	C[5a](C[5]C[5,6]C[5]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[5](C[5,6]C[5,5]C[6]2)(C[5a]C[5a]O[5a])(C[5]N[5]HH)(H){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[5a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH){1|C<4>,1|O<1>,1|O<2>,4|H<1>,6|C<3>}	C[5a](C[5]C[5,6]C[5]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	117.4530	0.000	1	117.4530	0.000	1	117.4530	0.000	1	117.4530	0.000	1	116.8748	3.067	46	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5,6]	C[5a]	4:3:4:1:	4:4:4:4:	4:3:3:	C[5,6]-4:C[5a]-3:C[5]-4:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:C[5a]-3:C[5a]-3:	C[5](C[5,6]C[5,5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HH)(H)	C[5,6](C[5,5,6]C[5,6]2C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HO)(CH3)	C[5a](C[5]C[5,6]C[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]2C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HO)(CH3){1|O<1>,1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[5a](C[5]C[5,6]C[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|C<3>,3|C<4>,3|H<1>}	117.1735	0.033	2	117.1735	0.001	2	117.1735	0.001	2	116.3564	1.356	5	116.8748	3.067	46	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5,6]	C[5a]	4:3:4:1:	4:4:4:4:	4:3:3:	C[5,6]-4:C[5a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:C[5a]-3:C[5a]-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5a]C[5]H)(C[6]C[6]HO)(CH3)	C[5a](C[5]C[5,6]C[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]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]H)(C[5]C[5a]C[5]H)(C[6]C[6]HO)(CH3){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5a](C[5]C[5,6]C[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|C<3>,3|C<4>,3|H<1>}	115.1080	0.475	2	115.1080	0.226	2	115.8117	1.598	3	116.3564	1.356	5	116.8748	3.067	46	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5,6]	C[5a]	4:3:4:1:	4:4:4:4:	4:3:3:	C[5,6]-4:C[5a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:C[5a]-3:C[5a]-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HO)(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3)	C[5a](C[5]C[5,6]C[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]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[5a]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[5a](C[5]C[5,6]C[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|O<2>,2|H<1>,4|C<4>}	117.2190	0.000	1	117.2190	0.000	1	115.8117	1.598	3	116.3564	1.356	5	116.8748	3.067	46	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5,6]	C[5a]	4:4:3:1:	4:4:3:4:	4:3:3:	C[5,5]-4:C[5,6]-4:C[5a]-3:H-1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5]-4:C[5a]-3:C[5a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[5a]C[5a]2)(H)	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[5a]H)(C[6]C[6,6a]O)(C[6]O[6]HH)	C[5a](C[5]C[5,5]C[5,6]H)(C[5a]C[6a]N[5a])(C[5a]N[5a]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[5a]C[5a]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,4|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[5a]H)(C[6]C[6,6a]O)(C[6]O[6]HH){1|H<1>,1|O<1>,2|C<4>,7|C<3>}	C[5a](C[5]C[5,5]C[5,6]H)(C[5a]C[6a]N[5a])(C[5a]N[5a]H){1|H<1>,1|N<3>,3|C<4>,4|C<3>}	117.4340	0.000	1	117.6980	0.061	3	117.6980	0.061	3	117.6980	0.061	3	116.8748	3.067	46	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5,6]	C[5a]	4:4:3:1:	4:4:3:4:	4:3:3:	C[5,5]-4:C[5,6]-4:C[5a]-3:H-1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5]-4:C[5a]-3:C[5a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[5a]C[5a]2)(H)	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[5a]H)(C[6]C[6,6a]O)(C[6]O[6]HH)	C[5a](C[5]C[5,5]C[5,6]H)(C[5a]C[6a]N[5a])(C[5a]N[5a]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[5a]C[5a]2)(H){1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,4|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[5a]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[5a](C[5]C[5,5]C[5,6]H)(C[5a]C[6a]N[5a])(C[5a]N[5a]H){1|H<1>,1|N<3>,3|C<4>,4|C<3>}	117.7360	0.000	1	117.6980	0.061	3	117.6980	0.061	3	117.6980	0.061	3	116.8748	3.067	46	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5,6]	C[5a]	4:4:3:1:	4:4:3:4:	4:3:3:	C[5,5]-4:C[5,6]-4:C[5a]-3:H-1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-4:	C[5]-4:C[5a]-3:C[5a]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[5a]C[5a]2)(H)	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[5a]H)(C[6]C[6,6a]O)(C[6]O[6]HH)	C[5a](C[5]C[5,5]C[5,6]H)(C[5a]C[6a]N[5a])(C[5a]N[5a]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5,6]C[5,5]C[6]2)(C[5a]C[5a]2)(H){1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,4|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[5a]H)(C[6]C[6,6a]O)(C[6]O[6]HH){1|H<1>,1|O<1>,2|C<4>,7|C<3>}	C[5a](C[5]C[5,5]C[5,6]H)(C[5a]C[6a]N[5a])(C[5a]N[5a]H){1|H<1>,1|N<3>,3|C<4>,4|C<3>}	117.9240	0.000	1	117.6980	0.061	3	117.6980	0.061	3	117.6980	0.061	3	116.8748	3.067	46	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5,6]	C[5a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[3x5]-4:C[5,6]-4:C[5a]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[5a]-3:N[5a]-3:	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H)	C[5,6](C[5,6]C[3x5]C[6]H)(C[5]C[3x5]C[5a]H)(C[6]C[6]CC)(H)	C[5a](C[5]C[3x5]C[5,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H){2|N<3>,4|H<1>,5|C<3>,5|C<4>}	C[5,6](C[5,6]C[3x5]C[6]H)(C[5]C[3x5]C[5a]H)(C[6]C[6]CC)(H){1|C<4>,3|C<3>,3|H<1>,3|N<3>}	C[5a](C[5]C[3x5]C[5,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|H<1>,3|C<3>,4|C<4>}	116.3390	0.229	2	116.3390	0.052	2	114.3114	3.580	5	115.1082	6.673	6	116.8748	3.067	46	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5,6]	C[5a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[3x5]-4:C[5,6]-4:C[5a]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[5a]-3:N[5a]-3:	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H)	C[5,6](C[5,6]C[3x5]C[6]H)(C[5]C[3x5]C[5a]H)(C[6]C[6]CC)(H)	C[5a](C[5]C[3x5]C[5,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H){1|N<3>,1|O<2>,1|S<4>,3|H<1>,4|C<4>,6|C<3>}	C[5,6](C[5,6]C[3x5]C[6]H)(C[5]C[3x5]C[5a]H)(C[6]C[6]CC)(H){1|C<4>,1|O<2>,2|N<3>,3|C<3>,3|H<1>}	C[5a](C[5]C[3x5]C[5,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S){1|H<1>,3|C<3>,4|C<4>}	112.4050	0.000	1	112.9597	0.281	3	114.3114	3.580	5	115.1082	6.673	6	116.8748	3.067	46	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5,6]	C[5a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[3x5]-4:C[5,6]-4:C[5a]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[5a]-3:N[5a]-3:	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H)	C[5,6](C[5,6]C[3x5]C[6]H)(C[5]C[3x5]C[5a]H)(C[6]C[6]CC)(H)	C[5a](C[5]C[3x5]C[5,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H){1|N<3>,1|O<2>,1|S<4>,3|H<1>,5|C<3>,5|C<4>}	C[5,6](C[5,6]C[3x5]C[6]H)(C[5]C[3x5]C[5a]H)(C[6]C[6]CC)(H){1|C<4>,1|O<2>,2|N<3>,3|C<3>,3|H<1>}	C[5a](C[5]C[3x5]C[5,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S){1|H<1>,3|C<3>,4|C<4>}	113.4620	0.000	1	112.9597	0.281	3	114.3114	3.580	5	115.1082	6.673	6	116.8748	3.067	46	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5,6]	C[5a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[3x5]-4:C[5,6]-4:C[5a]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[5a]-3:N[5a]-3:	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H)	C[5,6](C[5,6]C[3x5]C[6]H)(C[5]C[3x5]C[5a]H)(C[6]C[6]CC)(H)	C[5a](C[5]C[3x5]C[5,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H){1|S<4>,2|N<3>,3|H<1>,5|C<3>,5|C<4>}	C[5,6](C[5,6]C[3x5]C[6]H)(C[5]C[3x5]C[5a]H)(C[6]C[6]CC)(H){1|C<4>,3|C<3>,3|H<1>,3|N<3>}	C[5a](C[5]C[3x5]C[5,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S){1|H<1>,3|C<3>,4|C<4>}	113.0120	0.000	1	112.9597	0.281	3	114.3114	3.580	5	115.1082	6.673	6	116.8748	3.067	46	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5,6]	C[5a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[5,5]-4:C[5,6]-4:C[5a]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C[5a]-3:N[5a]-3:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H)	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]C[5a]H)(C[6]C[6]CC)(H)	C[5a](C[5]C[5,5]C[5,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5,6]C[5,6]C[6]H)(C[5a]C[5a]N[5a])(H){1|H<1>,1|N<3>,1|O<2>,1|S<4>,4|C<4>,5|C<3>}	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]C[5a]H)(C[6]C[6]CC)(H){1|C<4>,1|O<2>,2|N<3>,3|C<3>,3|H<1>}	C[5a](C[5]C[5,5]C[5,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S){1|H<1>,3|C<3>,4|C<4>}	119.0920	0.000	1	119.0920	0.000	1	119.0920	0.000	1	115.1082	6.673	6	116.8748	3.067	46	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5,6]	C[5a]	4:4:3:1:	4:4:4:4:	4:3:3:	C[5,6]-4:C[5]-4:C[5a]-3:H-1:	C[3,5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:C[5a]-3:C[5a]-3:	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]HH)(C[5a]C[5a]2)(H)	C[5,6](C[3,5,6]C[3,5]C[6,6]O[3])(C[5]C[5a]C[5]H)(C[6]C[3,6]HH)(CH3)	C[5a](C[5]C[5,6]C[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]HH)(C[5a]C[5a]2)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[5,6](C[3,5,6]C[3,5]C[6,6]O[3])(C[5]C[5a]C[5]H)(C[6]C[3,6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5a](C[5]C[5,6]C[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H){3|H<1>,4|C<4>}	115.6250	0.375	2	115.6250	0.140	2	116.2700	0.999	4	116.2700	0.999	4	116.8748	3.067	46	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5,6]	C[5a]	4:4:3:1:	4:4:4:4:	4:3:3:	C[5,6]-4:C[5]-4:C[5a]-3:H-1:	C[3,5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:C[5a]-3:C[5a]-3:	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]HH)(C[5a]C[5a]2)(H)	C[5,6](C[3,5,6]C[3,5]C[6,6]O[3])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3)	C[5a](C[5]C[5,6]C[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]HH)(C[5a]C[5a]2)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[5,6](C[3,5,6]C[3,5]C[6,6]O[3])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,5|H<1>}	C[5a](C[5]C[5,6]C[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H){3|H<1>,4|C<4>}	116.1430	0.000	1	116.1430	0.000	1	116.2700	0.999	4	116.2700	0.999	4	116.8748	3.067	46	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5,6]	C[5a]	4:4:3:1:	4:4:4:4:	4:3:3:	C[5,6]-4:C[5]-4:C[5a]-3:H-1:	C[3,5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:C[5a]-3:C[5a]-3:	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]HO)(C[5a]C[5a]2)(H)	C[5,6](C[3,5,6]C[3,5]C[6,6]O[3])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3)	C[5a](C[5]C[5,6]C[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]HO)(C[5a]C[5a]2)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[5,6](C[3,5,6]C[3,5]C[6,6]O[3])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5a](C[5]C[5,6]C[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|O<2>,2|H<1>,4|C<4>}	117.6870	0.000	1	117.6870	0.000	1	116.2700	0.999	4	116.2700	0.999	4	116.8748	3.067	46	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:4:1:	3:3:4:1:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a,6a]-3:C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])2(C[5]C[5,6a]2H)(H)	C[5](C[5,6a]C[6a,6a]C[5,6a])2(C[5]C[5,6a]2H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])2(C[5]C[5,6a]2H)(H){10|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])2(C[5]C[5,6a]2H)(H){10|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[5]H){2|H<1>,8|C<3>}	110.8178	1.051	4	110.8178	1.104	4	110.8178	1.104	4	110.8178	1.104	4	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:4:1:	3:3:4:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:Br-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:Br-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2Br)(Br)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2Br)(Br)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]Br)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2Br)(Br){2|H<1>,8|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2Br)(Br){2|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]Br)(C[6a]C[6a]H){1|Br<1>,2|H<1>,5|C<3>}	112.6175	3.051	4	112.6175	9.310	4	112.6175	9.310	4	112.8350	5.321	8	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:4:1:	3:3:4:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2H)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2H)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2H)(H){2|H<1>,2|N<2>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2H)(H){2|H<1>,2|N<2>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	113.0525	1.726	4	113.0525	2.979	4	113.0525	2.979	4	112.8350	5.321	8	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:4:1:	3:3:4:4:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2C)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2H)(CCHH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2C)(H){2|H<1>,8|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2H)(CCHH){2|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	114.6935	2.000	2	114.6935	4.002	2	114.6935	4.002	2	114.6935	4.002	2	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:4:2:	3:3:4:2:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:O-2:	C[5,6a]-3:C[5,6a]-3:C[5]-4:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2O)(OH)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2O)(OH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2O)(OH){2|H<1>,8|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2O)(OH){2|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	112.0525	0.912	8	112.0525	0.833	8	112.0525	0.833	8	112.0525	0.833	8	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:4:2:	4:4:3:1:	3:4:2:	C[5,6a]-3:C[5,6a]-3:C[5]-4:O-2:	C[5]-4:C[5]-4:C[5]-3:F-1:	N[5,6a]-3:C[5]-4:N[6a]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(C[5]C[5]2F)(OH)	C[5](C[5]C[5,6a]2O)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(F)	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(N[6a]C[6a,6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(C[5]C[5]2F)(OH){1|O<1>,3|H<1>,6|C<3>}	C[5](C[5]C[5,6a]2O)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(F){1|N<2>,1|N<3>,4|C<3>}	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(N[6a]C[6a,6a]){1|C<4>,1|F<1>,1|O<1>,5|C<3>}	109.6420	0.000	1	109.6420	0.000	1	109.6420	0.000	1	109.6420	0.000	1	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:4:2:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:O-2:	C[5]-4:C[5]-4:C[5]-3:F-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(C[5]C[5]2F)(OH)	C[5](C[5]C[5,6a]2O)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(F)	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(C[5]C[5]2F)(OH){1|O<1>,3|H<1>,6|C<3>}	C[5](C[5]C[5,6a]2O)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(F){1|N<2>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[6a]C[6a]H){1|C<4>,1|F<1>,1|N<2>,2|H<1>,3|C<3>}	114.5190	0.000	1	114.5190	0.000	1	114.5190	0.000	1	114.5190	0.000	1	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:4:3:	3:3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N-3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2N)(NNiC)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2N)(NNiC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]N)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2N)(NNiC){2|H<1>,8|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2N)(NNiC){2|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]N)(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	110.4100	1.682	8	110.4100	2.830	8	110.8369	2.410	12	110.8369	2.410	12	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:4:3:	3:3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N-3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2N)(NPtN)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2N)(NPtN)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]N)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2N)(NPtN){2|H<1>,8|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2N)(NPtN){2|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]N)(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	111.6908	0.880	4	111.6908	0.775	4	110.8369	2.410	12	110.8369	2.410	12	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:4:3:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[5a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)	C[5](C[5]C[5,6a]C[5a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]2)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O){1|C<4>,1|O<1>,2|H<1>,2|N<3>,6|C<3>}	C[5](C[5]C[5,6a]C[5a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	111.1270	0.000	1	111.1270	0.000	1	111.1270	0.000	1	111.1270	0.000	1	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:4:3:	4:4:3:1:	3:4:3:	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[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]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[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]2)(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)(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[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	110.8600	0.000	1	110.8600	0.000	1	112.1490	3.111	3	112.1490	3.111	3	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:4:3:	4:4:3:1:	3:4:3:	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[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]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[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]2)(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)(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[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	114.1590	0.000	1	114.1590	0.000	1	112.1490	3.111	3	112.1490	3.111	3	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:4:3:	4:4:3:1:	3:4:3:	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[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]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[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,3|C<3>,4|H<1>}	111.4280	0.000	1	111.4280	0.000	1	112.1490	3.111	3	112.1490	3.111	3	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:4:4:	3:3:4:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2H)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2H)(CCHH){2|H<1>,8|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2C)(H){2|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[6a]C[6a]H){3|H<1>,5|C<3>}	110.6845	1.616	2	110.6845	2.611	2	110.6845	2.611	2	110.6845	2.611	2	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:4:4:	3:3:4:4:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2C)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2C)(CCHH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2C)(CCHH){2|H<1>,8|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2C)(CCHH){2|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	109.6670	1.008	4	109.6670	1.016	4	109.6670	1.016	4	109.6670	1.016	4	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:1:	3:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]H)(O[5]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O[5]H)(N[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]O[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]H)(O[5]C[5])(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]O[5]H)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	112.2470	0.000	1	112.2470	0.000	1	112.2470	0.000	1	112.2470	0.000	1	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:4:	4:4:2:1:	3:4:3:	C[5,6a]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]H)(O[5]C[5])(CCHH)	C[5](C[5]C[5,6a]O[5]C)(C[5]O[5]HH)(O[5]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]O[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]H)(O[5]C[5])(CCHH){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]O[5]C)(C[5]O[5]HH)(O[5]C[5])(H){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]O[5]C)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|H<1>,2|O<2>}	110.2000	0.000	1	110.2000	0.000	1	110.2000	0.000	1	110.2000	0.000	1	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	3:4:2:1:	3:4:3:	C[5,6a]-3:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O[5]H)(N[5]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]H)(O[5]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]H)(O[5]C[5])(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	115.5610	0.000	1	115.5610	0.000	1	115.5610	0.000	1	115.5610	0.000	1	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	3:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]2H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[5]C)(H){1|H<1>,2|C<4>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[5]C)(H){1|H<1>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]2H){2|C<4>,3|C<3>,3|H<1>}	113.9775	0.199	2	113.9775	0.039	2	115.4178	2.625	6	115.4178	2.625	6	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	3:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	117.0150	0.000	1	117.2545	0.115	2	115.4178	2.625	6	115.4178	2.625	6	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	3:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|O<1>,3|H<1>,4|C<3>}	117.4940	0.000	1	117.2545	0.115	2	115.4178	2.625	6	115.4178	2.625	6	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	3:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]S)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]S)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]S)(H){1|C<4>,1|H<1>,1|N<3>,1|S<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]S)(H){1|C<4>,1|H<1>,1|N<3>,1|S<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|S<1>,3|C<3>,3|H<1>}	115.0215	1.327	2	115.0215	1.762	2	115.4178	2.625	6	115.4178	2.625	6	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	3:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]H)(N[5]B[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]H)(N[5]B[5]C)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]H)(N[5]B[5]C)(H){1|B<3>,1|C<4>,1|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]H)(N[5]B[5]C)(H){1|B<3>,1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	109.7715	2.651	4	109.7715	7.029	4	109.7715	7.029	4	109.7715	7.029	4	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	3:4:3:2:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-3:F-1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(F)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]F)(C[5]N[5]O)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2F)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(F){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]F)(C[5]N[5]O)(OH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2F){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	117.3650	0.000	1	117.3650	0.000	1	117.3650	0.000	1	116.4678	5.538	6	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	3:4:3:2:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(OH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|H<1>,1|O<1>,2|O<2>,3|C<3>}	117.6070	0.000	2	116.2884	6.681	5	116.2884	6.681	5	116.4678	5.538	6	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	3:4:3:2:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(OH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	113.2210	0.000	1	116.2884	6.681	5	116.2884	6.681	5	116.4678	5.538	6	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	3:4:3:2:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(OH){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	119.1250	0.000	1	116.2884	6.681	5	116.2884	6.681	5	116.4678	5.538	6	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	3:4:3:2:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(OH){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	113.8820	0.000	1	116.2884	6.681	5	116.2884	6.681	5	116.4678	5.538	6	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:3:2:4:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:O[5]-2:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(C[5]N[5]O)(H)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]C)(O[5]C[5,6a])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(C[5]N[5]O)(H){1|C<4>,1|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]C)(O[5]C[5,6a])(CH3){1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	117.1380	0.000	1	117.1380	0.000	1	117.1380	0.000	1	117.1380	0.000	1	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:N[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(C[5]N[5]O)(H)	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,5]C[6a])(C[5]C[5]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(C[5]N[5]O)(H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,5]C[6a])(C[5]C[5]N)(H){1|N<3>,1|O<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	115.3140	0.000	1	115.3140	0.000	1	115.3140	0.000	1	115.3140	0.000	1	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:3:3:3:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-3:F-1:	C[5]-4:C[5]-3:C[5]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2N)(C[5]N[5]O)(F)	C[5](C[5]C[5,6a]C[5]F)(C[5]N[5]C)(C[5]N[5]O)(NC[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2F)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2N)(C[5]N[5]O)(F){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6a]C[5]F)(C[5]N[5]C)(C[5]N[5]O)(NC[6a]H){1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2F){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	115.4890	0.000	1	115.4890	0.000	1	115.4890	0.000	1	115.4890	0.000	1	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(H)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5]HH)(C[5]O[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5]HH)(C[5]O[5]C)(H){1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	116.7220	0.000	1	116.0500	1.209	3	116.0500	1.209	3	116.0500	1.209	3	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(H)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5]HH)(C[5]O[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(H){1|O<2>,4|C<3>,4|H<1>}	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5]HH)(C[5]O[5]C)(H){1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	115.7140	1.319	2	116.0500	1.209	3	116.0500	1.209	3	116.0500	1.209	3	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]C[5]S)(H)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5]HH)2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]C[5]S)(H){2|C<4>,3|C<3>,5|H<1>}	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5]HH)2(H){1|S<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|O<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	116.7480	0.000	1	116.7480	0.000	1	116.8960	0.044	2	116.8960	0.044	2	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(H)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[6a]N[5]O)(C[5]C[5]CH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(H){1|C<2>,1|C<4>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	117.0440	0.000	1	117.0440	0.000	1	116.8960	0.044	2	116.8960	0.044	2	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:4:4:1:	3:4:3:	C[5,6a]-3:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5]H)(N[5]S[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[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5]H)(N[5]S[5]H)(H){2|H<1>,2|O<1>,7|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]N[5]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[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<1>,4|H<1>}	116.8720	0.000	1	116.8720	0.000	1	116.8720	0.000	1	116.8720	0.000	1	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:2:	3:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5,6a]-3:C[5]-4:C[5]-3:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]F)(C[5]N[5]O)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(F)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]F)(C[5]N[5]O)(OH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(F){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|C<4>,1|F<1>,1|O<1>,2|H<1>,3|C<3>}	112.4530	0.000	1	112.4530	0.000	1	112.4530	0.000	1	114.2570	1.653	6	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:2:	3:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(OH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	114.1840	0.930	3	114.6178	1.090	5	114.6178	1.090	5	114.2570	1.653	6	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:2:	3:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(OH){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|O<1>,3|H<1>,4|C<3>}	116.0490	0.000	1	114.6178	1.090	5	114.6178	1.090	5	114.2570	1.653	6	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:2:	3:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(OH){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|O<1>,3|C<3>,4|H<1>}	114.4880	0.000	1	114.6178	1.090	5	114.6178	1.090	5	114.2570	1.653	6	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:2:	3:4:3:2:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(OC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(OC){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(OH){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	112.1810	0.000	1	112.1810	0.000	1	112.4027	1.376	4	112.4027	1.376	4	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:2:	3:4:3:2:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(OC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(OH){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(OC){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	112.7300	0.000	1	112.7300	0.000	1	112.4027	1.376	4	112.4027	1.376	4	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:2:	3:4:3:2:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(OH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(OH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	112.3500	1.991	2	112.3500	3.965	2	112.4027	1.376	4	112.4027	1.376	4	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:2:	3:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]O[5]ClH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(OH){1|Cl<1>,1|O<2>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]O[5]ClH)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	116.3350	0.000	1	116.3350	0.000	1	116.3350	0.000	1	116.3350	0.000	1	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:2:	4:2:3:4:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:O[5]-2:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(C[5]N[5]O)(OH)	C[5](C[5]C[5,6a]C[5]O)(O[5]C[5,5])(C[5]C[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(C[5]N[5]O)(OH){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5]O)(O[5]C[5,5])(C[5]C[5]H)(CH3){1|N<3>,1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	112.3590	0.000	1	112.3590	0.000	1	112.3590	0.000	1	112.3590	0.000	1	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:2:	4:3:2:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-3:S[5]-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5]H)(C[5]N[5]O)(OH)	C[5](C[5]C[5,6a]C[5]O)(C[5]N[5]O)(S[5]C[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5]H)(C[5]N[5]O)(OH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5]O)(C[5]N[5]O)(S[5]C[5])(H){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|C<4>,1|O<1>,1|S<2>,2|C<3>,3|H<1>}	112.0135	0.964	2	112.0135	0.929	2	112.0135	0.929	2	112.0135	0.929	2	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:2:	4:3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(C[5]N[5]O)(OH)	C[5](C[5]C[5,6a]C[5]O)(C[5]N[5]O)(N[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(C[5]N[5]O)(OH){1|C<4>,1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5]O)(C[5]N[5]O)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	110.5900	0.000	1	112.4910	2.751	3	112.4910	2.751	3	112.4910	2.751	3	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:2:	4:3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(C[5]N[5]O)(OH)	C[5](C[5]C[5,6a]C[5]O)(C[5]N[5]O)(N[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(C[5]N[5]O)(OH){1|C<4>,1|N<2>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5]O)(C[5]N[5]O)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	113.6430	0.000	1	112.4910	2.751	3	112.4910	2.751	3	112.4910	2.751	3	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:2:	4:3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(C[5]N[5]O)(OH)	C[5](C[5]C[5,6a]C[5]O)(C[5]N[5]O)(N[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(C[5]N[5]O)(OH){1|H<1>,1|N<2>,1|O<1>,2|C<4>,3|C<3>}	C[5](C[5]C[5,6a]C[5]O)(C[5]N[5]O)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|Br<1>,1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	113.2400	0.000	1	112.4910	2.751	3	112.4910	2.751	3	112.4910	2.751	3	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:2:	4:3:4:4:	3:4:3:	C[5,6a]-3:C[5]-4:N[5]-3:O-2:	C[5]-4:C[6a]-3:C[5]-4:C[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]2)(N[5]C[5]C)(OH)	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]O)(C[6a]C[6a]Cl)	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[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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]O)(C[6a]C[6a]Cl){2|Cl<1>,1|O<1>,2|C<3>,3|C<4>}	111.6270	0.512	2	111.6270	0.262	2	111.6270	0.262	2	111.6270	0.262	2	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:2:	4:4:2:4:	3:4:3:	C[5,6a]-3:C[5]-4:N[5]-3:O-2:	C[5]-4:C[5]-4:N[5]-2:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]C)(N[5]C[5]C)(OH)	C[5](C[5]C[5,6a]N[5]O)(C[5]S[5]HO)(N[5]C[5])(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]O)(C[6a]C[6a]Cl)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]C)(N[5]C[5]C)(OH){1|Cl<1>,1|H<1>,1|O<1>,1|O<2>,1|S<2>,3|C<3>}	C[5](C[5]C[5,6a]N[5]O)(C[5]S[5]HO)(N[5]C[5])(CH3){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]O)(C[6a]C[6a]Cl){2|Cl<1>,1|C<3>,1|N<2>,1|O<1>,3|C<4>}	111.7700	0.000	1	111.7700	0.000	1	111.7700	0.000	1	111.7700	0.000	1	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:2:	4:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-4:C[5]-3:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(C[5]N[5]O)(OH)	C[5](C[5]C[5,6a]C[5]O)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(F)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(C[5]N[5]O)(OH){1|O<1>,4|C<3>,4|H<1>}	C[5](C[5]C[5,6a]C[5]O)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(F){1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|Cl<1>,1|C<4>,1|F<1>,1|O<1>,2|C<3>,2|H<1>}	110.9780	0.000	1	110.9780	0.000	1	110.9780	0.000	1	113.6735	14.531	2	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:2:	4:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(OC)	C[5](C[5]C[5,6a]C[5]O)(C[5]C[5]HH)(C[5]C[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(OC){2|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5,6a]C[5]O)(C[5]C[5]HH)(C[5]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	116.3690	0.000	1	116.3690	0.000	1	116.3690	0.000	1	113.6735	14.531	2	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:2:	4:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-4:C[5]-4:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(C[5]N[5]O)(OH)	C[5](C[5]C[5,6a]C[5]O)(C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(F)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(C[5]N[5]O)(OH){1|O<2>,4|C<3>,5|H<1>}	C[5](C[5]C[5,6a]C[5]O)(C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(F){1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|C<3>,1|F<1>,1|O<1>,2|C<4>,3|H<1>}	110.2630	0.000	1	110.2630	0.000	1	110.2630	0.000	1	110.2630	0.000	1	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:2:	4:4:4:3:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5,5]-4:C[5]-4:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5]C)(C[5]N[5]O)(OH)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,6a]C[5]O)(C[5]C[5,5]HH)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5]C)(C[5]N[5]O)(OH){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,6a]C[5]O)(C[5]C[5,5]HH)(COO){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	113.8730	0.000	1	113.8730	0.000	1	113.8730	0.000	1	113.8730	0.000	1	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:3:	3:4:3:3:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-3:N-3:	C[5,6a]-3:C[5]-4:C[5]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]N)(C[5]N[5]O)(NCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]N)(C[5]N[5]O)(NCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]N)(C[5]N[5]O)(NCH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]N)(C[5]N[5]O)(NCH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N){1|Br<1>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	111.8050	0.185	2	113.2465	2.895	4	113.2465	2.895	4	113.2465	2.895	4	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:3:	3:4:3:3:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-3:N-3:	C[5,6a]-3:C[5]-4:C[5]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]N)(C[5]N[5]O)(NCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]N)(C[5]N[5]O)(NCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]N)(C[5]N[5]O)(NCH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]N)(C[5]N[5]O)(NCH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	114.6880	0.583	2	113.2465	2.895	4	113.2465	2.895	4	113.2465	2.895	4	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:3:	3:4:3:4:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-3:N-3:	C[5,6a]-3:C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]N[5]O)(NCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]N)(C[5]S[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]N[5]O)(NCH){1|C<4>,1|H<1>,1|O<1>,1|S<2>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]N)(C[5]S[5]O)(CC[6a]HH){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	113.8330	0.000	1	113.8330	0.000	1	113.8330	0.000	1	113.8330	0.000	1	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:3:	4:3:2:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]H)(C[5]N[5]O)(CCC)	C[5](C[5]C[5,6a]C[5]C)(C[5]C[6a]N[5])(O[5]S[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]H)(C[5]N[5]O)(CCC){1|C<4>,1|H<1>,1|N<2>,1|S<4>,3|C<3>}	C[5](C[5]C[5,6a]C[5]C)(C[5]C[6a]N[5])(O[5]S[5])(H){1|N<3>,3|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	113.5520	0.748	2	113.5520	0.560	2	113.5520	0.560	2	113.5520	0.560	2	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:3:	4:3:2:3:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-3:N-3:	C[5]-4:C[5]-3:O[5]-2:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(C[5]N[5]O)(NCH)	C[5](C[5]C[5,6a]C[5]N)(C[5]C[5,6a]O)(O[5]C[5,6a])(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(C[5]N[5]O)(NCH){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5]N)(C[5]C[5,6a]O)(O[5]C[5,6a])(COO){1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	110.6410	0.000	1	111.7430	2.429	2	111.7430	2.429	2	111.7430	2.429	2	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:3:	4:3:2:3:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-3:N-3:	C[5]-4:C[5]-3:O[5]-2:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(C[5]N[5]O)(NCH)	C[5](C[5]C[5,6a]C[5]N)(C[5]C[5,6a]O)(O[5]C[5,6a])(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(C[5]N[5]O)(NCH){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5]N)(C[5]C[5,6a]O)(O[5]C[5,6a])(COO){1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	112.8450	0.000	1	111.7430	2.429	2	111.7430	2.429	2	111.7430	2.429	2	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:3:	4:3:2:4:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:O[5]-2:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(C[5]N[5]O)(CCC)	C[5](C[5]C[5,6a]C[5]C)(C[5]C[5]H)(O[5]C[5])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(C[5]N[5]O)(CCC){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5]C)(C[5]C[5]H)(O[5]C[5])(CH3){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	111.3140	0.000	1	111.3140	0.000	1	111.3140	0.000	1	112.0572	0.530	4	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:3:	4:3:2:4:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-3:N-3:	C[5]-4:C[5]-3:O[5]-2:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(C[5]N[5]O)(NHS)	C[5](C[5]C[5,6a]C[5]N)(C[5]C[5]H)(O[5]C[5])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(C[5]N[5]O)(NHS){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5]N)(C[5]C[5]H)(O[5]C[5])(CH3){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	113.0390	0.000	1	113.0390	0.000	1	113.0390	0.000	1	112.0572	0.530	4	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:3:	4:3:2:4:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-3:N-3:	C[5]-4:C[5]-3:S[5]-2:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5]C)(C[5]N[5]O)(NCH)	C[5](C[5]C[5,6a]C[5]N)(C[5]N[5]O)(S[5]C[5])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5]C)(C[5]N[5]O)(NCH){1|C<4>,1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5]N)(C[5]N[5]O)(S[5]C[5])(CH3){1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N){1|O<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	112.0860	0.000	1	111.9380	0.044	2	111.9380	0.044	2	112.0572	0.530	4	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:3:	4:3:2:4:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-3:N-3:	C[5]-4:C[5]-3:S[5]-2:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5]C)(C[5]N[5]O)(NCH)	C[5](C[5]C[5,6a]C[5]N)(C[5]N[5]O)(S[5]C[5])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5]C)(C[5]N[5]O)(NCH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5]N)(C[5]N[5]O)(S[5]C[5])(CH3){1|N<3>,1|O<1>,1|S<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N){1|O<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	111.7900	0.000	1	111.9380	0.044	2	111.9380	0.044	2	112.0572	0.530	4	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:3:	4:3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-3:N-3:	C[5]-4:C[5]-3:C[5]-3:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(C[5]N[5]O)(NCH)	C[5](C[5]C[5,6a]C[5]N)(C[5]C[6a]N[5])(C[5]N[5]O)(F)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(C[5]N[5]O)(NCH){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5]N)(C[5]C[6a]N[5])(C[5]N[5]O)(F){1|N<3>,1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N){1|C<4>,1|F<1>,1|O<1>,2|H<1>,3|C<3>}	113.1300	0.000	1	113.1300	0.000	1	113.1300	0.000	1	113.1300	0.000	1	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:3:	4:3:3:3:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-3:N-3:	C[5]-4:C[5]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)(C[5]N[5]O)(NCH)	C[5](C[5]C[5,6a]C[5]N)(C[5]C[5,6a]H)(C[5]C[5,6a]O)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)(C[5]N[5]O)(NCH){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5]N)(C[5]C[5,6a]H)(C[5]C[5,6a]O)(COO){1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	110.7140	0.000	1	110.7140	0.000	1	110.7140	0.000	1	110.7140	0.000	1	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:3:	4:3:3:3:	3:4:3:	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[5,6a]-3:C[5]-4: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[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	113.8440	0.000	1	113.8440	0.000	1	113.8440	0.000	1	113.8440	0.000	1	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:3:	4:3:4:1:	3:4:3:	C[5,6a]-3:C[5]-4:N[5a]-3:C[5]-3:	C[5]-4:C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(N[5a]C[5a]2)(C[5]N[5]O)	C[5](C[5]C[5,6a]N[5a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]O[5]HN)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]2)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(N[5a]C[5a]2)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<2>,4|H<1>,6|C<3>}	C[5](C[5]C[5,6a]N[5a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]O[5]HN)(H){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]2)(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	112.5395	0.644	2	112.5395	0.415	2	112.5395	0.415	2	112.5395	0.415	2	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:3:	4:3:4:2:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-3:N-3:	C[5]-4:C[5]-3:C-4:N[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]C)(C[5]N[5]O)(NCH)	C[5](C[5]C[5,6a]C[5]N)(C[5]O[5]O)(CC[6a]HH)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]C)(C[5]N[5]O)(NCH){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5](C[5]C[5,6a]C[5]N)(C[5]O[5]O)(CC[6a]HH)(N[5]C[5]){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N){1|F<1>,1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|C<4>}	114.3940	0.000	1	114.3940	0.000	1	114.3940	0.000	1	114.3940	0.000	1	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:3:	4:4:2:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]H)(C[5]N[5]O)(CCC)	C[5](C[5]C[5,6a]C[5]C)(C[5]C[6a]N[5]H)(O[5]S[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]H)(C[5]N[5]O)(CCC){1|C<4>,1|N<3>,1|S<4>,2|H<1>,3|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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	115.7500	0.000	1	115.7500	0.000	1	115.7500	0.000	1	115.7500	0.000	1	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:3:	4:4:2:4:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-3:N-3:	C[5]-4:C[5]-4:O[5]-2:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(C[5]N[5]O)(NCH)	C[5](C[5]C[5,6a]C[5]N)(C[5]C[5,6a]HO)(O[5]C[5,6a])(CHHO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(C[5]N[5]O)(NCH){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5]N)(C[5]C[5,6a]HO)(O[5]C[5,6a])(CHHO){1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	112.0110	0.000	1	112.0110	0.000	1	112.0110	0.000	1	112.0110	0.000	1	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:N[5]-3:C-3:	C[5]-4:C[5]-4:C[5]-3:F-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(N[5]S[5]H)(COO)	C[5](C[5]C[5,6a]N[5]C)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(F)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5]N[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(N[5]S[5]H)(COO){3|H<1>,3|O<1>,4|C<3>}	C[5](C[5]C[5,6a]N[5]C)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(F){1|H<1>,1|S<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5]N[5]C)(C[6a]C[6a]H){1|C<4>,1|F<1>,2|C<3>,2|O<1>,3|H<1>}	111.0560	0.000	1	111.0560	0.000	1	111.0560	0.000	1	111.0560	0.000	1	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:4:	3:4:3:3:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[5]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]N)(C[5]S[5]O)(CC[6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]N[5]O)(NCH)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]N)(C[5]S[5]O)(CC[6a]HH){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]N[5]O)(NCH){1|C<4>,1|H<1>,1|O<1>,1|S<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	111.9920	0.000	1	111.9920	0.000	1	111.9920	0.000	1	111.9920	0.000	1	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:4:	3:4:3:4:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]N[5]H)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]N[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]N[5]H)(CH3){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]N[5]O)(CC[6a]HH){1|N<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|C<4>,3|C<3>,3|H<1>}	116.1480	0.000	1	116.1480	0.000	1	111.4343	4.556	8	111.4343	4.556	8	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:4:	3:4:3:4:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]N[5]O)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]N[5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]N[5]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]N[5]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	109.5230	0.861	2	110.5712	0.997	6	111.4343	4.556	8	111.4343	4.556	8	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:4:	3:4:3:4:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]N[5]O)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]N[5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]N[5]O)(CCHH){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]N[5]O)(CCHH){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	111.0953	0.562	4	110.5712	0.997	6	111.4343	4.556	8	111.4343	4.556	8	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:4:	3:4:3:4:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]N[5]O)(CC[6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]N[5]O)(CC[6a]HH){1|N<2>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]N[5]H)(CH3){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	111.8990	0.000	1	111.8990	0.000	1	111.4343	4.556	8	111.4343	4.556	8	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:4:	4:3:3:2:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(C[5]N[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]C[5]C)(C[5]C[5,6a]O)2(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(C[5]N[5]O)(CC[6a]HH){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5]C)(C[5]C[5,6a]O)2(OH){1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	112.6400	0.000	1	112.6400	0.000	1	112.6400	0.000	1	112.6400	0.000	1	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:4:	4:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]C[5]C)(C[5]C[5]HH)(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(CC[6a]HH){1|C<4>,3|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[5]C)(C[5]C[5]HH)(C[5]C[5]C)(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	111.5870	0.000	1	111.5870	0.000	1	111.4267	1.142	3	111.4267	1.142	3	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:4:	4:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]C[5]C)(C[5]C[5]HH)(C[5]N[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(CC[6a]HH){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[5]C)(C[5]C[5]HH)(C[5]N[5]O)(H){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	112.4060	0.000	1	111.3465	2.245	2	111.4267	1.142	3	111.4267	1.142	3	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:4:	4:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]C[5]C)(C[5]C[5]HH)(C[5]N[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(CC[6a]HH){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5](C[5]C[5,6a]C[5]C)(C[5]C[5]HH)(C[5]N[5]O)(H){1|N<3>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	110.2870	0.000	1	111.3465	2.245	2	111.4267	1.142	3	111.4267	1.142	3	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	3:4:3:2:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]O[5]ClH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(OH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]O[5]ClH)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(OH){1|Cl<1>,1|O<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|Cl<1>,1|O<2>,3|C<3>,3|H<1>}	115.0900	0.000	1	115.0900	0.000	1	115.0900	0.000	1	115.0900	0.000	1	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	3:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5,6]H)(C[5]C[5]CH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5]C[5,6a]C[5]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5,6]H)(C[5]C[5]CH)(H){2|C<4>,3|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5]C[5,6a]C[5]H)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2H){2|C<4>,3|C<3>,5|H<1>}	114.1630	0.484	2	114.1630	0.234	2	114.1630	0.234	2	113.5176	3.221	24	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	3:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)2(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(H){1|C<4>,2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)2(H){2|C<4>,3|H<1>,7|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]2H){2|C<4>,3|H<1>,4|C<3>}	110.8870	0.420	2	110.8870	0.176	2	113.3546	6.354	8	113.5176	3.221	24	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	3:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)2(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H){1|C<4>,2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)2(H){1|C<4>,4|H<1>,7|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,4|C<3>,4|H<1>}	115.1800	0.689	2	115.1800	0.474	2	113.3546	6.354	8	113.5176	3.221	24	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	3:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)2(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)2(H){2|C<4>,3|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(H){1|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]2H){2|C<4>,3|H<1>,4|C<3>}	113.8305	2.826	2	113.8305	7.988	2	113.3546	6.354	8	113.5176	3.221	24	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	3:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)2(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)2(H){1|C<4>,4|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H){1|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]2H){2|C<4>,3|H<1>,4|C<3>}	113.5210	4.060	2	113.5210	16.485	2	113.3546	6.354	8	113.5176	3.221	24	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	3:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[5]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[5]HH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]2H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[5]HH)(H){1|Br<1>,1|O<1>,2|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[5]HH)(H){1|Br<1>,1|O<1>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]2H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	113.4892	1.380	4	113.4892	1.905	4	113.5185	2.179	14	113.5176	3.221	24	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	3:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[6a]N[5]H)(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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	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[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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	114.8435	0.779	4	113.6598	3.917	6	113.5185	2.179	14	113.5176	3.221	24	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	3:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[6a]N[5]H)(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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	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[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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,4|C<3>,4|H<1>}	111.2925	0.974	2	113.6598	3.917	6	113.5185	2.179	14	113.5176	3.221	24	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	3:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[6a]O[5]H)(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[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]2H)	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[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[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,3|C<3>,4|H<1>}	113.3357	0.961	4	113.3357	0.923	4	113.5185	2.179	14	113.5176	3.221	24	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	3:4:4:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5,6]H)(C[5]C[5]CH)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5]C[5,6a]C[5]H)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5,6]H)(C[5]C[5]CH)(H){2|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[5]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,5|H<1>}	113.1695	1.384	2	113.1695	1.915	2	113.1695	1.915	2	113.4877	2.351	6	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	3:4:4:1:	3:4:3:	C[5,6a]-3:C[5]-4:N[5]-4:H-1:	C[5,6a]-3:C[5]-4:N[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]H)(N[5]C[5]RuH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]H)(N[5]C[5]RuH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]H)(N[5]C[5]RuH)(H){1|C<4>,4|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]H)(N[5]C[5]RuH)(H){1|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|Ru<6>,1|N<4>,2|C<3>,6|H<1>}	114.0115	2.983	2	114.0115	8.900	2	114.0115	8.900	2	113.4877	2.351	6	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	3:4:4:1:	3:4:3:	C[5,6a]-3:C[5]-4:P[5]-4:H-1:	C[5,6a]-3:C[5]-4:P[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]P[5]H)(P[5]C[5]FeC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]P[5]H)(P[5]C[5]FeC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]P[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]P[5]H)(P[5]C[5]FeC)(H){2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]P[5]H)(P[5]C[5]FeC)(H){2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]P[5]H)(C[6a]C[6a]H){1|Fe<4>,1|C<4>,1|P<4>,2|C<3>,5|H<1>}	113.2820	0.324	2	113.2820	0.105	2	113.2820	0.105	2	113.4877	2.351	6	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:3:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6a]C[5]H)(N[5]C[6a]C[5])(C[5]C[5]HH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(C[5]C[5]HH)(H){2|C<4>,3|C<3>,5|H<1>}	C[5](C[5]C[5,6a]C[5]H)(N[5]C[6a]C[5])(C[5]C[5]HH)(H){1|C<4>,4|C<3>,6|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<3>,1|C<4>,1|N<3>,7|H<1>}	116.1050	0.086	2	113.6188	8.332	4	113.6188	8.332	4	113.6188	8.332	4	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:3:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6a]C[5]H)(N[5]C[6a]C[5])(C[5]C[5]HH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(C[5]C[5]HH)(H){2|C<4>,3|C<3>,5|H<1>}	C[5](C[5]C[5,6a]C[5]H)(N[5]C[6a]C[5])(C[5]C[5]HH)(H){1|C<4>,5|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<3>,1|C<4>,1|N<3>,7|H<1>}	111.1325	0.513	2	113.6188	8.332	4	113.6188	8.332	4	113.6188	8.332	4	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:4:2:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]H)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5]HH)(O[5]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]H)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,3|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<3>,1|C<4>,1|O<2>,7|H<1>}	114.7320	0.000	1	114.7320	0.000	1	114.7320	0.000	1	114.7320	0.000	1	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]C[5]CH)(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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]C[5]CH)(H){1|C<4>,1|O<2>,4|C<3>,5|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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	114.2670	0.000	1	114.2670	0.000	1	115.3550	0.966	3	115.3550	0.966	3	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]C[5]CH)(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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]C[5]CH)(H){5|C<3>,6|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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<3>,3|C<4>,6|H<1>}	115.8990	0.395	2	115.8990	0.156	2	115.3550	0.966	3	115.3550	0.966	3	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:2:	4:4:4:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-2:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(C[5]C[5]2H)(CN)	C[5](C[5]C[5,6a]C[5,5]C)(C[5]C[5]HH)2(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(C[5]C[5]2H)(CN){2|C<3>,4|C<4>,8|H<1>}	C[5](C[5]C[5,6a]C[5,5]C)(C[5]C[5]HH)2(H){2|C<3>,2|C<4>,5|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[5]C)(C[6a]C[6a]H){1|C<3>,4|C<4>,5|H<1>}	115.1540	0.000	1	115.1540	0.000	1	115.1540	0.000	1	115.1540	0.000	1	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:3:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[6]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]S[6]H)(C[5]C[5]2H)(C[5]N[5]O)	C[5](C[5]C[5,6a]C[5]C[6])(C[5]C[5,6a]O)2(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]2C[6])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]S[6]H)(C[5]C[5]2H)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,2|O<1>,6|C<3>}	C[5](C[5]C[5,6a]C[5]C[6])(C[5]C[5,6a]O)2(H){1|H<1>,1|N<3>,1|O<1>,1|S<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]2C[6])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<4>,3|H<1>,4|C<3>}	111.7270	0.000	1	111.7270	0.000	1	111.7270	0.000	1	111.7270	0.000	1	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	4:3:3:1:	3:3:4:3:	3:3:4:	C[5]-4:C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,6a]C[5a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[5a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O){1|C<4>,1|O<1>,2|H<1>,2|N<3>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	113.3570	0.000	1	113.3570	0.000	1	113.3570	0.000	1	113.3570	0.000	1	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	4:3:3:3:	3:4:3:3:	3:3:4:	C[5]-4:C[5,6a]-3:C[5]-3:N-3:	C[5,6a]-3:C[5]-4:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	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[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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N)	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[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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	112.7600	0.000	1	112.7600	0.000	1	112.7600	0.000	1	112.7600	0.000	1	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	4:3:3:3:	4:3:3:3:	3:4:3:	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[5,6a]-3:C[5]-4: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[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	111.5070	1.532	2	109.7880	5.127	4	109.8465	3.192	6	109.8465	3.192	6	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	4:3:3:3:	4:3:3:3:	3:4:3:	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[5,6a]-3:C[5]-4: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[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,7|C<3>}	108.0690	1.103	2	109.7880	5.127	4	109.8465	3.192	6	109.8465	3.192	6	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	4:3:3:3:	4:3:3:3:	3:4:3:	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[5,6a]-3:C[5]-4: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[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	109.9635	0.732	2	109.9635	0.536	2	109.8465	3.192	6	109.8465	3.192	6	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	4:3:4:1:	3:4:3:3:	3:3:4:	C[5]-4:C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:N[5a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,6a]N[5a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]O[5]HN)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(N[5a]C[5a]2)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5]C[5,6a]N[5a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]O[5]HN)(H){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(N[5a]C[5a]2)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<2>,4|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|Cl<1>,2|H<1>,2|N<3>,3|C<3>}	114.4105	0.023	2	114.4105	0.001	2	114.4105	0.001	2	114.4105	0.001	2	112.8761	5.406	184	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:3:4:1:	4:2:1:1:	4:3:2:	C[5a]-3:N[5]-3:C[5]-4:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:N[5a]-3:N[5a]-2:	C[5](C[5a]N[5a]2)(N[5]C[5,5]H)(C[5]S[5]HH)(H)	C[5](C[5]C[5a]N[5]H)(S[5]C[5,5])(H)2	C[5a](C[5]C[5]N[5]H)(N[5a]N[5a]C)(N[5a]N[5a])	C[5](C[5a]N[5a]2)(N[5]C[5,5]H)(C[5]S[5]HH)(H){1|C<4>,2|C<3>,2|N<2>}	C[5](C[5]C[5a]N[5]H)(S[5]C[5,5])(H)2{1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5]C[5]N[5]H)(N[5a]N[5a]C)(N[5a]N[5a]){1|C<4>,1|S<2>,3|H<1>}	112.7250	0.000	1	112.7250	0.000	1	112.7250	0.000	1	112.7250	0.000	1	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:3:4:1:	4:3:1:1:	3:4:3:	N[5]-3:C[5a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5a]-3:C[5]-4:C[5a]-3:	C[5](N[5]C[5a]N[5])(C[5a]C[5a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]N[5])(H)2	C[5a](C[5a]C[5a]N[5a])(C[5]C[5]N[5]H)(C[5a]N[5a]H)	C[5](N[5]C[5a]N[5])(C[5a]C[5a]2)(C[5]C[5]HH)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>,2|N<2>}	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]N[5])(H)2{5|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5]C[5]N[5]H)(C[5a]N[5a]H){2|H<1>,2|N<2>,4|C<3>}	112.4867	0.270	3	112.4867	0.073	3	113.0788	0.705	5	113.0788	0.705	5	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:3:4:1:	4:3:1:1:	3:4:3:	N[5]-3:C[5a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5a]-3:C[5]-4:C[5a]-3:	C[5](N[5]C[6a]N[5])(C[5a]C[5a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]N[5])(H)2	C[5a](C[5a]C[6a]N[5a])(C[5]C[5]N[5]H)(C[5a]N[5a]H)	C[5](N[5]C[6a]N[5])(C[5a]C[5a]2)(C[5]C[5]HH)(H){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]N[5])(H)2{5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5]C[5]N[5]H)(C[5a]N[5a]H){1|N<2>,2|H<1>,5|C<3>}	113.9670	0.206	2	113.9670	0.043	2	113.0788	0.705	5	113.0788	0.705	5	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:3:4:1:	4:3:1:1:	4:3:2:	C[5a]-3:N[5]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5a]-3:O[5a]-2:	C[5](C[5a]C[5a]O[5a])(N[5]C[6a]N[5])(C[5]C[5]HH)(H)	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]N[5])(H)2	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[5](C[5a]C[5a]O[5a])(N[5]C[6a]N[5])(C[5]C[5]HH)(H){1|H<1>,5|C<3>}	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]N[5])(H)2{1|O<2>,4|C<3>}	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|N<2>,2|C<3>,4|H<1>}	114.2320	0.000	1	114.2320	0.000	1	114.1213	0.333	3	113.5938	1.335	4	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:3:4:1:	4:3:1:1:	4:3:2:	C[5a]-3:N[5]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5a]-3:O[5a]-2:	C[5](C[5a]C[5a]O[5a])(N[5]C[6a]N[5])(C[5]C[5]HH)(H)	C[5](C[5]C[5a]N[5]H)(C[5]N[5]C)(H)2	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[5](C[5a]C[5a]O[5a])(N[5]C[6a]N[5])(C[5]C[5]HH)(H){1|C<4>,1|H<1>,4|C<3>}	C[5](C[5]C[5a]N[5]H)(C[5]N[5]C)(H)2{1|O<2>,2|C<3>}	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|N<2>,2|C<3>,4|H<1>}	114.0660	0.805	2	114.0660	0.648	2	114.1213	0.333	3	113.5938	1.335	4	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:3:4:1:	4:3:1:1:	4:3:2:	C[5a]-3:N[5]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5](C[5a]C[5a]S[5a])(N[5]C[6a]N[5])(C[5]C[5]HH)(H)	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]N[5])(H)2	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a])	C[5](C[5a]C[5a]S[5a])(N[5]C[6a]N[5])(C[5]C[5]HH)(H){1|H<1>,5|C<3>}	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]N[5])(H)2{1|S<2>,4|C<3>}	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|N<2>,2|C<3>,4|H<1>}	112.0110	0.000	1	112.0110	0.000	1	112.0110	0.000	1	113.5938	1.335	4	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:3:4:1:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[5a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H)	C[5](C[5]C[5,6a]C[5a]H)(C[5]C[5,6a]O)(CNO)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5a]N[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5a]H)(C[5]C[5,6a]O)(CNO)(H){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5a]N[5a]H){1|C<4>,2|H<1>,6|C<3>}	114.7660	0.550	2	114.7660	0.303	2	114.7660	0.303	2	114.7660	0.303	2	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:3:4:1:	4:3:3:1:	4:3:2:	C[5a]-3:N[5]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5](C[5a]C[5a]S[5a])(N[5]C[6a]C[5])(C[5]N[5]CH)(H)	C[5](C[5]C[5a]N[5]H)(N[5]C[5]H)(COO)(H)	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a])	C[5](C[5a]C[5a]S[5a])(N[5]C[6a]C[5])(C[5]N[5]CH)(H){3|H<1>,5|C<3>}	C[5](C[5]C[5a]N[5]H)(N[5]C[5]H)(COO)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	112.8160	0.000	1	112.8160	0.000	1	112.8160	0.000	1	112.8160	0.000	1	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:3:4:1:	4:4:1:1:	3:4:3:	C[5a]-3:N[5]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](C[5a]C[5a,6a]C[5a])(N[5]C[6a]C[5])(C[5]C[5]HH)(H)	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]N[5a]C)	C[5](C[5a]C[5a,6a]C[5a])(N[5]C[6a]C[5])(C[5]C[5]HH)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]N[5a]C){2|C<4>,3|C<3>,4|H<1>}	113.9520	0.000	1	113.9520	0.000	1	113.9520	0.000	1	114.5410	0.694	2	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:3:4:1:	4:4:1:1:	3:4:3:	N[5]-3:C[5a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5a]-3:C[5]-4:C[5a]-3:	C[5](N[5]C[6a]O[5])(C[5a]C[5a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5a]N[5]H)(C[5]O[5]HO)(H)2	C[5a](C[5a]C[6a]N[5a])(C[5]C[5]N[5]H)(C[5a]N[5a]H)	C[5](N[5]C[6a]O[5])(C[5a]C[5a]2)(C[5]C[5]HH)(H){1|N<2>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5a]N[5]H)(C[5]O[5]HO)(H)2{3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5]C[5]N[5]H)(C[5a]N[5a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	115.1300	0.000	1	115.1300	0.000	1	115.1300	0.000	1	114.5410	0.694	2	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:3:4:1:	4:4:1:1:	4:3:2:	N[5,6]-3:C[5a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5a]-3:O[5a]-2:	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]O[5a])(C[5]C[5,6]HH)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]C[5a]H)(H)2	C[5a](C[5]N[5,6]C[5]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]O[5a])(C[5]C[5,6]HH)(H){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[5a]H)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5]N[5,6]C[5]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	113.1905	0.474	2	113.1778	0.367	5	113.1778	0.367	5	113.9769	1.478	17	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:3:4:1:	4:4:1:1:	4:3:2:	N[5,6]-3:C[5a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5a]-3:O[5a]-2:	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]O[5a])(C[5]C[5,6]HH)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]C[5a]H)(H)2	C[5a](C[5]N[5,6]C[5]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]O[5a])(C[5]C[5,6]HH)(H){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[5a]H)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5]N[5,6]C[5]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	113.1693	0.788	3	113.1778	0.367	5	113.1778	0.367	5	113.9769	1.478	17	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:3:4:1:	4:4:1:1:	4:3:2:	N[5,6]-3:C[5a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]S[5a])(C[5]C[5,6]HH)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]C[5a]H)(H)2	C[5a](C[5]N[5,6]C[5]H)(C[5a]C[5a]C)(S[5a]C[5a])	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]S[5a])(C[5]C[5,6]HH)(H){1|H<1>,2|C<4>,4|C<3>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]C[5a]H)(H)2{1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5]N[5,6]C[5]H)(C[5a]C[5a]C)(S[5a]C[5a]){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	115.1137	1.729	3	115.1137	2.989	3	114.3099	1.604	12	113.9769	1.478	17	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:3:4:1:	4:4:1:1:	4:3:2:	N[5,6]-3:C[5a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]S[5a])(C[5]C[5,6]HH)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]C[5a]H)(H)2	C[5a](C[5]N[5,6]C[5]H)(C[5a]C[5a]H)(S[5a]C[5a])	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]S[5a])(C[5]C[5,6]HH)(H){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[5a]H)(H)2{1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5]N[5,6]C[5]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,3|H<1>}	113.5260	0.834	5	114.0420	1.136	9	114.3099	1.604	12	113.9769	1.478	17	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:3:4:1:	4:4:1:1:	4:3:2:	N[5,6]-3:C[5a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]S[5a])(C[5]C[5,6]HH)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]C[5a]H)(H)2	C[5a](C[5]N[5,6]C[5]H)(C[5a]C[5a]H)(S[5a]C[5a])	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]S[5a])(C[5]C[5,6]HH)(H){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[5a]H)(H)2{1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5]N[5,6]C[5]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	114.6870	1.050	4	114.0420	1.136	9	114.3099	1.604	12	113.9769	1.478	17	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:3:4:1:	4:4:1:1:	4:3:3:	N[5,5]-3:C[5a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5a]-3:N[5a]-3:	C[5](N[5,5]C[5,5,6]C[5])(C[5a]C[5a]N[5a])(C[5]C[5,6]HH)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]C[5a]H)(H)2	C[5a](C[5]N[5,5]C[5]H)(C[5a]C[5a]H)(N[5a]C[5a]C)	C[5](N[5,5]C[5,5,6]C[5])(C[5a]C[5a]N[5a])(C[5]C[5,6]HH)(H){1|N<3>,3|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]C[5a]H)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>,2|N<3>}	C[5a](C[5]N[5,5]C[5]H)(C[5a]C[5a]H)(N[5a]C[5a]C){3|C<4>,4|H<1>}	112.6820	0.000	1	112.6820	0.000	1	112.6820	0.000	1	113.0670	0.296	2	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:3:4:1:	4:4:1:1:	4:3:3:	N[5,6]-3:C[5a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5a]-3:N[5a]-3:	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]N[5a])(C[5]C[5,6]HH)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]N[5,6]C[5a]H)(H)2	C[5a](C[5]N[5,6]C[5]H)(C[5a]C[5a]H)(N[5a]C[5a]C)	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]N[5a])(C[5]C[5,6]HH)(H){2|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[5a]H)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5]N[5,6]C[5]H)(C[5a]C[5a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	113.4520	0.000	1	113.4520	0.000	1	113.4520	0.000	1	113.0670	0.296	2	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:3:4:1:	4:4:2:1:	3:4:3:	N[5,5a]-3:C[5a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C[5a])(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[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]N[5,5a]C[5]H)(C[5a]N[5a]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H){1|N<3>,2|H<1>,6|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[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]N[5,5a]C[5]H)(C[5a]N[5a]H){1|C<2>,2|C<4>,2|H<1>,4|C<3>}	114.8230	0.000	1	114.8230	0.000	1	115.7610	1.760	2	115.7610	1.760	2	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:3:4:1:	4:4:2:1:	3:4:3:	N[5,5a]-3:C[5a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H)	C[5](C[5]N[5,5a]C[5a]H)(C[5]C[5,5a]CH)(CN)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]N[5,5a]C[5]H)(C[5a]N[5a]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[5](C[5]N[5,5a]C[5a]H)(C[5]C[5,5a]CH)(CN)(H){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]N[5,5a]C[5]H)(C[5a]N[5a]H){1|C<2>,2|C<4>,2|H<1>,4|C<3>}	116.6990	0.000	1	116.6990	0.000	1	115.7610	1.760	2	115.7610	1.760	2	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:3:4:1:	4:4:3:1:	3:4:3:	C[5,5a]-3:C[5a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](C[5,5a]C[5,5a]N[5a])(C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5]H)(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[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5a]C[5]H)(C[5a]N[5a]H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5]H)(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[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5a]C[5]H)(C[5a]N[5a]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	113.7120	0.000	1	113.7120	0.000	1	113.7120	0.000	1	114.6047	0.996	8	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:3:4:1:	4:4:3:1:	3:4:3:	N[5,5a]-3:C[5a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C[5a])(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[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]N[5,5a]C[5]H)(C[5a]N[5a]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H){1|N<3>,2|H<1>,6|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[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]N[5,5a]C[5]H)(C[5a]N[5a]H){2|C<4>,2|H<1>,5|C<3>}	115.2920	1.010	2	115.2920	1.020	2	114.7310	1.212	6	114.6047	0.996	8	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:3:4:1:	4:4:3:1:	3:4:3:	N[5,5a]-3:C[5a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C[5a])(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[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]N[5,5a]C[5]H)(C[5a]N[5a]C)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H){1|C<4>,1|H<1>,1|N<3>,6|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[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]N[5,5a]C[5]H)(C[5a]N[5a]C){1|C<4>,3|H<1>,5|C<3>}	113.8330	0.000	1	113.8330	0.000	1	114.7310	1.212	6	114.6047	0.996	8	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:3:4:1:	4:4:3:1:	3:4:3:	N[5,5a]-3:C[5a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C[5a])(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[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]N[5,5a]C[5]H)(C[5a]N[5a]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H){1|N<3>,2|H<1>,6|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[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]N[5,5a]C[5]H)(C[5a]N[5a]H){2|C<4>,2|H<1>,5|C<3>}	115.1675	1.422	2	115.1675	2.022	2	114.7310	1.212	6	114.6047	0.996	8	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:3:4:1:	4:4:3:1:	3:4:3:	N[5,5a]-3:C[5a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H)	C[5](C[5]N[5,5a]C[5a]H)(C[5]C[5,5a]HH)(COO)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]N[5,5a]C[5]H)(C[5a]N[5a]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H){1|N<3>,3|H<1>,5|C<3>}	C[5](C[5]N[5,5a]C[5a]H)(C[5]C[5,5a]HH)(COO)(H){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]N[5,5a]C[5]H)(C[5a]N[5a]H){2|C<4>,2|H<1>,5|C<3>}	113.6340	0.000	1	113.6340	0.000	1	114.7310	1.212	6	114.6047	0.996	8	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:3:4:1:	4:4:3:1:	3:4:3:	N[5]-3:C[5a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5a]-3:C[5]-4:C[5a]-3:	C[5](N[5]C[6a]O[5])(C[5a]C[5a]2)(C[5]C[5]HN)(H)	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]O[5]H)(NOO)(H)	C[5a](C[5a]C[6a]N[5a])(C[5]C[5]N[5]H)(C[5a]N[5a]H)	C[5](N[5]C[6a]O[5])(C[5a]C[5a]2)(C[5]C[5]HN)(H){1|N<2>,1|N<3>,2|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[5a](C[5a]C[6a]N[5a])(C[5]C[5]N[5]H)(C[5a]N[5a]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	114.7400	0.000	1	114.7400	0.000	1	114.7400	0.000	1	114.6047	0.996	8	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:3:4:1:	4:4:3:1:	4:3:2:	C[5a]-3:N[5]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5](C[5a]C[5a]S[5a])(N[5]C[6a]C[5])(C[5]C[5]HN)(H)	C[5](C[5]C[5a]N[5]H)(C[5]C[5]CH)(NCH)(H)	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a])	C[5](C[5a]C[5a]S[5a])(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[5a]N[5]H)(C[5]C[5]CH)(NCH)(H){1|O<1>,1|S<2>,2|C<3>}	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	113.6320	0.000	1	113.6320	0.000	1	113.6320	0.000	1	113.6320	0.000	1	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:3:4:1:	4:4:3:1:	4:3:3:	C[5,5a]-3:C[5a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[5a]-3:N[5a]-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)	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[5a](C[5]C[5,5a]C[5]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]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){1|C<4>,1|H<1>,1|N<3>,8|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[5a](C[5]C[5,5a]C[5]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|C<4>,1|H<1>,5|C<3>}	114.3940	0.000	1	114.3940	0.000	1	114.3940	0.000	1	114.5653	0.784	3	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:3:4:1:	4:4:3:1:	4:3:3:	N[5,5a]-3:C[5a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5a]-3:N[5a]-3:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a]N[5a])(C[5]C[5]CH)(H)	C[5](C[5]N[5,5a]C[5a]H)(C[5]C[5,5a]CH)(COO)(H)	C[5a](C[5]N[5,5a]C[5]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a]N[5a])(C[5]C[5]CH)(H){2|C<4>,2|H<1>,5|C<3>}	C[5](C[5]N[5,5a]C[5a]H)(C[5]C[5,5a]CH)(COO)(H){1|N<3>,3|C<3>}	C[5a](C[5]N[5,5a]C[5]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|C<4>,1|H<1>,5|C<3>}	115.5240	0.000	1	115.5240	0.000	1	115.5240	0.000	1	114.5653	0.784	3	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:3:4:1:	4:4:3:1:	4:3:3:	N[5,5a]-3:C[5a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[5a]-3:N[5a]-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)	C[5](C[5]N[5,5a]C[5a]H)(C[5]C[5,5a]CH)(C[6a]C[6a]2)(H)	C[5a](C[5]N[5,5a]C[5]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]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){2|C<4>,2|H<1>,7|C<3>}	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[5a](C[5]N[5,5a]C[5]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|C<4>,1|H<1>,5|C<3>}	113.7780	0.000	1	113.7780	0.000	1	113.7780	0.000	1	114.5653	0.784	3	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:3:4:3:	4:3:1:1:	4:3:2:	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[5a]-3:O[5a]-2:	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[5a](C[5]C[6a]C[5]2)(C[5a]C[5a]H)(O[5a]C[5a])	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[5a](C[5]C[6a]C[5]2)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	114.0480	0.000	1	114.0480	0.000	1	114.0480	0.000	1	114.0480	0.000	1	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:3:4:3:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[5a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5,6a]-3:C[5]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)	C[5](C[5]C[5,6a]C[5a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]2)(C[5a]N[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O){1|C<4>,1|O<1>,2|H<1>,2|N<3>,6|C<3>}	C[5](C[5]C[5,6a]C[5a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]2)(C[5a]N[5a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,6|C<3>}	113.2060	0.000	1	113.2060	0.000	1	113.2060	0.000	1	113.2060	0.000	1	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:3:4:3:	4:4:1:1:	3:4:3:	C[5,5a]-3:C[5a]-3:C[5]-4:C-3:	C[5]-4:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](C[5,5a]C[5,5a]N[5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(COO)	C[5](C[5]C[5,5a]C[5a]C)(C[5]C[5,5a]CC)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5a]C[5]C)(C[5a]N[5a]H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(COO){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	C[5](C[5]C[5,5a]C[5a]C)(C[5]C[5,5a]CC)(H)2{1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5a]C[5]C)(C[5a]N[5a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	110.8550	0.000	1	110.8550	0.000	1	110.8550	0.000	1	110.8550	0.000	1	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:3:4:3:	4:4:1:1:	4:3:2:	C[5a]-3:C[5a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5](C[5a]C[5a]S[5a])(C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5a]2C[5])(C[5]C[5a]C[5]C)(H)2	C[5a](C[5]C[5a]C[5]2)(C[5a]C[5a]H)(S[5a]C[5a])	C[5](C[5a]C[5a]S[5a])(C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]O){1|C<4>,1|O<1>,2|H<1>,2|S<2>,4|C<3>}	C[5](C[5]C[5a]2C[5])(C[5]C[5a]C[5]C)(H)2{1|S<2>,2|O<1>,5|C<3>}	C[5a](C[5]C[5a]C[5]2)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|O<1>,1|S<2>,3|C<3>,3|H<1>}	114.9620	0.000	1	114.9620	0.000	1	114.9620	0.000	1	114.9620	0.000	1	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:3:4:3:	4:4:1:1:	4:3:3:	C[5a]-3:C[5a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5](C[5a]C[5a]S[5a])(C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5a]2C[5])(C[5]C[5a]C[5]C)(H)2	C[5a](C[5]C[5a]C[5]2)(C[5a]C[5a]H)(C[5a]S[5a]S)	C[5](C[5a]C[5a]S[5a])(C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]O){1|C<4>,1|O<1>,2|H<1>,2|S<2>,4|C<3>}	C[5](C[5]C[5a]2C[5])(C[5]C[5a]C[5]C)(H)2{1|S<2>,2|O<1>,5|C<3>}	C[5a](C[5]C[5a]C[5]2)(C[5a]C[5a]H)(C[5a]S[5a]S){1|C<4>,1|O<1>,1|S<2>,2|C<3>,3|H<1>}	110.6180	0.000	1	110.6180	0.000	1	110.6180	0.000	1	110.6180	0.000	1	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:3:4:4:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[5a]-3:C[5]-4:C-4:	C[5]-4:C[5]-3:N-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]HN)(CH3)	C[5](C[5]C[5,6a]C[5a]C)(C[5]C[5,6a]O)(NHS)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5a]N[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]HN)(CH3){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5a]C)(C[5]C[5,6a]O)(NHS)(H){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5a]N[5a]H){1|N<3>,3|H<1>,5|C<3>}	112.5280	0.074	2	112.5280	0.005	2	112.5280	0.005	2	112.5280	0.005	2	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:3:4:4:	4:4:1:1:	3:3:4:	C[5a]-3:N[5]-3:C[5]-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5a]-3:N[5a]-3:C[5]-4:	C[5](C[5a]C[5a]N[5a])(N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)	C[5](C[5]C[5a]N[5]C)(C[5]C[5]HH)(H)2	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[5]C[5]N[5]C)	C[5](C[5a]C[5a]N[5a])(N[5]C[6a]C[5])(C[5]C[5]HH)(CH3){1|O<1>,3|H<1>,5|C<3>}	C[5](C[5]C[5a]N[5]C)(C[5]C[5]HH)(H)2{1|N<3>,1|O<1>,2|C<3>}	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[5]C[5]N[5]C){1|C<4>,2|H<1>,4|C<3>}	111.2730	0.000	1	111.2730	0.000	1	111.2730	0.000	1	111.2730	0.000	1	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:3:4:4:	4:4:1:1:	3:4:3:	C[5,5a]-3:C[5a]-3:C[5]-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](C[5,5a]C[5,5a]N[5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(CH3)	C[5](C[5]C[5,5a]C[5a]C)(C[5]C[5,5a]CC)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5a]C[5]C)(C[5a]N[5a]H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(CH3){1|H<1>,1|N<3>,1|S<4>,2|C<4>,4|C<3>}	C[5](C[5]C[5,5a]C[5a]C)(C[5]C[5,5a]CC)(H)2{1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5a]C[5]C)(C[5a]N[5a]H){1|C<4>,1|N<3>,1|S<4>,3|C<3>,3|H<1>}	109.1270	0.000	1	110.8220	2.202	3	110.8220	2.202	3	110.8220	2.202	3	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:3:4:4:	4:4:1:1:	3:4:3:	C[5,5a]-3:C[5a]-3:C[5]-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](C[5,5a]C[5,5a]N[5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(CH3)	C[5](C[5]C[5,5a]C[5a]C)(C[5]C[5,5a]CC)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5a]C[5]C)(C[5a]N[5a]H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(CH3){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	C[5](C[5]C[5,5a]C[5a]C)(C[5]C[5,5a]CC)(H)2{1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5a]C[5]C)(C[5a]N[5a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	111.4520	0.000	1	110.8220	2.202	3	110.8220	2.202	3	110.8220	2.202	3	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:3:4:4:	4:4:1:1:	3:4:3:	C[5,5a]-3:C[5a]-3:C[5]-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](C[5,5a]C[5,5a]N[5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(CH3)	C[5](C[5]C[5,5a]C[5a]C)(C[5]C[5,5a]CC)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5a]C[5]C)(C[5a]N[5a]H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(CH3){1|H<1>,1|N<3>,3|C<4>,4|C<3>}	C[5](C[5]C[5,5a]C[5a]C)(C[5]C[5,5a]CC)(H)2{1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5a]C[5]C)(C[5a]N[5a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	111.8870	0.000	1	110.8220	2.202	3	110.8220	2.202	3	110.8220	2.202	3	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:3:4:4:	4:4:1:1:	4:3:2:	N[5,6]-3:C[5a]-3:C[5]-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5a]-3:N[5a]-2:	C[5](N[5,6]C[5,6]C[6])(C[5a]N[5a]2)(C[5]C[5]HH)(CH3)	C[5](C[5]N[5,6]C[5a]C)(C[5]C[5,6]HH)(H)2	C[5a](C[5]N[5,6]C[5]C)(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	C[5](N[5,6]C[5,6]C[6])(C[5a]N[5a]2)(C[5]C[5]HH)(CH3){1|N<3>,3|C<3>,5|H<1>}	C[5](C[5]N[5,6]C[5a]C)(C[5]C[5,6]HH)(H)2{1|C<4>,1|N<2>,2|N<3>}	C[5a](C[5]N[5,6]C[5]C)(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){2|C<4>,2|H<1>,3|C<3>}	113.4500	0.000	1	113.4500	0.000	1	113.4500	0.000	1	113.4500	0.000	1	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:2:1:	3:4:3:1:	3:4:3:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]O[5]H)(C[6a]C[6a]2)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	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[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[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|C<4>,2|H<1>,5|C<3>}	113.6350	0.000	1	113.6350	0.000	1	113.6350	0.000	1	113.6350	0.000	1	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:2:1:	4:2:2:2:	3:4:3:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-2:C-2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](C[5a]C[5a,6a]C[5a])(C[5]O[5]CC)(O[5]C[5])(H)	C[5](C[5]C[5a]O[5]H)(O[5]C[5])(CN)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]O[5]CC)(O[5]C[5])(H){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[5a]O[5]H)(O[5]C[5])(CN)2{1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|C<4>,1|O<2>,2|C<2>,2|C<3>,2|H<1>}	116.8590	0.000	1	116.8590	0.000	1	116.8590	0.000	1	116.8590	0.000	1	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:2:1:	4:2:2:2:	4:3:2:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-2:C-2:	C[5]-4:C[5a]-3:O[5a]-2:	C[5](C[5a]C[5a]O[5a])(C[5]O[5]CC)(O[5]C[5])(H)	C[5](C[5]C[5a]O[5]H)(O[5]C[5])(CN)2	C[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[5](C[5a]C[5a]O[5a])(C[5]O[5]CC)(O[5]C[5])(H){2|H<1>,3|C<3>}	C[5](C[5]C[5a]O[5]H)(O[5]C[5])(CN)2{1|H<1>,1|O<2>,2|C<3>}	C[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,1|O<2>,2|C<2>,2|H<1>}	113.7930	0.000	1	113.7930	0.000	1	113.7930	0.000	1	115.0165	2.994	2	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:2:1:	4:2:2:2:	4:3:2:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-2:C-2:	C[5]-4:C[5a]-3:S[5a]-2:	C[5](C[5a]C[5a]S[5a])(C[5]O[5]CC)(O[5]C[5])(H)	C[5](C[5]C[5a]O[5]H)(O[5]C[5])(CN)2	C[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(S[5a]C[5a])	C[5](C[5a]C[5a]S[5a])(C[5]O[5]CC)(O[5]C[5])(H){2|H<1>,3|C<3>}	C[5](C[5]C[5a]O[5]H)(O[5]C[5])(CN)2{1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|O<2>,2|C<2>,2|H<1>}	116.2400	0.000	1	116.2400	0.000	1	116.2400	0.000	1	115.0165	2.994	2	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:2:1:	4:3:1:1:	3:4:3:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]N[5])(H)	C[5](C[5]C[5a]O[5]H)(C[5]C[6a]N[5])(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]N[5])(H){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5]C[5a]O[5]H)(C[5]C[6a]N[5])(H)2{4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|N<2>,3|C<3>,4|H<1>}	119.3920	0.000	1	119.3920	0.000	1	119.3920	0.000	1	119.3920	0.000	1	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:2:1:	4:3:4:3:	4:3:2:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[5]-4:C-3:	C[5]-4:C[5a]-3:S[5a]-2:	C[5](C[5a]C[5a]S[5a])(C[5]C[6a]C[5]C)(O[5]C[5])(H)	C[5](C[5]C[5a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(COO)	C[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(S[5a]C[5a])	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[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[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	117.4000	0.546	2	117.4000	0.298	2	117.4000	0.298	2	117.4000	0.298	2	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:2:1:	4:4:1:1:	3:4:2:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5a]-3:C[5]-4:O[5a]-2:	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5a]O[5]H)(C[5]C[5]CH)(H)2	C[5a](C[5a]C[5a,6a]H)(C[5]C[5]O[5]H)(O[5a]C[5a,6a])	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[5a]O[5]H)(C[5]C[5]CH)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[5a](C[5a]C[5a,6a]H)(C[5]C[5]O[5]H)(O[5a]C[5a,6a]){2|C<3>,2|C<4>,2|H<1>}	115.5650	0.085	2	115.5650	0.007	2	115.5650	0.007	2	115.5650	0.007	2	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:2:1:	4:4:1:1:	4:3:3:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5a]-3:N[5a]-3:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5a]O[5]H)(C[5]C[5]CH)(H)2	C[5a](C[5]C[5]O[5]H)(C[5a]C[5a,6]H)(N[5a]C[5a,6]C)	C[5](C[5a]C[5a]N[5a])(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[5a]O[5]H)(C[5]C[5]CH)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[5a](C[5]C[5]O[5]H)(C[5a]C[5a,6]H)(N[5a]C[5a,6]C){1|C<3>,2|H<1>,3|C<4>}	116.4320	0.000	1	116.4320	0.000	1	116.4320	0.000	1	116.4320	0.000	1	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:2:1:	4:4:2:1:	3:4:2:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5a,6a]-3:C[5]-4:S[5a]-2:	C[5](C[5a]C[5a,6a]S[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[5a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(S[5a]C[5a])	C[5](C[5a]C[5a,6a]S[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(S[5a]C[5a]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	116.7477	1.445	3	116.7477	2.087	3	115.4565	3.881	10	115.4565	3.881	10	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:2:1:	4:4:2:1:	3:4:2:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5a,6a]-3:C[5]-4:S[5a]-2:	C[5](C[5a]C[5a,6a]S[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[5a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(S[5a]N[5a])	C[5](C[5a]C[5a,6a]S[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(S[5a]N[5a]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	115.3592	1.725	6	114.9031	3.935	7	115.4565	3.881	10	115.4565	3.881	10	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:2:1:	4:4:2:1:	3:4:2:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5a,6a]-3:C[5]-4:S[5a]-2:	C[5](C[5a]C[5a,6a]S[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[5a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(S[5a]N[5a])	C[5](C[5a]C[5a,6a]S[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|N<2>}	C[5](C[5]C[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(S[5a]N[5a]){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	112.1670	0.000	1	114.9031	3.935	7	115.4565	3.881	10	115.4565	3.881	10	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:2:1:	4:4:2:1:	4:2:2:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5a]-2:O[5a]-2:	C[5](C[5a]N[5a]O[5a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]C[5a]O[5]H)(C[5]C[5]HO)(OH)(H)	C[5a](C[5]C[5]O[5]H)(N[5a]C[5a,6a])(O[5a]C[5a,6a])	C[5](C[5a]N[5a]O[5a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5a](C[5]C[5]O[5]H)(N[5a]C[5a,6a])(O[5a]C[5a,6a]){1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	113.8340	0.000	1	113.8340	0.000	1	113.8340	0.000	1	113.8340	0.000	1	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:2:1:	4:4:2:1:	4:3:2:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5a]-3:N[5a]-2:	C[5](C[5a]C[5a]N[5a])(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[5a]O[5]H)(OC)(H)	C[5a](C[5]C[5]O[5]H)(C[5a]N[5a]H)(N[5a]N[5a])	C[5](C[5a]C[5a]N[5a])(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|N<2>,1|N<3>,2|O<2>,3|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5a]O[5]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5a](C[5]C[5]O[5]H)(C[5a]N[5a]H)(N[5a]N[5a]){1|H<1>,1|O<2>,3|C<4>}	117.8760	0.000	1	117.8760	0.000	1	117.7065	0.057	2	117.7065	0.057	2	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:2:1:	4:4:2:1:	4:3:2:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5a]-3:N[5a]-2:	C[5](C[5a]C[5a]N[5a])(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[5a]O[5]H)(OH)(H)	C[5a](C[5]C[5]O[5]H)(C[5a]N[5a]H)(N[5a]N[5a])	C[5](C[5a]C[5a]N[5a])(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|N<2>,1|N<3>,2|O<2>,3|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5a]O[5]H)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5a](C[5]C[5]O[5]H)(C[5a]N[5a]H)(N[5a]N[5a]){1|H<1>,1|O<2>,3|C<4>}	117.5370	0.000	1	117.5370	0.000	1	117.7065	0.057	2	117.7065	0.057	2	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:2:1:	4:4:2:1:	4:3:3:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5a]-3:N[5a]-3:	C[5](C[5a]C[5a]N[5a])(C[5]C[5,5]HO)(O[5]C[5,5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5a]O[5]H)(OC)(H)	C[5a](C[5]C[5]O[5]H)(C[5a]N[5a]H)(N[5a]N[5a]C)	C[5](C[5a]C[5a]N[5a])(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|C<4>,2|N<2>,2|O<2>,3|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5a]O[5]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[5a](C[5]C[5]O[5]H)(C[5a]N[5a]H)(N[5a]N[5a]C){1|H<1>,1|O<2>,2|C<4>}	118.1835	0.088	2	118.1835	0.008	2	118.1835	0.008	2	118.1835	0.008	2	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:2:1:	4:4:3:1:	4:3:2:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5](C[5a]C[5a]S[5a])(C[5]C[5]CH)(O[5]N[5])(H)	C[5](C[5]C[5a]O[5]H)(C[5]C[6a]N[5]H)(CC[6]O)(H)	C[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(S[5a]C[5a])	C[5](C[5a]C[5a]S[5a])(C[5]C[5]CH)(O[5]N[5])(H){2|H<1>,4|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[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	118.2880	0.000	1	118.2880	0.000	1	118.2880	0.000	1	118.2880	0.000	1	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:2:1:	4:4:3:2:	4:3:2:	C[5a]-3:C[5]-4:N[5]-2:H-1:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:C[5a]-3:S[5a]-2:	C[5](C[5a]C[5a]S[5a])(C[5]C[5]CO)(N[5]C[5])(H)	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(COO)(OSi)	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a])	C[5](C[5a]C[5a]S[5a])(C[5]C[5]CO)(N[5]C[5])(H){1|N<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(COO)(OSi){1|C<3>,1|N<2>,1|S<2>}	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	118.3650	0.000	1	118.3650	0.000	1	118.3650	0.000	1	118.3650	0.000	1	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:2:1:	4:4:4:1:	3:4:3:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5a]O[5]H)(C[5]C[5]HH)(CF3)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]S[5a]H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,1|S<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5a]O[5]H)(C[5]C[5]HH)(CF3)(H){1|O<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]S[5a]H){2|C<4>,2|H<1>,3|C<3>}	111.8880	0.000	1	111.8880	0.000	1	111.8880	0.000	1	111.8880	0.000	1	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:2:1:	4:4:4:1:	4:3:2:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5a]-3:O[5a]-2:	C[5](C[5a]C[5a]O[5a])(C[5]C[5]CH)(O[5]C[5])(H)	C[5](C[5]C[5a]O[5]H)(C[5]C[5]ReH)(CCHO)(H)	C[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[5](C[5a]C[5a]O[5a])(C[5]C[5]CH)(O[5]C[5])(H){1|Re<7>,1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5a]O[5]H)(C[5]C[5]ReH)(CCHO)(H){1|C<3>,1|C<4>,1|O<2>}	C[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(O[5a]C[5a]){3|C<4>,3|H<1>}	115.6140	0.000	1	115.6140	0.000	1	115.6140	0.000	1	115.6140	0.000	1	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:2:2:	4:3:1:1:	3:4:2:	C[5a]-3:C[5]-4:O[5]-2:O-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5a]-3:C[5]-4:O[5a]-2:	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(O[5]N[5])(OH)	C[5](C[5]C[5a]O[5]O)(C[5]C[6a]N[5])(H)2	C[5a](C[5a]C[5a,6a]H)(C[5]C[5]O[5]O)(O[5a]C[5a,6a])	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(O[5]N[5])(OH){1|H<1>,3|C<3>}	C[5](C[5]C[5a]O[5]O)(C[5]C[6a]N[5])(H)2{1|O<2>,3|C<3>}	C[5a](C[5a]C[5a,6a]H)(C[5]C[5]O[5]O)(O[5a]C[5a,6a]){1|N<2>,2|H<1>,3|C<3>}	117.5970	0.000	1	117.5970	0.000	1	117.5970	0.000	1	117.5970	0.000	1	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:2:2:	4:4:2:1:	3:4:3:	C[5a]-3:C[5]-4:O[5]-2:C-2:	C[5]-4:C[5]-4:O-2:H-1:	N[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](C[5a]N[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(CN)	C[5](C[5]C[5a]O[5]C)(C[5]C[5]HO)(OH)(H)	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]C)(C[5a]C[5a]H)	C[5](C[5a]N[5a,6a]C[5a])(C[5]C[5]HO)(O[5]C[5])(CN){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5a]O[5]C)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]C)(C[5a]C[5a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	114.3640	0.000	1	114.3640	0.000	1	114.3640	0.000	1	114.3640	0.000	1	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:2:4:	4:3:3:1:	4:3:2:	C[5a]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5](C[5a]C[5a]S[5a])(C[5]C[6a]N[5]H)(O[5]C[5])(CH3)	C[5](C[5]C[5a]O[5]C)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5a](C[5]C[5]O[5]C)(C[5a]C[5a]H)(S[5a]C[5a])	C[5](C[5a]C[5a]S[5a])(C[5]C[6a]N[5]H)(O[5]C[5])(CH3){1|S<1>,2|H<1>,4|C<3>}	C[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[5a](C[5]C[5]O[5]C)(C[5a]C[5a]H)(S[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	110.1620	0.000	1	110.1620	0.000	1	110.1620	0.000	1	110.1620	0.000	1	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:2:4:	4:4:1:1:	4:3:3:	C[5a]-3:C[5]-4:N[5]-2:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5a]-3:N[5a]-3:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(N[5]C[5])(CHOO)	C[5](C[5]C[5a]N[5]C)(C[5]C[5]CC)(H)2	C[5a](C[5]C[5]N[5]C)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(N[5]C[5])(CHOO){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5a]N[5]C)(C[5]C[5]CC)(H)2{1|N<3>,2|C<3>}	C[5a](C[5]C[5]N[5]C)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,2|H<1>,3|C<3>}	115.2550	0.000	1	115.2550	0.000	1	115.2550	0.000	1	115.2550	0.000	1	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:3:1:	3:4:1:1:	3:4:3:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]H)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]N[5a]H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H){1|H<1>,1|N<3>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]H)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]N[5a]H){2|C<4>,3|H<1>,4|C<3>}	117.2115	0.460	2	116.3907	2.127	3	116.3907	2.127	3	116.3907	2.127	3	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:3:1:	3:4:1:1:	3:4:3:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]H)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]N[5a]H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H){1|H<1>,1|N<3>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]H)(H)2{1|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]N[5a]H){4|H<1>,5|C<3>}	114.7490	0.000	1	116.3907	2.127	3	116.3907	2.127	3	116.3907	2.127	3	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:3:1:	3:4:3:1:	3:3:4:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5]H)(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[5]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5]H)(C[5]C[5]C)(H){1|N<3>,3|H<1>,4|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5]H)(C[5]C[5]H)(H){1|N<3>,2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H){3|H<1>,6|C<3>}	113.7350	0.000	1	113.7350	0.000	1	113.5440	0.073	2	113.5440	0.073	2	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:3:1:	3:4:3:1:	3:3:4:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5]H)(C[5]C[5]H)(H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5]H)(C[5]C[5]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5]H)(C[5]C[5]H)(H){1|N<3>,2|H<1>,5|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5]H)(C[5]C[5]C)(H){1|N<3>,3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H){4|H<1>,5|C<3>}	113.3530	0.000	1	113.3530	0.000	1	113.5440	0.073	2	113.5440	0.073	2	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:3:1:	3:4:3:2:	3:4:3:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:C-2:	C[5a,6a]-3:C[5]-4:C[5a]-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)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]H)(C[6a]C[6a]2)(CN)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]N[5a]H)	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[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[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]N[5a]H){1|C<2>,3|H<1>,5|C<3>}	117.3410	0.000	1	117.3410	0.000	1	117.3410	0.000	1	117.3410	0.000	1	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:3:1:	3:4:3:3:	3:4:2:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C-3:C-3:	C[5a]-3:C[5]-4:S[5a]-2:	C[5](C[5a]C[5a]S[5a])(C[5]C[5,6a]CC)(N[5]C[5,6a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]H)(COO)2	C[5a](C[5a]C[5a,6a]H)(C[5]C[5]N[5]H)(S[5a]C[5a,6a])	C[5](C[5a]C[5a]S[5a])(C[5]C[5,6a]CC)(N[5]C[5,6a]O)(H){1|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]H)(COO)2{1|H<1>,1|O<2>,1|S<2>,3|C<3>}	C[5a](C[5a]C[5a,6a]H)(C[5]C[5]N[5]H)(S[5a]C[5a,6a]){1|O<2>,6|C<3>}	118.1190	0.000	1	118.1190	0.000	1	118.1190	0.000	1	118.1190	0.000	1	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:3:1:	3:4:4:1:	3:3:4:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5]H)(C[5]C[6a]C[5])(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[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5]H)(C[5]C[6a]C[5])(H){1|C<2>,1|N<3>,2|H<1>,7|C<3>}	C[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[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|C<4>,3|H<1>,5|C<3>}	111.8595	0.429	2	111.8595	0.184	2	111.8595	0.184	2	111.8595	0.184	2	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:3:1:	4:2:1:1:	3:3:4:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]O[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5a]C[5]H)(O[5]C[5])(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]O[5]HH)(C[5]C[5]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]C[5a]C[5]H)(O[5]C[5])(H)2{1|C<4>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	115.0220	0.000	1	115.0220	0.000	1	115.0220	0.000	1	115.0220	0.000	1	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:3:1:	4:2:1:1:	4:3:2:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:N[5a]-3:N[5a]-2:	C[5](C[5a]N[5a]2)(C[5]O[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5a]N[5]H)(O[5]C[5])(H)2	C[5a](C[5]C[5]N[5]H)(N[5a]N[5a]C)(N[5a]N[5a])	C[5](C[5a]N[5a]2)(C[5]O[5]HH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|N<2>}	C[5](C[5]C[5a]N[5]H)(O[5]C[5])(H)2{1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C[5a](C[5]C[5]N[5]H)(N[5a]N[5a]C)(N[5a]N[5a]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	113.9320	0.000	1	113.9320	0.000	1	113.9320	0.000	1	113.9320	0.000	1	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:3:1:	4:2:3:1:	3:4:2:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:S[5]-2:C-3:H-1:	C[5a]-3:C[5]-4:S[5a]-2:	C[5](C[5a]C[5a]S[5a])(C[5]S[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5a]C[5]H)(S[5]C[5])(CNO)(H)	C[5a](C[5a]C[5a]H)(C[5]C[5]2H)(S[5a]C[5a])	C[5](C[5a]C[5a]S[5a])(C[5]S[5]CH)(C[5]C[5]C)(H){1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]C[5a]C[5]H)(S[5]C[5])(CNO)(H){1|C<2>,1|C<3>,1|N<3>,1|S<2>}	C[5a](C[5a]C[5a]H)(C[5]C[5]2H)(S[5a]C[5a]){1|C<2>,1|S<2>,2|C<3>,3|H<1>}	112.3280	0.000	1	112.3280	0.000	1	112.3280	0.000	1	112.3280	0.000	1	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:3:1:	4:3:1:1:	3:3:4:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]C)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[5]2H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5](C[5]C[5a]C[5]H)(C[5]C[5]C)(H)2{2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[5]2H){5|H<1>,6|C<3>}	114.6140	0.000	1	114.6140	0.000	1	114.6140	0.000	1	116.8340	9.857	2	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:3:1:	4:3:1:1:	3:3:4:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	N[5a]-3:C[5a]-3:C[5]-4:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]N[5]O)(H)	C[5](C[5]C[5a]C[5]H)(C[5]N[5]O)(H)2	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[5]C[5]2H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]N[5]O)(H){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5]C[5a]C[5]H)(C[5]N[5]O)(H)2{1|N<3>,1|O<1>,2|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[5]C[5]2H){1|N<2>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	119.0540	0.000	1	119.0540	0.000	1	119.0540	0.000	1	116.8340	9.857	2	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:3:1:	4:3:1:1:	3:4:3:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(N[5]N[5]C)(H)	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]N[5])(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]N[5a]H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(N[5]N[5]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]N[5])(H)2{5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]N[5a]H){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	114.4670	0.000	1	114.4670	0.000	1	114.4670	0.000	1	114.4670	0.000	1	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:3:1:	4:3:1:1:	4:3:2:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5a]-3:O[5a]-2:	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(N[5]N[5]C)(H)	C[5](C[5]C[5a]N[5]H)(C[5]C[5a]N[5])(H)2	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(N[5]N[5]C)(H){1|H<1>,3|C<3>}	C[5](C[5]C[5a]N[5]H)(C[5]C[5a]N[5])(H)2{1|O<2>,1|S<2>,3|C<3>}	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|N<2>,2|C<3>,4|H<1>}	113.8550	0.000	1	113.8075	0.005	2	114.0898	0.457	4	114.1680	0.373	5	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:3:1:	4:3:1:1:	4:3:2:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5a]-3:O[5a]-2:	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(N[5]N[5]C)(H)	C[5](C[5]C[5a]N[5]H)(C[5]C[5a]N[5])(H)2	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(N[5]N[5]C)(H){1|H<1>,3|C<3>}	C[5](C[5]C[5a]N[5]H)(C[5]C[5a]N[5])(H)2{2|O<2>,3|C<3>}	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|N<2>,2|C<3>,4|H<1>}	113.7600	0.000	1	113.8075	0.005	2	114.0898	0.457	4	114.1680	0.373	5	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:3:1:	4:3:1:1:	4:3:2:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5a]-3:O[5a]-2:	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(N[5]N[5]C)(H)	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]N[5])(H)2	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(N[5]N[5]C)(H){1|H<1>,3|C<3>}	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]N[5])(H)2{1|O<2>,4|C<3>}	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|N<2>,2|C<3>,4|H<1>}	114.3720	1.024	2	114.3720	1.048	2	114.0898	0.457	4	114.1680	0.373	5	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:3:1:	4:3:1:1:	4:3:2:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(N[5]N[5]C)(H)	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]N[5])(H)2	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]C)(S[5a]C[5a])	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(N[5]N[5]C)(H){1|C<4>,3|C<3>}	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]N[5])(H)2{1|S<2>,4|C<3>}	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]C)(S[5a]C[5a]){1|N<2>,2|C<3>,4|H<1>}	114.4810	0.000	1	114.4810	0.000	1	114.4810	0.000	1	114.1680	0.373	5	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:3:1:	4:3:1:1:	4:3:3:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]N[5])(H)2	C[5a](C[5]C[5]N[5]H)(C[5a]N[5a]C)(C[5a]N[5a]N)	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]N[5])(H)2{5|C<3>}	C[5a](C[5]C[5]N[5]H)(C[5a]N[5a]C)(C[5a]N[5a]N){1|N<2>,2|H<1>,3|C<3>}	113.1270	0.000	1	113.1270	0.000	1	115.3730	2.992	4	115.3730	2.992	4	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:3:1:	4:3:1:1:	4:3:3:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]N[5])(H)2	C[5a](C[5]C[5]N[5]H)(C[5a]N[5a]C)(C[5a]N[5a]O)	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>}	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]N[5])(H)2{5|C<3>}	C[5a](C[5]C[5]N[5]H)(C[5a]N[5a]C)(C[5a]N[5a]O){1|N<2>,2|H<1>,3|C<3>}	115.5950	0.765	2	115.5950	0.585	2	115.3730	2.992	4	115.3730	2.992	4	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:3:1:	4:3:1:1:	4:3:3:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(N[5]N[5]H)(H)	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]N[5])(H)2	C[5a](C[5]C[5]N[5]H)(C[5a]N[5a]Cl)(C[5a]N[5a]C)	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(N[5]N[5]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[5](C[5]C[5a]N[5]H)(C[5]C[6a]N[5])(H)2{1|H<1>,4|C<3>}	C[5a](C[5]C[5]N[5]H)(C[5a]N[5a]Cl)(C[5a]N[5a]C){1|N<2>,2|C<3>,3|H<1>}	117.1750	0.000	1	117.1750	0.000	1	115.3730	2.992	4	115.3730	2.992	4	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:3:1:	4:3:3:1:	3:3:4:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5a]-3:C[5a]-3:C[5]-4:	C[5](C[5a]C[5a]2)(C[5]C[5]CH)(C[5]N[5]C)(H)	C[5](C[5]C[5a]C[5]H)(C[5]N[5]C)(CC[6a]O)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[5]C[5]2H)	C[5](C[5a]C[5a]2)(C[5]C[5]CH)(C[5]N[5]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5]C[5a]C[5]H)(C[5]N[5]C)(CC[6a]O)(H){3|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[5]C[5]2H){1|N<2>,2|H<1>,4|C<3>}	110.9070	1.045	2	110.9070	1.092	2	110.9070	1.092	2	112.0760	3.206	4	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:3:1:	4:3:3:1:	3:3:4:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:N-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HN)(C[5]C[5]H)(H)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]C)(NCN)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HN)(C[5]C[5]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[5a]C[5]H)(C[5]C[5]C)(NCN)(H){2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	112.0080	0.000	1	112.0080	0.000	1	112.0080	0.000	1	112.0760	3.206	4	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:3:1:	4:3:3:1:	3:3:4:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5a]-3:N[5a]-3:C[5]-4:	C[5](C[5a]C[5a]N[5a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(H)	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(C[5]C[5]2H)	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[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[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(C[5]C[5]2H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	114.4820	0.000	1	114.4820	0.000	1	114.4820	0.000	1	112.0760	3.206	4	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:3:1:	4:3:3:3:	3:3:4:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]2C[5])(C[5]C[5]H)(H)	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)2(C[5]C[5]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	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[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[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H){3|H<1>,6|C<3>}	114.0615	0.040	2	114.0615	0.002	2	114.0615	0.002	2	114.0615	0.002	2	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:3:1:	4:3:4:1:	3:3:4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5a]-3:N[5a]-3:C[5]-4:	C[5](C[5a]C[5a]N[5a])(C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(H)	C[5](C[5]C[5a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[5]C[5]N[5]H)	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[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[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[5]C[5]N[5]H){1|C<4>,1|H<1>,5|C<3>}	113.0140	0.000	1	113.0140	0.000	1	113.0140	0.000	1	113.0140	0.000	1	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:3:1:	4:4:1:1:	3:3:4:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]N)(H)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]N)(H){1|N<3>,3|C<3>,3|H<1>}	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(H)2{1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	115.7473	1.557	4	115.7473	2.423	4	115.0031	2.781	12	114.8119	4.016	15	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:3:1:	4:4:1:1:	3:3:4:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]N[5]O)(H)	C[5](C[5]C[5a]C[5]H)(C[5]N[5]CH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]N[5]O)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[5a]C[5]H)(C[5]N[5]CH)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	114.9640	0.000	2	114.9640	0.000	2	115.0031	2.781	12	114.8119	4.016	15	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:3:1:	4:4:1:1:	3:3:4:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]O[5]O)(H)	C[5](C[5]C[5a]C[5]H)(C[5]C[6a]O[5]C)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]O[5]O)(H){1|N<3>,2|C<4>,3|C<3>}	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[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2H){1|C<4>,1|O<1>,1|O<2>,1|S<4>,2|C<3>,3|H<1>}	114.0820	0.000	1	114.0820	0.000	1	115.0031	2.781	12	114.8119	4.016	15	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:3:1:	4:4:1:1:	3:3:4:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]O[5]O)(H)	C[5](C[5]C[5a]C[5]H)(C[5]O[5]CH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]O[5]O)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5](C[5]C[5a]C[5]H)(C[5]O[5]CH)(H)2{1|O<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2H){1|C<4>,1|O<1>,1|O<2>,1|S<4>,2|C<3>,3|H<1>}	112.6655	0.108	2	113.0363	0.418	3	115.0031	2.781	12	114.8119	4.016	15	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:3:1:	4:4:1:1:	3:3:4:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]O[5]O)(H)	C[5](C[5]C[5a]C[5]H)(C[5]O[5]CH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]O[5]O)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5](C[5]C[5a]C[5]H)(C[5]O[5]CH)(H)2{1|O<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	113.7780	0.000	1	113.0363	0.418	3	115.0031	2.781	12	114.8119	4.016	15	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:3:1:	4:4:1:1:	3:3:4:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]O[5]O)(H)	C[5](C[5]C[5a]C[5]H)(C[5]O[5]HH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(C[5]C[5]2H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]O[5]O)(H){1|C<2>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5a]C[5]H)(C[5]O[5]HH)(H)2{1|O<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(C[5]C[5]2H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	116.9645	0.343	2	116.9645	0.118	2	115.0031	2.781	12	114.8119	4.016	15	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:3:1:	4:4:1:1:	3:3:4:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5a]-3:C[5a]-3:C[5]-4:	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HO)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(C[5]C[5]2H)	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HO)(H)2{2|C<3>,2|C<4>}	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(C[5]C[5]2H){1|C<3>,2|C<4>,3|H<1>}	112.1300	1.181	2	112.1300	1.394	2	112.1300	1.394	2	114.8119	4.016	15	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:3:1:	4:4:1:1:	3:3:4:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5a]-3:N[5a]-3:C[5]-4:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]O[5]O)(H)	C[5](C[5]C[5a]C[5]H)(C[5]O[5]CH)(H)2	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[5]C[5]2H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]O[5]O)(H){2|H<1>,4|C<3>}	C[5](C[5]C[5a]C[5]H)(C[5]O[5]CH)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[5]C[5]2H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	117.8810	0.000	1	117.8810	0.000	1	117.8810	0.000	1	114.8119	4.016	15	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:3:1:	4:4:1:1:	3:4:2:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5a]-3:C[5]-4:S[5a]-2:	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(H)2	C[5a](C[5a]N[5a]C)(C[5]C[5]2H)(S[5a]C[5a])	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5]C[5]2H)(S[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	113.7740	0.000	1	113.7740	0.000	1	113.7740	0.000	1	113.4247	1.027	3	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:3:1:	4:4:1:1:	3:4:2:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	N[5a]-3:C[5]-4:N[5a]-2:	C[5](C[5a]N[5a]2)(C[5]C[5]HH)(N[5]C[5]2)(H)	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2	C[5a](N[5a]C[6a]N[5a])(C[5]C[5]N[5]H)(N[5a]N[5a])	C[5](C[5a]N[5a]2)(C[5]C[5]HH)(N[5]C[5]2)(H){2|N<2>,3|C<3>,5|H<1>}	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5]C[5]N[5]H)(N[5a]N[5a]){2|C<3>,2|H<1>,3|C<4>}	114.2170	0.000	1	114.2170	0.000	1	113.2500	1.870	2	113.4247	1.027	3	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:3:1:	4:4:1:1:	3:4:2:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	N[5a]-3:C[5]-4:N[5a]-2:	C[5](C[5a]N[5a]2)(C[5]C[5]HH)(N[5]C[5]H)(H)	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2	C[5a](N[5a]N[5a]C[6])(C[5]C[5]N[5]H)(N[5a]N[5a])	C[5](C[5a]N[5a]2)(C[5]C[5]HH)(N[5]C[5]H)(H){1|C<4>,1|O<1>,2|H<1>,2|N<2>}	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[5a](N[5a]N[5a]C[6])(C[5]C[5]N[5]H)(N[5a]N[5a]){1|C<3>,3|C<4>,4|H<1>}	112.2830	0.000	1	112.2830	0.000	1	113.2500	1.870	2	113.4247	1.027	3	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:3:1:	4:4:1:1:	4:2:2:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5a]-2:S[5a]-2:	C[5](C[5a]N[5a]S[5a])(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2	C[5a](C[5]C[5]N[5]H)(N[5a]C[5a])(S[5a]C[5a])	C[5](C[5a]N[5a]S[5a])(C[5]C[5]HH)(N[5]C[5]C)(H){2|C<3>,4|H<1>}	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[5a](C[5]C[5]N[5]H)(N[5a]C[5a])(S[5a]C[5a]){2|C<3>,2|C<4>,3|H<1>}	112.6417	0.096	3	112.6417	0.009	3	112.6417	0.009	3	112.6417	0.009	3	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:3:1:	4:4:1:1:	4:3:2:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5a]-3:N[5a]-2:	C[5](C[5a]N[5a]2)(C[5]C[5]HH)(N[5]C[5]2)(H)	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2	C[5a](C[5]C[5]N[5]H)(N[5a]N[5a]C)(N[5a]N[5a])	C[5](C[5a]N[5a]2)(C[5]C[5]HH)(N[5]C[5]2)(H){1|C<4>,2|C<3>,2|N<2>,5|H<1>}	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5]C[5]N[5]H)(N[5a]N[5a]C)(N[5a]N[5a]){2|H<1>,3|C<4>}	115.8460	0.000	1	115.8460	0.000	1	113.3443	2.816	4	113.3443	2.816	4	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:3:1:	4:4:1:1:	4:3:2:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5a]-3:N[5a]-2:	C[5](C[5a]N[5a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2	C[5a](C[5]C[5]N[5]H)(N[5a]N[5a]C)(N[5a]N[5a])	C[5](C[5a]N[5a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<4>,2|N<2>,4|H<1>}	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5]C[5]N[5]H)(N[5a]N[5a]C)(N[5a]N[5a]){1|C<3>,2|C<4>,2|H<1>}	112.3795	0.021	2	112.3795	0.000	2	113.3443	2.816	4	113.3443	2.816	4	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:3:1:	4:4:1:1:	4:3:2:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5a]-3:N[5a]-2:	C[5](C[5a]N[5a]2)(C[5]C[5]HH)(N[5]C[5]H)(H)	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2	C[5a](C[5]C[5]N[5]H)(N[5a]N[5a]C)(N[5a]N[5a])	C[5](C[5a]N[5a]2)(C[5]C[5]HH)(N[5]C[5]H)(H){1|C<4>,1|O<1>,2|H<1>,2|N<2>}	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[5a](C[5]C[5]N[5]H)(N[5a]N[5a]C)(N[5a]N[5a]){1|C<3>,1|C<4>,3|H<1>}	112.7720	0.000	1	112.7720	0.000	1	113.3443	2.816	4	113.3443	2.816	4	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:3:1:	4:4:1:1:	4:3:3:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5a]N[5]H)(C[5]C[5]CO)(H)2	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[5](C[5]C[5a]N[5]H)(C[5]C[5]CO)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|C<3>,2|C<4>,3|H<1>}	114.6240	0.984	2	114.6240	0.969	2	114.6240	0.969	2	114.2698	0.690	6	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:3:1:	4:4:1:1:	4:3:3:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5a]-3:N[5a]-3:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(N[5]C[5]S)(H)	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(N[5a]C[5a]C)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(N[5]C[5]S)(H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(N[5a]C[5a]C){1|S<4>,2|C<4>,4|H<1>}	114.0927	0.838	4	114.0927	0.701	4	114.0927	0.701	4	114.2698	0.690	6	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:3:1:	4:4:3:1:	3:4:3:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(N[5]C[5]C)(H)	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(COO)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]N[5a]C)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(N[5]C[5]C)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(COO)(H){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]N[5a]C){2|H<1>,3|C<4>,4|C<3>}	112.8080	0.000	1	112.8080	0.000	1	112.8080	0.000	1	112.8080	0.000	1	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:3:1:	4:4:3:1:	4:3:2:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5](C[5a]C[5a]S[5a])(C[5]C[5]CH)(N[5]C[5]N)(H)	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(CNO)(H)	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a])	C[5](C[5a]C[5a]S[5a])(C[5]C[5]CH)(N[5]C[5]N)(H){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(CNO)(H){1|C<3>,1|N<2>,1|O<1>,1|S<2>}	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	113.9350	0.000	1	113.9350	0.000	1	113.9350	0.000	1	113.9350	0.000	1	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:3:1:	4:4:3:1:	4:3:3:	C[5,5a]-3:C[5]-4:C[5a]-3:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[5a]-3:N[5a]-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)	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[5a](C[5]C[5,5a]C[5]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]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){1|C<4>,2|H<1>,8|C<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){1|O<1>,2|H<1>,3|N<3>,6|C<3>}	C[5a](C[5]C[5,5a]C[5]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	112.0800	0.000	1	112.0800	0.000	1	112.0800	0.000	1	112.0800	0.000	1	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:3:1:	4:4:3:2:	4:3:2:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:C[5a]-3:O[5a]-2:	C[5](C[5a]C[5a]O[5a])(C[5]C[5]CO)(N[5]C[5]C)(H)	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(COO)(OH)	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[5](C[5a]C[5a]O[5a])(C[5]C[5]CO)(N[5]C[5]C)(H){1|N<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(COO)(OH){1|N<2>,1|O<2>,2|C<3>}	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	114.5990	0.000	1	114.5990	0.000	1	114.5990	0.000	1	114.5990	0.000	1	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:3:1:	4:4:4:4:	4:3:2:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:N[5a]-3:N[5a]-2:	C[5](C[5a]N[5a]2)(C[5]C[5]CC)(N[5]C[5]C)(H)	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(CH3)2	C[5a](C[5]C[5]N[5]H)(N[5a]C[5a]C)(N[5a]C[5a])	C[5](C[5a]N[5a]2)(C[5]C[5]CC)(N[5]C[5]C)(H){2|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(CH3)2{1|N<2>,1|N<3>,3|C<4>}	C[5a](C[5]C[5]N[5]H)(N[5a]C[5a]C)(N[5a]C[5a]){7|C<4>}	113.3840	0.000	1	113.3840	0.000	1	113.3840	0.000	1	113.3840	0.000	1	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:3:2:	4:4:1:1:	3:4:3:	C[5a]-3:C[5]-4:N[5]-3:C-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(N[5]C[5]C)(CN)	C[5](C[5]C[5a]N[5]C)(C[5]C[5]HH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]C)(C[5a]N[5a]H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(N[5]C[5]C)(CN){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[5a]N[5]C)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]C)(C[5a]N[5a]H){2|C<4>,3|C<3>,4|H<1>}	113.7690	0.000	1	113.7690	0.000	1	113.7690	0.000	1	113.7690	0.000	1	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:3:4:	4:3:1:1:	3:3:4:	C[5a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C[5]-4:	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5a]C[5]C)(C[5]C[5]H)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]S)(C[5]C[5]2C)	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]O)(CH3){1|C<3>,1|O<2>,2|H<1>,2|S<2>}	C[5](C[5]C[5a]C[5]C)(C[5]C[5]H)(H)2{1|O<1>,1|O<2>,2|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]S)(C[5]C[5]2C){1|O<1>,2|C<3>,3|H<1>}	114.0230	0.000	1	114.0230	0.000	1	114.0230	0.000	1	114.0230	0.000	1	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:3:4:	4:4:1:1:	3:2:4:	C[5a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5a]-3:O[5a]-2:C[5]-4:	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(C[5]O[5]O)(CC[6a]CH)	C[5](C[5]C[5a]C[5]C)(C[5]O[5]HH)(H)2	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(C[5]C[5]2C)	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(C[5]O[5]O)(CC[6a]CH){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5a]C[5]C)(C[5]O[5]HH)(H)2{1|C<3>,1|O<1>,1|O<2>}	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(C[5]C[5]2C){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	111.8385	0.397	2	111.8385	0.157	2	111.8627	0.080	3	111.8627	0.080	3	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:3:4:	4:4:1:1:	3:2:4:	C[5a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5a]-3:O[5a]-2:C[5]-4:	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(C[5]O[5]O)(CC[6a]CH)	C[5](C[5]C[5a]C[5]C)(C[5]O[5]HH)(H)2	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[5]C[5]2C)	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(C[5]O[5]O)(CC[6a]CH){2|C<3>,3|H<1>}	C[5](C[5]C[5a]C[5]C)(C[5]O[5]HH)(H)2{1|C<3>,1|O<1>,1|O<2>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[5]C[5]2C){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	111.9110	0.000	1	111.9110	0.000	1	111.8627	0.080	3	111.8627	0.080	3	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:3:4:	4:4:1:1:	3:3:4:	C[5a]-3:C[5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,5]HH)(C[5]N[5,5]O)(CH3)	C[5](C[5,5]N[5,5]O[5]C)(C[5]C[5a]C[5]C)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2C)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,5]HH)(C[5]N[5,5]O)(CH3){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[5,5]N[5,5]O[5]C)(C[5]C[5a]C[5]C)(H)2{1|O<1>,2|C<3>,2|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2C){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	112.1230	0.000	1	112.1230	0.000	1	112.1230	0.000	1	111.9367	2.975	6	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:3:4:	4:4:1:1:	3:3:4:	C[5a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5a]C[5]C)(C[5]C[5]HH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2C)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]O)(CH3){1|N<3>,3|C<3>,4|H<1>}	C[5](C[5]C[5a]C[5]C)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2C){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	111.1600	0.000	1	111.1600	0.000	1	111.1600	0.000	1	111.9367	2.975	6	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:3:4:	4:4:1:1:	3:3:4:	C[5a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5a]-3:C[5a]-3:C[5]-4:	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5a]2C[5])(C[5]C[5a]C[5]C)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]S)(C[5]C[5]2C)	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]O)(CH3){1|H<1>,1|O<1>,2|S<2>,3|C<3>}	C[5](C[5]C[5a]2C[5])(C[5]C[5a]C[5]C)(H)2{1|S<2>,2|O<1>,5|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]S)(C[5]C[5]2C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	108.9880	0.000	1	108.9880	0.000	1	112.0842	4.717	4	111.9367	2.975	6	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:3:4:	4:4:1:1:	3:3:4:	C[5a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5a]-3:C[5a]-3:C[5]-4:	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5a]C[5]C)(C[5]C[5]CC)(H)2	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[5]C[5]2C)	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]O)(CH3){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5a]C[5]C)(C[5]C[5]CC)(H)2{1|O<1>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[5]C[5]2C){1|O<1>,2|C<4>,4|H<1>}	113.0040	1.137	2	113.0040	1.293	2	112.0842	4.717	4	111.9367	2.975	6	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:3:4:	4:4:1:1:	3:3:4:	C[5a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5a]-3:C[5a]-3:C[5]-4:	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5a]C[5]C)(C[5]C[5]CC)(H)2	C[5a](C[5a]C[5a]C)(C[5a]O[5a]H)(C[5]C[5]2C)	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]O)(CH3){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5a]C[5]C)(C[5]C[5]CC)(H)2{1|O<1>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]O[5a]H)(C[5]C[5]2C){1|O<1>,2|C<4>,3|H<1>}	113.3410	0.000	1	113.3410	0.000	1	112.0842	4.717	4	111.9367	2.975	6	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:3:4:	4:4:3:1:	3:3:4:	C[5a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)	C[5](C[5]C[5a]C[5]C)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2C)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[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[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2C){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	111.5740	0.000	1	111.5740	0.000	1	111.5740	0.000	1	111.5740	0.000	1	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:3:4:	4:4:3:1:	3:4:2:	C[5a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5a]-3:C[5]-4:O[5a]-2:	C[5](C[5a]C[5a]O[5a])(C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)	C[5](C[5]C[5a]C[5]C)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a]H)(C[5]C[5]2C)(O[5a]C[5a])	C[5](C[5a]C[5a]O[5a])(C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3){1|C<4>,3|H<1>,5|C<3>}	C[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[5a](C[5a]C[5a]H)(C[5]C[5]2C)(O[5a]C[5a]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	112.6260	0.000	1	112.4330	0.074	2	112.4330	0.074	2	112.4330	0.074	2	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:3:4:	4:4:3:1:	3:4:2:	C[5a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5a]-3:C[5]-4:O[5a]-2:	C[5](C[5a]C[5a]O[5a])(C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)	C[5](C[5]C[5a]C[5]C)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a]H)(C[5]C[5]2C)(O[5a]C[5a])	C[5](C[5a]C[5a]O[5a])(C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3){1|C<4>,3|H<1>,5|C<3>}	C[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[5a](C[5a]C[5a]H)(C[5]C[5]2C)(O[5a]C[5a]){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	112.2400	0.000	1	112.4330	0.074	2	112.4330	0.074	2	112.4330	0.074	2	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:4:1:	3:4:3:1:	3:3:4:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	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[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5]H)(C[5]C[6a]C[5])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	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[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5]H)(C[5]C[6a]C[5])(H){1|C<2>,1|N<3>,2|H<1>,7|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H){4|H<1>,6|C<3>}	114.2930	1.220	2	114.2930	1.490	2	114.2930	1.490	2	114.2930	1.490	2	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:4:1:	4:2:1:1:	3:3:4:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(C[5]O[5]HH)(H)	C[5](C[5]C[5a]C[5]H)(O[5]C[5])(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(C[5]O[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5]C[5a]C[5]H)(O[5]C[5])(H)2{1|H<1>,1|O<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	114.4820	0.000	1	114.4820	0.000	1	114.4820	0.000	1	114.4820	0.000	1	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:4:1:	4:2:3:1:	3:3:4:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-2:C-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CN)(C[5]N[5]CH)(H)	C[5](C[5]C[5a]C[5]H)(N[5]C[5])(COO)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[5]2H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CN)(C[5]N[5]CH)(H){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5]C[5a]C[5]H)(N[5]C[5])(COO)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[5]2H){1|C<4>,1|N<2>,1|N<3>,3|H<1>,6|C<3>}	113.3070	0.000	1	113.3070	0.000	1	113.3070	0.000	1	113.3070	0.000	1	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:4:1:	4:2:4:3:	3:4:2:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:O[5]-2:C-4:C-3:	C[5a]-3:C[5]-4:S[5a]-2:	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(C[5]O[5]CC)(H)	C[5](C[5]C[5a]C[5]H)(O[5]C[5])(CClCH)(COO)	C[5a](C[5a]C[5a]H)(C[5]C[5]2H)(S[5a]C[5a])	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(C[5]O[5]CC)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5a]C[5]H)(O[5]C[5])(CClCH)(COO){1|C<3>,1|O<1>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5]C[5]2H)(S[5a]C[5a]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	116.9860	0.000	1	116.9860	0.000	1	116.9860	0.000	1	116.9860	0.000	1	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:4:1:	4:3:1:1:	3:4:2:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5a]-3:C[5]-4:O[5a]-2:	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(C[5]N[5]CC)(H)	C[5](C[5]C[5a]C[5]H)(C[5]N[5]O)(H)2	C[5a](C[5a]C[5a]H)(C[5]C[5]2H)(O[5a]C[5a])	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(C[5]N[5]CC)(H){1|H<1>,1|O<1>,3|C<3>}	C[5](C[5]C[5a]C[5]H)(C[5]N[5]O)(H)2{1|O<2>,4|C<3>}	C[5a](C[5a]C[5a]H)(C[5]C[5]2H)(O[5a]C[5a]){1|N<3>,3|C<3>,4|H<1>}	113.1035	0.674	2	113.1035	0.454	2	113.1035	0.454	2	114.2995	1.678	6	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:4:1:	4:3:1:1:	3:4:2:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5a]-3:C[5]-4:S[5a]-2:	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(C[5]N[5]CC)(H)	C[5](C[5]C[5a]C[5]H)(C[5]N[5]O)(H)2	C[5a](C[5a]C[5a]H)(C[5]C[5]2H)(S[5a]C[5a])	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(C[5]N[5]CC)(H){1|H<1>,1|O<1>,3|C<3>}	C[5](C[5]C[5a]C[5]H)(C[5]N[5]O)(H)2{1|S<2>,4|C<3>}	C[5a](C[5a]C[5a]H)(C[5]C[5]2H)(S[5a]C[5a]){1|N<3>,3|C<3>,4|H<1>}	115.4190	0.000	1	115.4190	0.000	1	114.8470	0.654	2	114.2995	1.678	6	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:4:1:	4:3:1:1:	3:4:2:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5a]-3:C[5]-4:S[5a]-2:	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(C[5]O[5]CC)(H)	C[5](C[5]C[5a]C[5]H)(C[5]O[5]O)(H)2	C[5a](C[5a]C[5a]H)(C[5]C[5]2H)(S[5a]C[5a])	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(C[5]O[5]CC)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5a]C[5]H)(C[5]O[5]O)(H)2{1|C<4>,1|S<2>,2|C<3>}	C[5a](C[5a]C[5a]H)(C[5]C[5]2H)(S[5a]C[5a]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	114.2750	0.000	1	114.2750	0.000	1	114.8470	0.654	2	114.2995	1.678	6	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:4:1:	4:3:1:1:	3:4:2:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5a]-3:C[5]-4:O[5a]-2:	C[5](C[5a]C[5a]O[5a])(C[5]C[5,5]CH)(C[5]N[5]HH)(H)	C[5](C[5]C[5a]C[5]H)(N[5]C[5,5]C)(H)2	C[5a](C[5a]C[5a]H)(C[5]C[5]2H)(O[5a]C[5a])	C[5](C[5a]C[5a]O[5a])(C[5]C[5,5]CH)(C[5]N[5]HH)(H){1|C<4>,1|H<1>,4|C<3>}	C[5](C[5]C[5a]C[5]H)(N[5]C[5,5]C)(H)2{1|H<1>,1|O<2>,4|C<3>}	C[5a](C[5a]C[5a]H)(C[5]C[5]2H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	113.7270	0.000	1	113.7270	0.000	1	113.7270	0.000	1	114.2995	1.678	6	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:4:1:	4:3:1:1:	3:4:2:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5a]-3:C[5]-4:S[5a]-2:	C[5](C[5a]C[5a]S[5a])(C[5]C[5,5]CC)(C[5]N[5]HH)(H)	C[5](C[5]C[5a]C[5]H)(N[5]C[5,5]C)(H)2	C[5a](C[5a]C[5a]H)(C[5]C[5]2H)(S[5a]C[5a])	C[5](C[5a]C[5a]S[5a])(C[5]C[5,5]CC)(C[5]N[5]HH)(H){1|C<4>,1|H<1>,4|C<3>}	C[5](C[5]C[5a]C[5]H)(N[5]C[5,5]C)(H)2{1|C<2>,1|S<2>,4|C<3>}	C[5a](C[5a]C[5a]H)(C[5]C[5]2H)(S[5a]C[5a]){1|C<2>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	116.1690	0.000	1	116.1690	0.000	1	116.1690	0.000	1	114.2995	1.678	6	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:4:1:	4:3:2:1:	3:4:2:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5a]-3:C[5]-4:O[5a]-2:	C[5](C[5a]C[5a]O[5a])(C[5]C[5]CH)(C[5]C[5]HO)(H)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]C)(OC)(H)	C[5a](C[5a]C[5a]H)(C[5]C[5]2H)(O[5a]C[5a])	C[5](C[5a]C[5a]O[5a])(C[5]C[5]CH)(C[5]C[5]HO)(H){2|H<1>,4|C<3>}	C[5](C[5]C[5a]C[5]H)(C[5]C[5]C)(OC)(H){1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[5]C[5]2H)(O[5a]C[5a]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	115.2260	0.000	1	115.2260	0.000	1	115.2260	0.000	1	115.2260	0.000	1	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:4:1:	4:3:3:1:	3:3:4:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]O)(COO)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(C[5]C[5]HH)(H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[5a]C[5]H)(C[5]C[5]O)(COO)(H){2|C<3>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|C<4>,4|C<3>,5|H<1>}	114.1800	0.000	1	114.1800	0.000	1	115.8690	5.705	2	116.1646	2.116	5	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:4:1:	4:3:3:1:	3:3:4:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(C[5]O[5]HH)(H)	C[5](C[5]C[5a]C[5]H)(C[5]O[5]O)(CCO)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(C[5]O[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5]C[5a]C[5]H)(C[5]O[5]O)(CCO)(H){2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	117.5580	0.000	1	117.5580	0.000	1	115.8690	5.705	2	116.1646	2.116	5	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:4:1:	4:3:3:1:	3:3:4:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	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[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	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[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[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H){4|H<1>,6|C<3>}	116.2070	1.525	2	116.2070	2.324	2	116.2070	2.324	2	116.1646	2.116	5	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:4:1:	4:3:3:1:	3:3:4:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5a]-3:N[5a]-3:C[5]-4:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HN)(C[5]N[5]CH)(H)	C[5](C[5]C[5a]C[5]H)(N[5]C[5]H)(COO)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[5]C[5]2H)	C[5](C[5a]C[5a]N[5a])(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[5a]C[5]H)(N[5]C[5]H)(COO)(H){2|C<3>,2|H<1>,2|N<3>}	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[5]C[5]2H){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	116.6710	0.000	1	116.6710	0.000	1	116.6710	0.000	1	116.1646	2.116	5	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:4:1:	4:3:3:1:	3:4:2:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5a]-3:C[5]-4:O[5a]-2:	C[5](C[5a]C[5a]O[5a])(C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(H)	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[5a](C[5a]C[5a]N)(C[5]C[5]2H)(O[5a]N[5a])	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[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[5a](C[5a]C[5a]N)(C[5]C[5]2H)(O[5a]N[5a]){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	112.2280	0.000	1	112.2280	0.000	1	112.2280	0.000	1	112.2280	0.000	1	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:4:1:	4:3:3:3:	3:4:2:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:C-3:	C[5a]-3:C[5]-4:O[5a]-2:	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(C[5]N[5]CC)(H)	C[5](C[5]C[5a]C[5]H)(N[5]C[6a]C[5])(COO)2	C[5a](C[5a]C[5a]H)(C[5]C[5]2H)(O[5a]C[5a])	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(C[5]N[5]CC)(H){1|H<1>,1|O<1>,3|C<3>}	C[5](C[5]C[5a]C[5]H)(N[5]C[6a]C[5])(COO)2{1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[5]C[5]2H)(O[5a]C[5a]){1|N<3>,3|C<3>,4|H<1>}	116.9460	0.897	2	116.9460	0.804	2	116.9460	0.804	2	116.6220	0.717	3	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:4:1:	4:3:3:3:	3:4:2:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:C-3:	C[5a]-3:C[5]-4:S[5a]-2:	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(C[5]N[5]CC)(H)	C[5](C[5]C[5a]C[5]H)(N[5]C[6a]C[5])(COO)2	C[5a](C[5a]C[5a]H)(C[5]C[5]2H)(S[5a]C[5a])	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(C[5]N[5]CC)(H){1|H<1>,1|O<1>,3|C<3>}	C[5](C[5]C[5a]C[5]H)(N[5]C[6a]C[5])(COO)2{1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[5]C[5]2H)(S[5a]C[5a]){1|N<3>,3|C<3>,4|H<1>}	115.9740	0.000	1	115.9740	0.000	1	115.9740	0.000	1	116.6220	0.717	3	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:4:1:	4:3:4:1:	3:4:2:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5a]-3:C[5]-4:O[5a]-2:	C[5](C[5a]C[5a]O[5a])(C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(H)	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5a](C[5a]C[5a]N)(C[5]C[5]2H)(O[5a]N[5a])	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[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[5a](C[5a]C[5a]N)(C[5]C[5]2H)(O[5a]N[5a]){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	114.8310	0.000	1	114.8310	0.000	1	114.8310	0.000	1	114.8310	0.000	1	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:4:1:	4:3:4:3:	3:3:4:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:N-3:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CN)(C[5]N[5]CH)(H)	C[5](C[5]C[5a]C[5]H)(C[5]N[5]H)(CH3)(NOO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[5]2H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CN)(C[5]N[5]CH)(H){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5]C[5a]C[5]H)(C[5]N[5]H)(CH3)(NOO){1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[5]2H){1|C<4>,1|N<2>,1|N<3>,3|H<1>,6|C<3>}	115.7830	0.000	1	115.7830	0.000	1	115.7830	0.000	1	115.7830	0.000	1	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(C[5]C[5]HH)(H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|C<4>,4|C<3>,5|H<1>}	116.5920	0.000	1	115.0047	2.348	3	115.2212	1.381	5	115.2032	1.106	6	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	C[5](C[5a]C[5a,6a]C[5a])(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[5a]C[5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H){2|C<3>,3|C<4>,5|H<1>}	114.8880	0.000	1	115.0047	2.348	3	115.2212	1.381	5	115.2032	1.106	6	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	C[5](C[5a]C[5a,6a]C[5a])(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[5a]C[5]H)(C[5]C[5]HH)(H)2{3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H){2|C<4>,3|C<3>,5|H<1>}	113.5340	0.000	1	115.0047	2.348	3	115.2212	1.381	5	115.2032	1.106	6	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]HO)(H)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]HO)(H){1|N<3>,2|C<3>,5|H<1>}	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	115.5460	0.689	2	115.5460	0.474	2	115.2212	1.381	5	115.2032	1.106	6	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5a]-3:C[5a]-3:C[5]-4:	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]CH)(H)2	C[5a](C[5a]N[5a]H)2(C[5]C[5]2H)	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,4|H<1>}	C[5](C[5]C[5a]C[5]H)(C[5]C[5]CH)(H)2{2|C<3>,2|H<1>,2|O<2>}	C[5a](C[5a]N[5a]H)2(C[5]C[5]2H){1|O<2>,3|C<4>,3|H<1>}	115.1130	0.000	1	115.1130	0.000	1	115.1130	0.000	1	115.2032	1.106	6	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:4:1:	4:4:1:1:	4:3:2:	C[5a]-3:C[5]-4:N[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(N[5]C[5]HS)(H)	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a])	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(N[5]C[5]HS)(H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,1|S<4>,2|H<1>}	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|S<4>,2|C<4>,5|H<1>}	113.5430	0.000	1	113.5430	0.000	1	113.5430	0.000	1	113.5430	0.000	1	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:4:1:	4:4:2:1:	3:3:4:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]HO)(H)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(OC)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]HO)(H){1|N<3>,2|C<3>,5|H<1>}	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(OC)(H){2|C<3>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	116.5830	0.608	2	116.5830	0.370	2	116.5830	0.370	2	115.5967	3.103	3	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:4:1:	4:4:2:1:	3:3:4:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5a]-3:C[5a]-3:C[5]-4:	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HO)(OH)(H)	C[5a](C[5a]N[5a]H)2(C[5]C[5]2H)	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,4|H<1>}	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	C[5a](C[5a]N[5a]H)2(C[5]C[5]2H){1|O<2>,3|C<4>,3|H<1>}	113.6240	0.000	1	113.6240	0.000	1	113.6240	0.000	1	115.5967	3.103	3	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CHO)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	C[5](C[5a]C[5a,6a]C[5a])(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[5a]C[5]H)(C[5]C[5]HH)(CHO)(H){2|C<3>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H){2|C<4>,3|C<3>,5|H<1>}	115.2610	0.000	1	115.2610	0.000	1	115.2610	0.000	1	114.6990	0.632	2	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5a]-3:N[5a]-3:C[5]-4:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HN)(C[5]N[5]CH)(H)	C[5](C[5]C[5a]C[5]H)(C[5]C[6a]N[5]H)(NOO)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[5]C[5]2H)	C[5](C[5a]C[5a]N[5a])(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[5a]C[5]H)(C[5]C[6a]N[5]H)(NOO)(H){1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[5]C[5]2H){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	114.1370	0.000	1	114.1370	0.000	1	114.1370	0.000	1	114.6990	0.632	2	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:4:1:	4:4:3:1:	3:4:2:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5a]-3:C[5]-4:O[5a]-2:	C[5](C[5a]C[5a]O[5a])(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[5a]C[5]H)(CCO)(H)	C[5a](C[5a]C[5a]H)(C[5]C[5]2H)(O[5a]C[5a])	C[5](C[5a]C[5a]O[5a])(C[5]C[5,5]CH)(C[5]N[5]HH)(H){1|C<4>,1|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5a]C[5]H)(CCO)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[5]C[5]2H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	111.1760	0.000	1	111.1760	0.000	1	111.1760	0.000	1	114.2735	19.189	2	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:4:1:	4:4:3:1:	3:4:2:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5a]-3:C[5]-4:O[5a]-2:	C[5](C[5a]C[5a]O[5a])(C[5]C[5]CH)(C[5]C[5]HO)(H)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]CH)(CCrO)(H)	C[5a](C[5a]C[5a]H)(C[5]C[5]2H)(O[5a]C[5a])	C[5](C[5a]C[5a]O[5a])(C[5]C[5]CH)(C[5]C[5]HO)(H){2|H<1>,4|C<3>}	C[5](C[5]C[5a]C[5]H)(C[5]C[5]CH)(CCrO)(H){1|H<1>,2|C<3>,2|O<2>}	C[5a](C[5a]C[5a]H)(C[5]C[5]2H)(O[5a]C[5a]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	117.3710	0.000	1	117.3710	0.000	1	117.3710	0.000	1	114.2735	19.189	2	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:4:1:	4:4:3:1:	3:4:3:	C[5a]-3:C[5]-4:N[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(N[5]C[5]CH)(H)	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(CCO)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]N[5a]C)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(N[5]C[5]CH)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(CCO)(H){1|C<4>,2|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]N[5a]C){3|C<3>,3|C<4>,4|H<1>}	118.7555	0.115	2	118.7555	0.013	2	118.7555	0.013	2	118.7555	0.013	2	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:4:1:	4:4:3:2:	3:4:2:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-3:C-2:	C[5a]-3:C[5]-4:S[5a]-2:	C[5](C[5a]C[5a]S[5a])(C[5]C[5,5]CC)(C[5]N[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5a]C[5]H)(CC[5a]O)(CN)	C[5a](C[5a]C[5a]H)(C[5]C[5]2H)(S[5a]C[5a])	C[5](C[5a]C[5a]S[5a])(C[5]C[5,5]CC)(C[5]N[5]HH)(H){1|C<4>,1|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5a]C[5]H)(CC[5a]O)(CN){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[5]C[5]2H)(S[5a]C[5a]){1|C<2>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	113.6800	0.000	1	113.6800	0.000	1	113.6800	0.000	1	113.6800	0.000	1	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:4:1:	4:4:4:1:	3:3:4:	C[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CHHN)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	C[5](C[5a]C[5a,6a]C[5a])(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[5a]C[5]H)(C[5]C[5]HH)(CHHN)(H){2|C<3>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H){2|C<3>,3|C<4>,5|H<1>}	115.7560	0.000	1	115.7560	0.000	1	115.7560	0.000	1	120.4810	10.234	4	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:4:1:	4:4:4:1:	3:3:4:	C[5a]-3:C[5]-4:N[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]2H)(N[5]C[5]CH)(H)	C[5](C[5]C[5a]N[5]H)(C[5]C[5]O[5]O)(C[5]C[5]HH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(C[5]C[5]N[5]H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]2H)(N[5]C[5]CH)(H){1|N<3>,2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5](C[5]C[5a]N[5]H)(C[5]C[5]O[5]O)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(C[5]C[5]N[5]H){3|H<1>,4|C<3>,6|C<4>}	122.6610	0.000	1	122.0560	0.467	3	122.0560	0.467	3	120.4810	10.234	4	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:4:1:	4:4:4:1:	3:3:4:	C[5a]-3:C[5]-4:N[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]2H)(N[5]C[5]CH)(H)	C[5](C[5]C[5a]N[5]H)(C[5]C[5]O[5]O)(C[5]C[5]HH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(C[5]C[5]N[5]H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]2H)(N[5]C[5]CH)(H){1|N<3>,2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5](C[5]C[5a]N[5]H)(C[5]C[5]O[5]O)(C[5]C[5]HH)(H){2|C<3>,4|C<4>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(C[5]C[5]N[5]H){3|C<3>,4|H<1>,6|C<4>}	121.7535	0.620	2	122.0560	0.467	3	122.0560	0.467	3	120.4810	10.234	4	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:4:3:	4:2:1:1:	3:3:4:	C[5a]-3:C[5]-4:C[5]-4:C-3:	C[5]-4:O[5]-2:H-1:H-1:	C[5a]-3:N[5a]-3:C[5]-4:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]CH)(C[5]O[5]HH)(COO)	C[5](C[5]C[5a]C[5]C)(O[5]C[5])(H)2	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(C[5]C[5]2C)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]CH)(C[5]O[5]HH)(COO){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[5]C[5a]C[5]C)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(C[5]C[5]2C){1|N<4>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	106.6365	0.754	2	106.6365	0.569	2	106.8503	0.422	3	106.8503	0.422	3	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:4:3:	4:2:1:1:	3:3:4:	C[5a]-3:C[5]-4:C[5]-4:C-3:	C[5]-4:O[5]-2:H-1:H-1:	C[5a]-3:N[5a]-3:C[5]-4:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]CO)(C[5]O[5]HH)(COO)	C[5](C[5]C[5a]C[5]C)(O[5]C[5])(H)2	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[5]C[5]2C)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]CO)(C[5]O[5]HH)(COO){1|O<2>,2|C<4>,3|C<3>}	C[5](C[5]C[5a]C[5]C)(O[5]C[5])(H)2{1|C<3>,1|N<3>,2|C<4>,2|O<2>}	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[5]C[5]2C){1|N<4>,2|C<3>,2|O<2>,3|C<4>,3|H<1>}	107.2780	0.000	1	107.2780	0.000	1	106.8503	0.422	3	106.8503	0.422	3	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:4:3:	4:4:1:1:	3:4:2:	C[5a]-3:C[5]-4:C[5]-4:N-3:	C[5]-4:C[5]-4:H-1:H-1:	N[5a]-3:C[5]-4:N[5a]-2:	C[5](C[5a]N[5a]2)(C[5]C[5]HH)2(NCH)	C[5](C[5]C[5a]C[5]N)(C[5]C[5]HH)(H)2	C[5a](N[5a]N[5a]C)(C[5]C[5]2N)(N[5a]N[5a])	C[5](C[5a]N[5a]2)(C[5]C[5]HH)2(NCH){1|C<4>,2|N<2>,4|H<1>}	C[5](C[5]C[5a]C[5]N)(C[5]C[5]HH)(H)2{1|N<2>,1|N<3>,4|H<1>}	C[5a](N[5a]N[5a]C)(C[5]C[5]2N)(N[5a]N[5a]){2|C<4>,4|H<1>}	111.1578	1.926	6	111.1578	3.708	6	111.1578	3.708	6	111.1578	3.708	6	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:4:3:	4:4:4:1:	3:3:4:	C[5a]-3:C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-4:C-4:H-1:	C[5a]-3:N[5a]-3:C[5]-4:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]CH)(C[5]O[5]HH)(COO)	C[5](C[5]C[5a]C[5]C)(C[5]C[5]O[5]O)(CCHH)(H)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(C[5]C[5]2C)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]CH)(C[5]O[5]HH)(COO){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[5]C[5a]C[5]C)(C[5]C[5]O[5]O)(CCHH)(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(C[5]C[5]2C){1|N<4>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	114.4125	0.425	2	114.4125	0.181	2	114.4125	0.181	2	114.4125	0.181	2	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:4:3:	4:4:4:2:	3:3:4:	C[5a]-3:C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-4:C-4:O-2:	C[5a]-3:N[5a]-3:C[5]-4:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]CO)(C[5]O[5]HH)(COO)	C[5](C[5]C[5a]C[5]C)(C[5]C[5]O[5]O)(CCHH)(OH)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[5]C[5]2C)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]CO)(C[5]O[5]HH)(COO){1|O<2>,2|C<4>,3|C<3>}	C[5](C[5]C[5a]C[5]C)(C[5]C[5]O[5]O)(CCHH)(OH){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[5]C[5]2C){1|N<4>,2|C<3>,2|O<2>,3|C<4>,3|H<1>}	113.2100	0.000	1	113.2100	0.000	1	113.2100	0.000	1	113.2100	0.000	1	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:4:4:	4:3:1:1:	3:3:4:	C[5a]-3:C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5a]-3:C[5a]-3:C[5]-4:	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]N[5]HH)(CCHH)	C[5](C[5]C[5a]C[5]C)(N[5]C[5]C)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(C[5]C[5]2C)	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]N[5]HH)(CCHH){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5a]C[5]C)(N[5]C[5]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(C[5]C[5]2C){1|C<4>,1|N<3>,5|H<1>}	112.3560	0.000	1	112.3560	0.000	1	112.3560	0.000	1	112.3560	0.000	1	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5a]-3:C[5]-4:C[5]-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]HO)(CH3)	C[5](C[5]C[5a]C[5]C)(C[5]C[5]HH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2C)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]HO)(CH3){1|N<3>,3|C<3>,4|H<1>}	C[5](C[5]C[5a]C[5]C)(C[5]C[5]HH)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2C){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	113.6720	0.021	2	113.6720	0.000	2	113.6720	0.000	2	112.7183	2.729	3	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5a]-3:C[5]-4:C[5]-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5a]-3:C[5a]-3:C[5]-4:	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]N[5]HH)(CCHH)	C[5](C[5]C[5a]C[5]C)(C[5]C[6a]N[5]C)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(C[5]C[5]2C)	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]N[5]HH)(CCHH){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5a]C[5]C)(C[5]C[6a]N[5]C)(H)2{2|H<1>,5|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(C[5]C[5]2C){1|C<4>,1|N<3>,5|H<1>}	110.8110	0.000	1	110.8110	0.000	1	110.8110	0.000	1	112.7183	2.729	3	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	3:4:4:4:	4:4:2:1:	3:3:4:	C[5a]-3:C[5]-4:C[5]-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]HO)(CH3)	C[5](C[5]C[5a]C[5]C)(C[5]C[6a]C[5]H)(OC)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2C)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]HO)(CH3){1|N<3>,3|C<3>,4|H<1>}	C[5](C[5]C[5a]C[5]C)(C[5]C[6a]C[5]H)(OC)(H){4|C<3>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2C){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	112.0305	0.245	2	112.0305	0.060	2	112.0305	0.060	2	112.0305	0.060	2	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	4:2:3:1:	4:4:1:1:	4:3:3:	C[5]-4:O[5]-2:C[5a]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5](C[5]C[5,6]HH)(O[5]C[5,5,6])(C[5a]C[5a]2)(H)	C[5](C[5,6]C[5,5,6]C[6,6]C)(C[5]C[5a]O[5]H)(H)2	C[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[5](C[5]C[5,6]HH)(O[5]C[5,5,6])(C[5a]C[5a]2)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,5,6]C[6,6]C)(C[5]C[5a]O[5]H)(H)2{1|H<1>,3|C<3>,3|C<4>}	C[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H){2|C<4>,3|H<1>}	116.8860	0.000	1	116.8860	0.000	1	116.8860	0.000	1	116.8860	0.000	1	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	4:3:2:1:	4:4:1:1:	4:3:3:	C[5]-4:C[5a]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5](C[5]C[5,6]HH)(C[5a]C[5a]2)(O[5]C[5])(H)	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5a]O[5]H)(H)2	C[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[5](C[5]C[5,6]HH)(C[5a]C[5a]2)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5a]O[5]H)(H)2{1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|C<3>,1|C<4>,3|H<1>}	116.0030	0.000	1	115.5082	0.705	6	115.5082	0.705	6	115.5082	0.705	6	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	4:3:2:1:	4:4:1:1:	4:3:3:	C[5]-4:C[5a]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5](C[5]C[5,6]HH)(C[5a]C[5a]2)(O[5]C[5])(H)	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5a]O[5]H)(H)2	C[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[5](C[5]C[5,6]HH)(C[5a]C[5a]2)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5a]O[5]H)(H)2{1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|C<3>,1|C<4>,3|H<1>}	115.9580	0.000	1	115.5082	0.705	6	115.5082	0.705	6	115.5082	0.705	6	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	4:3:2:1:	4:4:1:1:	4:3:3:	C[5]-4:C[5a]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5](C[5]C[5,6]HH)(C[5a]C[5a]2)(O[5]C[5])(H)	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5a]O[5]H)(H)2	C[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[5](C[5]C[5,6]HH)(C[5a]C[5a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5a]O[5]H)(H)2{1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|C<3>,1|C<4>,3|H<1>}	115.2720	0.976	4	115.5082	0.705	6	115.5082	0.705	6	115.5082	0.705	6	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	4:3:2:4:	3:4:3:1:	4:3:2:	C[5]-4:C[5a]-3:O[5]-2:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5](C[5]C[5,6a]C[6a]H)(C[5a]C[5a]S[5a])(O[5]C[5,6a])(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]O[5]C)(C[6a]C[6a]2)(H)	C[5a](C[5]C[5]O[5]C)(C[5a]C[5a]H)(S[5a]C[5a])	C[5](C[5]C[5,6a]C[6a]H)(C[5a]C[5a]S[5a])(O[5]C[5,6a])(CH3){1|H<1>,6|C<3>}	C[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[5a](C[5]C[5]O[5]C)(C[5a]C[5a]H)(S[5a]C[5a]){3|C<3>,3|H<1>}	112.5090	0.000	1	112.5090	0.000	1	112.5090	0.000	1	112.5090	0.000	1	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	4:3:3:1:	4:4:1:1:	3:3:4:	C[5]-4:C[5]-3:C[5a]-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5a]-3:C[5a]-3:C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(C[5a]C[5a]2)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5a]C[5]H)(H)2	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(C[5a]C[5a]2)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5a]C[5]H)(H)2{2|C<3>,3|C<4>}	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(C[5]C[5]2H){1|C<3>,2|C<4>,3|H<1>}	113.3417	0.145	3	113.3417	0.021	3	113.3417	0.021	3	113.3417	0.021	3	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	4:3:3:1:	4:4:3:1:	3:4:2:	C[5]-4:C[5a]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5a]-3:C[5]-4:O[5a]-2:	C[5](C[5]C[5,5]C[6a]H)(C[5a]C[5a]O[5a])(C[5]N[5]S)(H)	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[5a](C[5a]C[5a]N)(C[5]C[5]2H)(O[5a]N[5a])	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[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[5a](C[5a]C[5a]N)(C[5]C[5]2H)(O[5a]N[5a]){1|C<3>,1|H<1>,1|N<3>,1|S<1>,2|C<4>}	114.7280	0.000	1	114.7280	0.000	1	114.7280	0.000	1	114.7280	0.000	1	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	4:3:4:1:	4:2:1:1:	3:3:4:	C[5]-4:C[5a]-3:C[5]-4:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5a]-3:C[5a]-3:C[5]-4:	C[5](C[5]C[6a]C[5]O)(C[5a]C[5a]2)(C[5]S[5]HH)(H)	C[5](C[5]C[5a]C[5]H)(S[5]C[5])(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2H)	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[5](C[5]C[5a]C[5]H)(S[5]C[5])(H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2H){1|C<3>,1|C<4>,1|O<2>,1|S<2>,3|H<1>}	113.8660	0.397	2	113.8660	0.158	2	113.8660	0.158	2	113.8660	0.158	2	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	4:3:4:1:	4:3:1:1:	3:4:3:	C[5,5]-4:C[5a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5a]C[5a,6a]C[5a])(C[5]N[5]HH)(H)	C[5](C[5]C[5,5]C[5a]H)(N[5]C[5,5]S)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5]C[5]H)(C[5a]N[5a]H)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5a]C[5a,6a]C[5a])(C[5]N[5]HH)(H){1|S<4>,2|H<1>,2|N<3>,4|C<3>}	C[5](C[5]C[5,5]C[5a]H)(N[5]C[5,5]S)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5]C[5]H)(C[5a]N[5a]H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	112.7265	0.999	2	112.7265	0.998	2	112.7265	0.998	2	112.7265	0.998	2	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	4:3:4:1:	4:3:1:1:	4:3:2:	C[5,6]-4:C[5a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5a]-3:O[5a]-2:	C[5](C[5,6]C[5,5]C[6]2)(C[5a]C[5a]O[5a])(C[5]N[5]HH)(H)	C[5](C[5]C[5,6]C[5a]H)(N[5]C[5,5]C)(H)2	C[5a](C[5]C[5,6]C[5]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[5](C[5,6]C[5,5]C[6]2)(C[5a]C[5a]O[5a])(C[5]N[5]HH)(H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[5](C[5]C[5,6]C[5a]H)(N[5]C[5,5]C)(H)2{1|C<4>,1|O<2>,4|C<3>}	C[5a](C[5]C[5,6]C[5]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	113.6120	0.000	1	113.6120	0.000	1	113.6120	0.000	1	113.6120	0.000	1	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5,6]-4:C[5a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5](C[5,6]C[5,5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6]C[5a]H)(C[5]C[5,5,6]O)(H)2	C[5a](C[5]C[5,6]C[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5](C[5]C[5,6]C[5a]H)(C[5]C[5,5,6]O)(H)2{3|C<3>,3|C<4>}	C[5a](C[5]C[5,6]C[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|C<3>,3|C<4>,3|H<1>}	114.4500	0.177	2	114.4500	0.031	2	114.9130	1.519	13	114.9130	1.519	13	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5,6]-4:C[5a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6]H)(H)2	C[5a](C[5]C[5,6]C[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6]H)(H)2{2|C<3>,3|C<4>}	C[5a](C[5]C[5,6]C[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H){2|C<3>,2|C<4>,3|H<1>}	115.1161	1.431	9	115.1161	2.048	9	114.9130	1.519	13	114.9130	1.519	13	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5,6]-4:C[5a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6]O)(H)2	C[5a](C[5]C[5,6]C[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]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[5a]H)(C[5]C[5,6]O)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[5a](C[5]C[5,6]C[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|C<3>,3|C<4>,3|H<1>}	114.4620	0.779	2	114.4620	0.607	2	114.9130	1.519	13	114.9130	1.519	13	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	4:3:4:1:	4:3:4:2:	3:3:4:	C[5]-4:C[5a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-4:O-2:	C[5a]-3:C[5a]-3:C[5]-4:	C[5](C[5]C[6a]C[5]O)(C[5a]C[5a]2)(C[5]S[5]HH)(H)	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]S[5]HH)(OH)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2H)	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[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[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2H){1|C<3>,1|C<4>,1|O<2>,1|S<2>,3|H<1>}	115.5240	0.385	2	115.5240	0.148	2	115.5240	0.148	2	115.5240	0.148	2	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	4:3:4:1:	4:4:1:1:	3:4:3:	C[5,6]-4:C[5a]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](C[5,6]C[6,6]O[5,6]C)(C[5a]C[5a,6a]C[5a])(C[5]C[5,6]HH)(H)	C[5](C[5,6]O[5,6]C[6]N)(C[5]C[5,6]C[5a]H)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6]C[5]H)(C[5a]N[5a]H)	C[5](C[5,6]C[6,6]O[5,6]C)(C[5a]C[5a,6a]C[5a])(C[5]C[5,6]HH)(H){2|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[5](C[5,6]O[5,6]C[6]N)(C[5]C[5,6]C[5a]H)(H)2{1|C<2>,1|O<1>,2|C<3>,2|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6]C[5]H)(C[5a]N[5a]H){1|C<2>,1|O<2>,1|S<4>,2|C<3>,2|C<4>,3|H<1>}	116.9370	0.000	1	116.9370	0.000	1	116.9370	0.000	1	116.9370	0.000	1	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	4:3:4:1:	4:4:1:1:	4:3:2:	C[5,5]-4:C[5a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5a]C[5a]S[5a])(C[5]C[5]HH)(H)	C[5](C[5]C[5,5]C[5a]H)(C[5]C[6a]N[5]O)(H)2	C[5a](C[5]C[5,5]C[5]H)(C[5a]C[5a]H)(S[5a]C[5a])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5a]C[5a]S[5a])(C[5]C[5]HH)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,6|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[5a](C[5]C[5,5]C[5]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	115.6840	0.000	1	115.6840	0.000	1	115.6840	0.000	1	115.6840	0.000	1	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	4:3:4:1:	4:4:1:1:	4:3:3:	C[5,6]-4:C[5a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6]HO)(H)2	C[5a](C[5]C[5,6]C[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,3|O<2>,4|H<1>}	C[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6]HO)(H)2{2|C<4>,3|C<3>}	C[5a](C[5]C[5,6]C[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|C<3>,3|C<4>,3|H<1>}	115.9620	0.287	2	115.9620	0.082	2	115.9620	0.082	2	115.9620	0.082	2	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	4:3:4:1:	4:4:2:1:	4:3:3:	C[5,6]-4:C[5a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]2)(C[5]C[5]HO)(H)	C[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6]HH)(OC)(H)	C[5a](C[5]C[5,6]C[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5a]C[5a]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[5a]H)(C[5]C[5,6]HH)(OC)(H){1|O<2>,2|C<3>,3|C<4>}	C[5a](C[5]C[5,6]C[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|O<2>,2|H<1>,4|C<4>}	116.3110	0.000	1	116.3110	0.000	1	116.3110	0.000	1	116.3110	0.000	1	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	4:3:4:1:	4:4:3:1:	3:4:3:	C[5,5]-4:C[5a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:N-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5a]C[5a,6a]C[5a])(C[5]C[5,5]HN)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[5a]H)(NOO)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5]C[5]H)(C[5a]N[5a]H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5a]C[5a,6a]C[5a])(C[5]C[5,5]HN)(H){1|O<1>,2|C<4>,2|H<1>,2|N<3>,4|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[5a]H)(NOO)(H){2|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5]C[5]H)(C[5a]N[5a]H){2|C<4>,2|H<1>,2|N<3>,4|C<3>}	116.4650	1.011	2	116.4650	1.022	2	116.4650	1.022	2	116.4650	1.022	2	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	4:3:4:1:	4:4:3:1:	4:3:2:	C[5,5]-4:C[5a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5](C[5,5]N[5,5]C[5]H)(C[5a]C[5a]S[5a])(C[5]C[5,5]CH)(H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[5a]H)(CCO)(H)	C[5a](C[5]C[5,5]C[5]H)(C[5a]N[5a]C)(S[5a]C[5a])	C[5](C[5,5]N[5,5]C[5]H)(C[5a]C[5a]S[5a])(C[5]C[5,5]CH)(H){1|N<2>,2|H<1>,3|C<3>,3|C<4>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[5a]H)(CCO)(H){1|H<1>,1|N<3>,1|O<1>,1|S<2>,2|C<4>,3|C<3>}	C[5a](C[5]C[5,5]C[5]H)(C[5a]N[5a]C)(S[5a]C[5a]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	115.3060	0.000	1	115.3060	0.000	1	115.5535	0.123	2	115.2390	0.516	4	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	4:3:4:1:	4:4:3:1:	4:3:2:	C[5,5]-4:C[5a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5](C[5,5]N[5,5]C[5]H)(C[5a]C[5a]S[5a])(C[5]C[5,5]CH)(H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[5a]H)(CC[6a]O)(H)	C[5a](C[5]C[5,5]C[5]H)(C[5a]N[5a]C)(S[5a]C[5a])	C[5](C[5,5]N[5,5]C[5]H)(C[5a]C[5a]S[5a])(C[5]C[5,5]CH)(H){1|N<2>,2|H<1>,3|C<3>,3|C<4>}	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[5a]H)(CC[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,1|S<2>,2|C<4>,3|C<3>}	C[5a](C[5]C[5,5]C[5]H)(C[5a]N[5a]C)(S[5a]C[5a]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	115.8010	0.000	1	115.8010	0.000	1	115.5535	0.123	2	115.2390	0.516	4	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	4:3:4:1:	4:4:3:1:	4:3:2:	C[5,5]-4:C[5a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:C[5a]-3:N[5a]-2:	C[5](C[5,5]C[5]2N[5])(C[5a]C[5a]N[5a])(C[5]C[5]CH)(H)	C[5](C[5]C[5,5]C[5a]H)(C[5]C[5]CH)(CNO)(H)	C[5a](C[5]C[5,5]C[5]H)(C[5a]N[5a]H)(N[5a]C[5a])	C[5](C[5,5]C[5]2N[5])(C[5a]C[5a]N[5a])(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|C<3>,2|N<3>,4|H<1>}	C[5](C[5]C[5,5]C[5a]H)(C[5]C[5]CH)(CNO)(H){2|C<3>,2|H<1>,2|N<2>}	C[5a](C[5]C[5,5]C[5]H)(C[5a]N[5a]H)(N[5a]C[5a]){1|N<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	114.9245	1.015	2	114.9245	1.030	2	114.9245	1.030	2	115.2390	0.516	4	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	4:4:3:1:	4:4:1:1:	4:3:3:	C[5,6]-4:C[5]-4:C[5a]-3:H-1:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]HH)(C[5a]C[5a]2)(H)	C[5](C[3,5]C[3,5,6]O[3]H)(C[5]C[5,6]C[5a]H)(H)2	C[5a](C[5]C[5,6]C[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]HH)(C[5a]C[5a]2)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[5](C[3,5]C[3,5,6]O[3]H)(C[5]C[5,6]C[5a]H)(H)2{2|C<3>,3|C<4>}	C[5a](C[5]C[5,6]C[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H){3|H<1>,4|C<4>}	114.6603	0.301	3	114.6603	0.091	3	114.6603	0.091	3	114.6603	0.091	3	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	4:4:3:1:	4:4:2:1:	4:3:3:	C[5,6]-4:C[5]-4:C[5a]-3:H-1:	C[3,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]HO)(C[5a]C[5a]2)(H)	C[5](C[3,5]C[3,5,6]O[3]H)(C[5]C[5,6]C[5a]H)(OH)(H)	C[5a](C[5]C[5,6]C[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]HO)(C[5a]C[5a]2)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[5](C[3,5]C[3,5,6]O[3]H)(C[5]C[5,6]C[5a]H)(OH)(H){2|C<3>,3|C<4>}	C[5a](C[5]C[5,6]C[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|O<2>,2|H<1>,4|C<4>}	114.3050	0.000	1	114.3050	0.000	1	114.3050	0.000	1	114.3050	0.000	1	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	0:SP3_SP2_SP3	C[5]	C[5]	C[5a]	4:4:3:1:	4:4:3:1:	4:3:2:	C[5,5]-4:C[5]-4:C[5a]-3:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[5a]-3:O[5a]-2:	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[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[5a](C[5]C[5,5]C[5]H)(C[5a]C[5a]N)(O[5a]N[5a])	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[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[5a](C[5]C[5,5]C[5]H)(C[5a]C[5a]N)(O[5a]N[5a]){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	114.8420	0.000	1	114.8420	0.000	1	114.8420	0.000	1	114.8420	0.000	1	114.3625	4.923	284	114.9550	8.752	2830
474	474	727	5:SP3_SP2_SP3	C[3x5,6,6]	C[4x5]	C[5,6,6a]	4:3:4:4:	4:4:2:2:	4:3:3:	C[3,5,5,6,6]-4:C[5,6,6a]-3:C[4x5]-4:C[6]-4:	C[3x5,6,6]-4:C[3x5,6]-4:O[5,5]-2:O-2:	C[3x5,6,6]-4:C[5,6,6a]-3:C[6a]-3:	C[3x5,6,6](C[3,5,5,6,6]C[3,5,5,6]C[3,5,5]C[6])(C[5,6,6a]C[5,6,6a]C[6a])(C[4x5]C[3x5,6]O[5,5]O)(C[6]C[6,6a]HH)	C[4x5](C[3x5,6,6]C[3,5,5,6,6]C[5,6,6a]C[6])(C[3x5,6]C[3,5,5,6]C[5,6,6a]H)(O[5,5]C[3,5,5])(OH)	C[5,6,6a](C[3x5,6,6]C[3,5,5,6,6]C[4x5]C[6])(C[5,6,6a]C[3x5,6]C[6a])(C[6a]C[6a]H)	C[3x5,6,6](C[3,5,5,6,6]C[3,5,5,6]C[3,5,5]C[6])(C[5,6,6a]C[5,6,6a]C[6a])(C[4x5]C[3x5,6]O[5,5]O)(C[6]C[6,6a]HH){1|Sn<4>,4|C<3>,5|H<1>}	C[4x5](C[3x5,6,6]C[3,5,5,6,6]C[5,6,6a]C[6])(C[3x5,6]C[3,5,5,6]C[5,6,6a]H)(O[5,5]C[3,5,5])(OH){1|Sn<4>,1|C<4>,3|C<3>,3|H<1>}	C[5,6,6a](C[3x5,6,6]C[3,5,5,6,6]C[4x5]C[6])(C[5,6,6a]C[3x5,6]C[6a])(C[6a]C[6a]H){2|C<3>,2|O<2>,3|C<4>,5|H<1>}	101.3520	0.000	1	101.3520	0.000	1	101.2273	0.024	3	101.2273	0.024	3	101.2273	0.024	3	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[3x5,6,6]	C[4x5]	C[5,6,6a]	4:3:4:4:	4:4:2:2:	4:3:3:	C[3,5,5,6,6]-4:C[5,6,6a]-3:C[4x5]-4:C[6]-4:	C[3x5,6,6]-4:C[3x5,6]-4:O[5,5]-2:O-2:	C[3x5,6,6]-4:C[5,6,6a]-3:C[6a]-3:	C[3x5,6,6](C[3,5,5,6,6]C[3,5,5,6]C[3,5,5]C[6])(C[5,6,6a]C[5,6,6a]C[6a])(C[4x5]C[3x5,6]O[5,5]O)(C[6]C[6]HH)	C[4x5](C[3x5,6,6]C[3,5,5,6,6]C[5,6,6a]C[6])(C[3x5,6]C[3,5,5,6]C[5,6,6a]H)(O[5,5]C[3,5,5])(OH)	C[5,6,6a](C[3x5,6,6]C[3,5,5,6,6]C[4x5]C[6])(C[5,6,6a]C[3x5,6]C[6a])(C[6a]C[6a]H)	C[3x5,6,6](C[3,5,5,6,6]C[3,5,5,6]C[3,5,5]C[6])(C[5,6,6a]C[5,6,6a]C[6a])(C[4x5]C[3x5,6]O[5,5]O)(C[6]C[6]HH){1|Sn<4>,1|C<4>,2|C<3>,7|H<1>}	C[4x5](C[3x5,6,6]C[3,5,5,6,6]C[5,6,6a]C[6])(C[3x5,6]C[3,5,5,6]C[5,6,6a]H)(O[5,5]C[3,5,5])(OH){1|Sn<4>,2|C<3>,2|C<4>,3|H<1>}	C[5,6,6a](C[3x5,6,6]C[3,5,5,6,6]C[4x5]C[6])(C[5,6,6a]C[3x5,6]C[6a])(C[6a]C[6a]H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	101.0540	0.000	1	101.1650	0.025	2	101.2273	0.024	3	101.2273	0.024	3	101.2273	0.024	3	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[3x5,6,6]	C[4x5]	C[5,6,6a]	4:3:4:4:	4:4:2:2:	4:3:3:	C[3,5,5,6,6]-4:C[5,6,6a]-3:C[4x5]-4:C[6]-4:	C[3x5,6,6]-4:C[3x5,6]-4:O[5,5]-2:O-2:	C[3x5,6,6]-4:C[5,6,6a]-3:C[6a]-3:	C[3x5,6,6](C[3,5,5,6,6]C[3,5,5,6]C[3,5,5]C[6])(C[5,6,6a]C[5,6,6a]C[6a])(C[4x5]C[3x5,6]O[5,5]O)(C[6]C[6]HH)	C[4x5](C[3x5,6,6]C[3,5,5,6,6]C[5,6,6a]C[6])(C[3x5,6]C[3,5,5,6]C[5,6,6a]H)(O[5,5]C[3,5,5])(OH)	C[5,6,6a](C[3x5,6,6]C[3,5,5,6,6]C[4x5]C[6])(C[5,6,6a]C[3x5,6]C[6a])(C[6a]C[6a]H)	C[3x5,6,6](C[3,5,5,6,6]C[3,5,5,6]C[3,5,5]C[6])(C[5,6,6a]C[5,6,6a]C[6a])(C[4x5]C[3x5,6]O[5,5]O)(C[6]C[6]HH){1|Sn<4>,3|C<3>,6|H<1>}	C[4x5](C[3x5,6,6]C[3,5,5,6,6]C[5,6,6a]C[6])(C[3x5,6]C[3,5,5,6]C[5,6,6a]H)(O[5,5]C[3,5,5])(OH){1|Sn<4>,1|C<4>,3|C<3>,3|H<1>}	C[5,6,6a](C[3x5,6,6]C[3,5,5,6,6]C[4x5]C[6])(C[5,6,6a]C[3x5,6]C[6a])(C[6a]C[6a]H){2|C<3>,2|O<2>,3|C<4>,5|H<1>}	101.2760	0.000	1	101.1650	0.025	2	101.2273	0.024	3	101.2273	0.024	3	101.2273	0.024	3	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[3x5,6,6]	C[5,5,3x6]	C[5,6a]	4:4:3:4:	4:4:4:3:	4:3:3:	C[5,5,3x6]-4:C[5,3x6]-4:C[5,6a]-3:C[5,5]-4:	C[3x5,6,6]-4:C[5,6,6]-4:C[6,6]-4:N[5]-3:	C[3x5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[3x5,6,6](C[5,5,3x6]C[5,6,6]C[6,6]N[5])(C[5,3x6]C[4x6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)	C[5,5,3x6](C[3x5,6,6]C[5,3x6]C[5,6a]C[5,5])(C[5,6,6]C[6,6]C[5]O)(C[6,6]C[6,6]HH)(N[5]C[5,6a]C)	C[5,6a](C[3x5,6,6]C[5,5,3x6]C[5,3x6]C[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3x5,6,6](C[5,5,3x6]C[5,6,6]C[6,6]N[5])(C[5,3x6]C[4x6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H){1|O<1>,1|O<2>,3|C<3>,4|C<4>,5|H<1>}	C[5,5,3x6](C[3x5,6,6]C[5,3x6]C[5,6a]C[5,5])(C[5,6,6]C[6,6]C[5]O)(C[6,6]C[6,6]HH)(N[5]C[5,6a]C){1|N<3>,1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[5,6a](C[3x5,6,6]C[5,5,3x6]C[5,3x6]C[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|C<4>,4|H<1>}	103.5330	0.000	1	103.5330	0.000	1	103.5330	0.000	1	103.5330	0.000	1	103.5330	0.000	1	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[3x5,6]	C[3x5]	C[5,5a,6]	3:4:4:4:	4:4:4:1:	4:3:3:	C[5,5a,6]-3:C[3x5]-4:C[5,6]-4:C[5]-4:	C[5,5,6]-4:C[3x5,6]-4:C[5]-4:H-1:	C[3x5,6]-4:C[5,5a,6]-3:C[5a]-3:	C[3x5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[3x5]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)	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[5,5a,6](C[3x5,6]C[3x5]C[5,6]C[5])(C[5,5a,6]C[5,5,6]C[5a])(C[5a]N[5a]H)	C[3x5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[3x5]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH){1|N<3>,3|C<3>,6|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[5,5a,6](C[3x5,6]C[3x5]C[5,6]C[5])(C[5,5a,6]C[5,5,6]C[5a])(C[5a]N[5a]H){1|C<3>,1|S<4>,3|C<4>,6|H<1>}	99.0169	0.421	2	99.0169	0.177	2	99.0169	0.177	2	99.0169	0.177	2	99.0169	0.177	2	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[3x5,6]	C[4x5]	C[5,6,6a]	4:4:3:1:	4:4:2:2:	4:3:3:	C[3,5,5,6]-4:C[4x5]-4:C[5,6,6a]-3:H-1:	C[3x5,6,6]-4:C[3x5,6]-4:O[5,5]-2:O-2:	C[3x5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[3x5,6](C[3,5,5,6]C[3,5,5,6,6]C[3,5,5]H)(C[4x5]C[3x5,6,6]O[5,5]O)(C[5,6,6a]C[5,6,6a]C[6a])(H)	C[4x5](C[3x5,6,6]C[3,5,5,6,6]C[5,6,6a]C[6])(C[3x5,6]C[3,5,5,6]C[5,6,6a]H)(O[5,5]C[3,5,5])(OH)	C[5,6,6a](C[3x5,6]C[3,5,5,6]C[4x5]H)(C[5,6,6a]C[3x5,6,6]C[6a])(C[6a]C[6a]H)	C[3x5,6](C[3,5,5,6]C[3,5,5,6,6]C[3,5,5]H)(C[4x5]C[3x5,6,6]O[5,5]O)(C[5,6,6a]C[5,6,6a]C[6a])(H){1|Sn<4>,1|H<1>,2|C<3>,2|C<4>}	C[4x5](C[3x5,6,6]C[3,5,5,6,6]C[5,6,6a]C[6])(C[3x5,6]C[3,5,5,6]C[5,6,6a]H)(O[5,5]C[3,5,5])(OH){1|Sn<4>,1|C<4>,3|C<3>,3|H<1>}	C[5,6,6a](C[3x5,6]C[3,5,5,6]C[4x5]H)(C[5,6,6a]C[3x5,6,6]C[6a])(C[6a]C[6a]H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	101.0755	0.183	2	101.0347	0.022	3	101.0347	0.022	3	101.0347	0.022	3	101.0347	0.022	3	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[3x5,6]	C[4x5]	C[5,6,6a]	4:4:3:1:	4:4:2:2:	4:3:3:	C[3,5,5,6]-4:C[4x5]-4:C[5,6,6a]-3:H-1:	C[3x5,6,6]-4:C[3x5,6]-4:O[5,5]-2:O-2:	C[3x5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[3x5,6](C[3,5,5,6]C[3,5,5,6,6]C[3,5,5]H)(C[4x5]C[3x5,6,6]O[5,5]O)(C[5,6,6a]C[5,6,6a]C[6a])(H)	C[4x5](C[3x5,6,6]C[3,5,5,6,6]C[5,6,6a]C[6])(C[3x5,6]C[3,5,5,6]C[5,6,6a]H)(O[5,5]C[3,5,5])(OH)	C[5,6,6a](C[3x5,6]C[3,5,5,6]C[4x5]H)(C[5,6,6a]C[3x5,6,6]C[6a])(C[6a]C[6a]H)	C[3x5,6](C[3,5,5,6]C[3,5,5,6,6]C[3,5,5]H)(C[4x5]C[3x5,6,6]O[5,5]O)(C[5,6,6a]C[5,6,6a]C[6a])(H){1|Sn<4>,1|H<1>,2|C<3>,2|C<4>}	C[4x5](C[3x5,6,6]C[3,5,5,6,6]C[5,6,6a]C[6])(C[3x5,6]C[3,5,5,6]C[5,6,6a]H)(O[5,5]C[3,5,5])(OH){1|Sn<4>,2|C<3>,2|C<4>,3|H<1>}	C[5,6,6a](C[3x5,6]C[3,5,5,6]C[4x5]H)(C[5,6,6a]C[3x5,6,6]C[6a])(C[6a]C[6a]H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	100.9530	0.000	1	101.0347	0.022	3	101.0347	0.022	3	101.0347	0.022	3	101.0347	0.022	3	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[3x5,6]	C[5,5,6]	C[5,6a]	4:4:3:4:	4:4:3:1:	4:3:3:	C[3x5,6,6]-4:C[5,5,6]-4:C[5,6a]-3:C[5]-4:	C[3x5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[3x5,6]-4:C[5,6a]-3:C[6a]-3:	C[3x5,6](C[3x5,6,6]C[5,6,6]N[5,6]O[5,5])(C[5,5,6]C[5,5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5,5,6](C[3x5,6]C[3x5,6,6]C[5,6a]C[5])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H)	C[5,6a](C[3x5,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3x5,6](C[3x5,6,6]C[5,6,6]N[5,6]O[5,5])(C[5,5,6]C[5,5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	C[5,5,6](C[3x5,6]C[3x5,6,6]C[5,6a]C[5])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5,6a](C[3x5,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	102.8850	0.000	1	102.8065	0.113	12	102.8065	0.113	12	102.8065	0.113	12	102.8065	0.113	12	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[3x5,6]	C[5,5,6]	C[5,6a]	4:4:3:4:	4:4:3:1:	4:3:3:	C[3x5,6,6]-4:C[5,5,6]-4:C[5,6a]-3:C[5]-4:	C[3x5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[3x5,6]-4:C[5,6a]-3:C[6a]-3:	C[3x5,6](C[3x5,6,6]C[5,6,6]N[5,6]O[5,5])(C[5,5,6]C[5,5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5,5,6](C[3x5,6]C[3x5,6,6]C[5,6a]C[5])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H)	C[5,6a](C[3x5,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3x5,6](C[3x5,6,6]C[5,6,6]N[5,6]O[5,5])(C[5,5,6]C[5,5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){3|H<1>,4|C<3>,4|C<4>}	C[5,5,6](C[3x5,6]C[3x5,6,6]C[5,6a]C[5])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[3x5,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,4|C<4>,5|H<1>}	102.9110	0.415	4	102.8065	0.113	12	102.8065	0.113	12	102.8065	0.113	12	102.8065	0.113	12	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[3x5,6]	C[5,5,6]	C[5,6a]	4:4:3:4:	4:4:3:1:	4:3:3:	C[3x5,6,6]-4:C[5,5,6]-4:C[5,6a]-3:C[5]-4:	C[3x5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[3x5,6]-4:C[5,6a]-3:C[6a]-3:	C[3x5,6](C[3x5,6,6]C[5,6,6]N[5,6]O[5,5])(C[5,5,6]C[5,5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5,5,6](C[3x5,6]C[3x5,6,6]C[5,6a]C[5])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H)	C[5,6a](C[3x5,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3x5,6](C[3x5,6,6]C[5,6,6]N[5,6]O[5,5])(C[5,5,6]C[5,5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){3|H<1>,4|C<3>,4|C<4>}	C[5,5,6](C[3x5,6]C[3x5,6,6]C[5,6a]C[5])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[3x5,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,4|C<4>,5|H<1>}	102.7820	0.232	4	102.8065	0.113	12	102.8065	0.113	12	102.8065	0.113	12	102.8065	0.113	12	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[3x5,6]	C[5,5,6]	C[5,6a]	4:4:3:4:	4:4:3:1:	4:3:3:	C[3x5,6,6]-4:C[5,5,6]-4:C[5,6a]-3:C[5]-4:	C[3x5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[3x5,6]-4:C[5,6a]-3:C[6a]-3:	C[3x5,6](C[3x5,6,6]C[5,6,6]N[5,6]O[5,5])(C[5,5,6]C[5,5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5,5,6](C[3x5,6]C[3x5,6,6]C[5,6a]C[5])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H)	C[5,6a](C[3x5,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3x5,6](C[3x5,6,6]C[5,6,6]N[5,6]O[5,5])(C[5,5,6]C[5,5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){3|H<1>,4|C<3>,4|C<4>}	C[5,5,6](C[3x5,6]C[3x5,6,6]C[5,6a]C[5])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[3x5,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|Br<1>,1|C<3>,1|N<3>,1|O<2>,3|H<1>,4|C<4>}	102.1530	0.000	1	102.8065	0.113	12	102.8065	0.113	12	102.8065	0.113	12	102.8065	0.113	12	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[3x5,6]	C[5,5,6]	C[5,6a]	4:4:3:4:	4:4:3:1:	4:3:3:	C[3x5,6,6]-4:C[5,5,6]-4:C[5,6a]-3:C[5]-4:	C[3x5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[3x5,6]-4:C[5,6a]-3:C[6a]-3:	C[3x5,6](C[3x5,6,6]C[5,6,6]N[5,6]O[5,5])(C[5,5,6]C[5,5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5,5,6](C[3x5,6]C[3x5,6,6]C[5,6a]C[5])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H)	C[5,6a](C[3x5,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3x5,6](C[3x5,6,6]C[5,6,6]N[5,6]O[5,5])(C[5,5,6]C[5,5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){3|H<1>,4|C<3>,4|C<4>}	C[5,5,6](C[3x5,6]C[3x5,6,6]C[5,6a]C[5])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[3x5,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,4|C<4>,5|H<1>}	102.9340	0.239	2	102.8065	0.113	12	102.8065	0.113	12	102.8065	0.113	12	102.8065	0.113	12	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[3x5,6]	C[5,5]	C[5,6,6a]	3:3:3:4:	4:4:4:1:	4:3:3:	C[5,6,6a]-3:C[5,6a]-3:N[5,5,6]-3:C[5,5]-4:	C[3x5,6]-4:C[5,5,6]-4:C-4:H-1:	C[3x5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[3x5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(N[5,5,6]C[5,6]S[5])(C[5,5]C[5,5,6]CH)	C[5,5](C[3x5,6]C[5,6,6a]N[5,5,6]C[5,6a])(C[5,5,6]C[5,6,6a]C[5,6]C)(CH3)(H)	C[5,6,6a](C[3x5,6]N[5,5,6]C[5,6a]C[5,5])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[3x5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(N[5,5,6]C[5,6]S[5])(C[5,5]C[5,5,6]CH){2|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[5,5](C[3x5,6]C[5,6,6a]N[5,5,6]C[5,6a])(C[5,5,6]C[5,6,6a]C[5,6]C)(CH3)(H){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	C[5,6,6a](C[3x5,6]N[5,5,6]C[5,6a]C[5,5])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|S<4>,3|C<3>,3|C<4>,3|H<1>}	101.3500	0.000	1	101.3500	0.000	1	101.3500	0.000	1	101.3500	0.000	1	101.3500	0.000	1	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[3x5]	C[3x5]	C[5,6a]	3:3:3:4:	3:3:3:4:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[3x5]-4:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[3x5]-4:	C[5,6a,6a]-3:C[3x5]-4:C[6a]-3:	C[3x5](C[5,6a]C[5,6a,6a]C[6a])3(C[3x5]C[5,6a]3)	C[3x5](C[5,6a]C[5,6a,6a]C[6a])3(C[3x5]C[5,6a]3)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[3x5]C[5,6a]2C[3x5])(C[6a]C[6a]H)	C[3x5](C[5,6a]C[5,6a,6a]C[6a])3(C[3x5]C[5,6a]3){3|H<1>,9|C<3>}	C[3x5](C[5,6a]C[5,6a,6a]C[6a])3(C[3x5]C[5,6a]3){3|H<1>,9|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[3x5]C[5,6a]2C[3x5])(C[6a]C[6a]H){1|H<1>,9|C<3>}	103.5430	0.547	6	103.5430	0.299	6	103.5430	0.299	6	103.5430	0.299	6	102.9734	2.881	18	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[3x5]	C[3x5]	C[5,6a]	3:4:3:2:	4:3:3:3:	4:3:3:	C[5,6a]-3:C[3x5]-4:N[5]-3:O[5]-2:	C[3x5]-4:C[5]-3:C[5]-3:C[5]-3:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[3x5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5]3)(N[5]C[5]C)(O[5]C[5])	C[3x5](C[3x5]C[5,6a]N[5]O[5])(C[5]C[5,6a]O)(C[5]C[5]C)2	C[5,6a](C[3x5]C[3x5]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[3x5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5]3)(N[5]C[5]C)(O[5]C[5]){1|C<2>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[3x5](C[3x5]C[5,6a]N[5]O[5])(C[5]C[5,6a]O)(C[5]C[5]C)2{1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[3x5]C[3x5]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	106.3130	0.000	1	106.3170	0.000	2	106.3170	0.000	2	106.3170	0.000	2	102.9734	2.881	18	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[3x5]	C[3x5]	C[5,6a]	3:4:3:2:	4:3:3:3:	4:3:3:	C[5,6a]-3:C[3x5]-4:N[5]-3:O[5]-2:	C[3x5]-4:C[5]-3:C[5]-3:C[5]-3:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[3x5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5]3)(N[5]C[5]C)(O[5]C[5])	C[3x5](C[3x5]C[5,6a]N[5]O[5])(C[5]C[5,6a]O)(C[5]C[5]C)2	C[5,6a](C[3x5]C[3x5]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[3x5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5]3)(N[5]C[5]C)(O[5]C[5]){1|C<2>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[3x5](C[3x5]C[5,6a]N[5]O[5])(C[5]C[5,6a]O)(C[5]C[5]C)2{1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[3x5]C[3x5]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	106.3210	0.000	1	106.3170	0.000	2	106.3170	0.000	2	106.3170	0.000	2	102.9734	2.881	18	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[3x5]	C[3x5]	C[5,6a]	3:4:4:2:	4:2:4:2:	3:4:3:	C[5,6a]-3:C[3x5]-4:C[5]-4:O[5]-2:	C[3x5]-4:O[5]-2:C[5]-4:O[5]-2:	C[6a,6a]-3:C[3x5]-4:C[5,6a]-3:	C[3x5](C[5,6a]C[6a,6a]C[5,6a])(C[3x5]C[5]O[5]2)(C[5]C[5]HH)(O[5]C[5,5])	C[3x5](C[3x5]C[5,6a]C[5]O[5])(O[5]C[5,6a])(C[5]C[5]HH)(O[5]C[5,5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[3x5]C[3x5]C[5]O[5])(C[5,6a]C[6a,6a]O[5])	C[3x5](C[5,6a]C[6a,6a]C[5,6a])(C[3x5]C[5]O[5]2)(C[5]C[5]HH)(O[5]C[5,5]){2|C<4>,3|C<3>,4|H<1>}	C[3x5](C[3x5]C[5,6a]C[5]O[5])(O[5]C[5,6a])(C[5]C[5]HH)(O[5]C[5,5]){2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[3x5]C[3x5]C[5]O[5])(C[5,6a]C[6a,6a]O[5]){1|O<2>,3|C<4>,3|H<1>,4|C<3>}	100.9930	0.000	1	100.9930	0.000	1	100.9930	0.000	1	100.9930	0.000	1	102.9734	2.881	18	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[3x5]	C[3x5]	C[5,6a]	3:4:4:3:	4:2:3:2:	4:3:3:	C[5,6a]-3:C[3x5]-4:C[5]-4:C[5]-3:	C[3x5]-4:O[5]-2:N[5]-3:O[5]-2:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[3x5](C[5,6a]C[5,6a]C[6a])(C[3x5]N[5]O[5]2)(C[5]C[5]HH)(C[5]N[5]C)	C[3x5](C[3x5]C[5,6a]C[5]2)(O[5]C[5,6a])(N[5]C[5]H)(O[5]N[5])	C[5,6a](C[3x5]C[3x5]C[5]2)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[3x5](C[5,6a]C[5,6a]C[6a])(C[3x5]N[5]O[5]2)(C[5]C[5]HH)(C[5]N[5]C){1|O<1>,2|C<3>,2|H<1>}	C[3x5](C[3x5]C[5,6a]C[5]2)(O[5]C[5,6a])(N[5]C[5]H)(O[5]N[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[3x5]C[3x5]C[5]2)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|N<3>,3|H<1>}	100.0880	0.000	2	100.0880	0.000	2	100.0880	0.000	2	100.0880	0.000	2	102.9734	2.881	18	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[3x5]	C[3x5]	C[5,6a]	3:4:4:4:	4:3:3:2:	4:3:3:	C[5,6a]-3:C[3x5]-4:C[5,5]-4:C[5]-4:	C[3x5]-4:C[5]-3:N[5]-3:O[5]-2:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[3x5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5]N[5]O[5])(C[5,5]C[5,6a]2C[5])(C[5]C[5]HH)	C[3x5](C[3x5]C[5,6a]C[5,5]C[5])(C[5]C[6a]C[5])(N[5]C[5,6a]C)(O[5]C[5])	C[5,6a](C[3x5]C[3x5]C[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3x5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5]N[5]O[5])(C[5,5]C[5,6a]2C[5])(C[5]C[5]HH){1|C<4>,4|H<1>,7|C<3>}	C[3x5](C[3x5]C[5,6a]C[5,5]C[5])(C[5]C[6a]C[5])(N[5]C[5,6a]C)(O[5]C[5]){5|H<1>,6|C<3>}	C[5,6a](C[3x5]C[3x5]C[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,4|H<1>,5|C<3>}	102.1940	0.000	1	102.1940	0.000	1	102.1940	0.000	1	102.1940	0.000	1	102.9734	2.881	18	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[3x5]	C[3x5]	C[5,6a]	3:4:4:4:	4:3:3:3:	4:3:3:	C[5,6a]-3:C[3x5]-4:C[5]-4:C[5]-4:	C[3x5]-4:C[5]-3:N[5]-3:N[5]-3:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[3x5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5]N[5]2)(C[5]C[5]HH)2	C[3x5](C[3x5]C[5,6a]C[5]2)(C[5]C[6a]C[5])(N[5]C[5,6a]H)(N[5]C[5]S)	C[5,6a](C[3x5]C[3x5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3x5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5]N[5]2)(C[5]C[5]HH)2{1|C<4>,1|S<4>,3|C<3>,4|H<1>}	C[3x5](C[3x5]C[5,6a]C[5]2)(C[5]C[6a]C[5])(N[5]C[5,6a]H)(N[5]C[5]S){1|C<4>,4|C<3>,6|H<1>}	C[5,6a](C[3x5]C[3x5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,7|H<1>}	102.1020	0.000	1	102.1020	0.000	1	102.1020	0.000	1	102.1020	0.000	1	102.9734	2.881	18	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[3x5]	C[3x5]	C[5,6a]	3:4:4:4:	4:4:3:3:	4:3:3:	C[5,6a]-3:C[3x5]-4:C[5]-4:C[5]-4:	C[3x5]-4:C[5,6]-4:N[5]-3:N[5]-3:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[3x5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,6]N[5]2)(C[5]C[5,6]C[5a]H)(C[5]C[5]HH)	C[3x5](C[3x5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(N[5]C[5,6a]H)(N[5]C[5]C)	C[5,6a](C[3x5]C[3x5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3x5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,6]N[5]2)(C[5]C[5,6]C[5a]H)(C[5]C[5]HH){1|C<4>,1|N<3>,5|C<3>,6|H<1>}	C[3x5](C[3x5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(N[5]C[5,6a]H)(N[5]C[5]C){1|C<4>,4|C<3>,7|H<1>}	C[5,6a](C[3x5]C[3x5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,6|H<1>}	102.3255	0.166	2	102.3255	0.028	2	102.6140	0.264	3	102.6140	0.264	3	102.9734	2.881	18	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[3x5]	C[3x5]	C[5,6a]	3:4:4:4:	4:4:3:3:	4:3:3:	C[5,6a]-3:C[3x5]-4:C[5]-4:C[5]-4:	C[3x5]-4:C[5,6]-4:N[5]-3:N[5]-3:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[3x5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,6]N[5]2)(C[5]C[5,6]C[5a]H)(C[5]C[5]HH)	C[3x5](C[3x5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(N[5]C[5,6a]S)(N[5]C[5]C)	C[5,6a](C[3x5]C[3x5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3x5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,6]N[5]2)(C[5]C[5,6]C[5a]H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|S<4>,5|C<3>,5|H<1>}	C[3x5](C[3x5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(N[5]C[5,6a]S)(N[5]C[5]C){1|C<4>,4|C<3>,7|H<1>}	C[5,6a](C[3x5]C[3x5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|S<4>,2|C<3>,3|C<4>,5|H<1>}	103.1910	0.000	1	103.1910	0.000	1	102.6140	0.264	3	102.6140	0.264	3	102.9734	2.881	18	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[3x5]	C[3x5]	C[5,6a]	4:3:4:4:	4:4:3:2:	4:3:3:	C[3x5]-4:C[5,6a]-3:C[5]-4:C[5]-4:	C[3x5]-4:C[5,6]-4:N[5]-3:O[5]-2:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[3x5](C[3x5]C[5,6]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5a]H)(C[5]C[5]HH)	C[3x5](C[3x5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(N[5]C[5,6a]S)(O[5]C[5])	C[5,6a](C[3x5]C[3x5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3x5](C[3x5]C[5,6]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5a]H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,1|S<4>,3|H<1>,4|C<3>}	C[3x5](C[3x5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(N[5]C[5,6a]S)(O[5]C[5]){1|C<4>,1|O<1>,4|C<3>,5|H<1>}	C[5,6a](C[3x5]C[3x5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,1|S<4>,2|C<4>,3|C<3>,5|H<1>}	102.8040	0.000	1	103.1610	0.255	2	103.1610	0.255	2	103.1610	0.255	2	102.9734	2.881	18	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[3x5]	C[3x5]	C[5,6a]	4:3:4:4:	4:4:3:2:	4:3:3:	C[3x5]-4:C[5,6a]-3:C[5]-4:C[5]-4:	C[3x5]-4:C[5,6]-4:N[5]-3:O[5]-2:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[3x5](C[3x5]C[5,6]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5a]H)(C[5]C[5]HH)	C[3x5](C[3x5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(N[5]C[5,6a]S)(O[5]C[5])	C[5,6a](C[3x5]C[3x5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3x5](C[3x5]C[5,6]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5a]H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|S<4>,4|C<3>,5|H<1>}	C[3x5](C[3x5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(N[5]C[5,6a]S)(O[5]C[5]){1|C<4>,4|C<3>,7|H<1>}	C[5,6a](C[3x5]C[3x5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,1|S<4>,2|C<3>,3|C<4>,5|H<1>}	103.5180	0.000	1	103.1610	0.255	2	103.1610	0.255	2	103.1610	0.255	2	102.9734	2.881	18	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[3x5]	C[5,5]	C[5,6a]	3:3:4:4:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-3:C[5,5]-4:C[5]-4:	C[3x5]-4:N[5]-3:N[5]-3:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5])(C[5,5]N[5]2H)(C[5]C[5]HH)	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(N[5]C[5]C)(H)	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5])(C[5,5]N[5]2H)(C[5]C[5]HH){2|C<3>,2|C<4>,5|H<1>}	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(N[5]C[5]C)(H){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|C<4>,6|H<1>}	101.1860	0.000	1	101.1860	0.000	1	101.1860	0.000	1	101.1860	0.000	1	102.7509	0.712	25	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[3x5]	C[5,5]	C[5,6a]	3:3:4:4:	4:4:4:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,5]-4:C[5,5]-4:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[3x5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]2H)2	C[5,5](C[3x5]C[5,6a]2C[5,5])(C[5]C[5,6a]HH)(C[5]C[5]HH)(H)	C[5,6a](C[3x5]C[5,6a]C[5,5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[3x5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]2H)2{2|O<2>,4|C<3>,8|H<1>}	C[5,5](C[3x5]C[5,6a]2C[5,5])(C[5]C[5,6a]HH)(C[5]C[5]HH)(H){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[3x5]C[5,6a]C[5,5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){3|C<3>,3|C<4>,6|H<1>}	102.1020	0.513	2	102.1020	0.264	2	102.1020	0.264	2	102.1020	0.264	2	102.7509	0.712	25	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[3x5]	C[5,5]	C[5,6a]	3:4:3:4:	4:3:2:2:	3:4:3:	C[5,6a]-3:C[5,5]-4:N[5,5]-3:C[5,5]-4:	C[3x5]-4:C[5,6a]-3:O[5]-2:O-2:	C[5,6a,6a]-3:C[3x5]-4:C[6a]-3:	C[3x5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]O[5]O)(N[5,5]C[5,5]C[5])(C[5,5]C[5]2C)	C[5,5](C[3x5]C[5,6a]C[5,5]N[5,5])(C[5,6a]C[5,6a,6a]C[6a])(O[5]C[5])(OH)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[3x5]C[5,5]2N[5,5])(C[6a]C[6a]H)	C[3x5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]O[5]O)(N[5,5]C[5,5]C[5])(C[5,5]C[5]2C){3|C<3>,3|C<4>,7|H<1>}	C[5,5](C[3x5]C[5,6a]C[5,5]N[5,5])(C[5,6a]C[5,6a,6a]C[6a])(O[5]C[5])(OH){2|H<1>,4|C<3>,4|C<4>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[3x5]C[5,5]2N[5,5])(C[6a]C[6a]H){1|H<1>,2|O<2>,4|C<3>,4|C<4>}	103.4420	0.000	1	103.4420	0.000	1	103.4420	0.000	1	103.4420	0.000	1	102.7509	0.712	25	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[3x5]	C[5,5]	C[5,6a]	3:4:3:4:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5,5]-3:C[5]-4:	C[3x5]-4:N[5,5]-3:N[5]-3:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(C[5,5]C[5,5]N[5])(C[5]C[5]HH)	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[5,5]C[5,6a]C[5,5])(N[5]C[5,6a]H)(H)	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(C[5,5]C[5,5]N[5])(C[5]C[5]HH){1|C<4>,4|C<3>,4|H<1>}	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[5,5]C[5,6a]C[5,5])(N[5]C[5,6a]H)(H){1|N<2>,2|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|C<4>,6|H<1>}	102.8970	0.000	1	102.6787	0.177	3	102.6787	0.177	3	102.6787	0.177	3	102.7509	0.712	25	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[3x5]	C[5,5]	C[5,6a]	3:4:3:4:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5,5]-3:C[5]-4:	C[3x5]-4:N[5,5]-3:N[5]-3:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(C[5,5]C[5,5]N[5])(C[5]C[5]HH)	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[5,5]C[5,6a]C[5,5])(N[5]C[5,6a]H)(H)	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(C[5,5]C[5,5]N[5])(C[5]C[5]HH){4|H<1>,5|C<3>}	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[5,5]C[5,6a]C[5,5])(N[5]C[5,6a]H)(H){1|C<4>,1|N<2>,2|H<1>,6|C<3>}	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|C<4>,6|H<1>}	102.5695	0.531	2	102.6787	0.177	3	102.6787	0.177	3	102.6787	0.177	3	102.7509	0.712	25	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[3x5]	C[5,5]	C[5,6a]	3:4:4:4:	4:2:4:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5,5]-4:C[5]-4:	C[3x5]-4:O[5]-2:C[5]-4:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5,5]C[5]2H)(C[5]N[5]HH)	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(O[5]C[5,6a])(C[5]C[5]HH)(H)	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5,5]C[5]2H)(C[5]N[5]HH){1|S<4>,2|C<3>,3|C<4>,4|H<1>}	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(O[5]C[5,6a])(C[5]C[5]HH)(H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,6|H<1>}	101.4850	0.345	2	101.4850	0.119	2	101.4113	0.076	3	101.4113	0.076	3	102.7509	0.712	25	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[3x5]	C[5,5]	C[5,6a]	3:4:4:4:	4:2:4:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5,5]-4:C[5]-4:	C[3x5]-4:O[5]-2:C[5]-4:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH)	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(O[5]C[5,6a])(C[5]C[5]HH)(H)	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5,5]C[5]2H)(C[5]O[5]HH){2|C<3>,3|C<4>,4|H<1>}	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(O[5]C[5,6a])(C[5]C[5]HH)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	101.2640	0.000	1	101.2640	0.000	1	101.4113	0.076	3	101.4113	0.076	3	102.7509	0.712	25	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[3x5]	C[5,5]	C[5,6a]	3:4:4:4:	4:3:2:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5,5]-4:C[5]-4:	C[3x5]-4:N[5]-3:O[5]-2:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-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)	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]S)(O[5]C[5])(H)	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	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[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]S)(O[5]C[5])(H){1|O<2>,3|H<1>,5|C<3>}	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|O<2>,3|C<3>,5|H<1>}	102.5370	0.000	1	102.5370	0.000	1	102.5370	0.000	1	102.5370	0.000	1	102.7509	0.712	25	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[3x5]	C[5,5]	C[5,6a]	3:4:4:4:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5,5]-4:C[5]-4:	C[3x5]-4:C[5,6a]-3:N[5]-3:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5,5]C[5,6a]N[5]H)(C[5]O[5]HH)	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]S)(H)	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5,5]C[5,6a]N[5]H)(C[5]O[5]HH){1|H<1>,1|O<1>,1|S<4>,4|C<3>}	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]S)(H){1|O<2>,4|H<1>,5|C<3>}	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,1|S<4>,4|C<3>,6|H<1>}	102.6190	0.000	1	102.6190	0.000	1	102.6190	0.000	1	102.5540	0.004	3	102.7509	0.712	25	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[3x5]	C[5,5]	C[5,6a]	3:4:4:4:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5,5]-4:C[5]-4:	C[3x5]-4:N[3,5]-3:N[5]-3:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3,5]N[5]H)(C[5,5]N[3,5]N[5]H)(C[5]C[5]HH)	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[3,5]C[3,5]C[3])(N[5]C[5,6a]H)(H)	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3,5]N[5]H)(C[5,5]N[3,5]N[5]H)(C[5]C[5]HH){2|C<3>,2|C<4>,5|H<1>}	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[3,5]C[3,5]C[3])(N[5]C[5,6a]H)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|N<3>,7|H<1>}	102.5510	0.000	1	102.5510	0.000	1	102.5510	0.000	1	102.5540	0.004	3	102.7509	0.712	25	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[3x5]	C[5,5]	C[5,6a]	3:4:4:4:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5,5]-4:C[5]-4:	C[3x5]-4:N[5]-3:C[5]-3:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,5]C[5]O[5]C)(C[5]C[5]HH)	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(C[5]C[5]C)(H)	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,5]C[5]O[5]C)(C[5]C[5]HH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(C[5]C[5]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,4|C<3>,5|H<1>}	102.4920	0.000	1	102.4920	0.000	1	102.4920	0.000	1	102.5540	0.004	3	102.7509	0.712	25	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[3x5]	C[5,5]	C[5,6a]	4:3:4:3:	4:3:3:2:	3:4:3:	C[5,5,6]-4:C[5,6a]-3:C[5,5]-4:N[5]-3:	C[3x5]-4:C[5,6a]-3:N[5,6]-3:O-2:	C[5,6a,6a]-3:C[3x5]-4:C[6a]-3:	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5,6]O)(N[5]C[5]C)	C[5,5](C[3x5]C[5,5,6]C[5,6a]N[5])(C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6]C[6])(OH)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[3x5]C[5,5,6]C[5,5]N[5])(C[6a]C[6a]H)	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5,6]O)(N[5]C[5]C){1|C<4>,1|O<1>,5|C<3>,6|H<1>}	C[5,5](C[3x5]C[5,5,6]C[5,6a]N[5])(C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6]C[6])(OH){3|C<4>,5|C<3>,5|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[3x5]C[5,5,6]C[5,5]N[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,4|C<3>,4|C<4>}	103.7520	0.434	2	103.7520	0.188	2	103.5576	0.109	5	103.5576	0.109	5	102.7509	0.712	25	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[3x5]	C[5,5]	C[5,6a]	4:3:4:3:	4:3:3:2:	3:4:3:	C[5,5,6]-4:C[5,6a]-3:C[5,5]-4:N[5]-3:	C[3x5]-4:C[5,6a]-3:N[5,6]-3:O-2:	C[5,6a,6a]-3:C[3x5]-4:C[6a]-3:	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5,6]O)(N[5]C[5]H)	C[5,5](C[3x5]C[5,5,6]C[5,6a]N[5])(C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6]C[6])(OH)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[3x5]C[5,5,6]C[5,5]N[5])(C[6a]C[6a]H)	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5,6]O)(N[5]C[5]H){1|C<4>,1|O<1>,5|H<1>,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])(N[5,6]C[5,6]C[6])(OH){2|C<4>,5|C<3>,6|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[3x5]C[5,5,6]C[5,5]N[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<4>,4|C<3>}	103.4280	0.246	3	103.4280	0.060	3	103.5576	0.109	5	103.5576	0.109	5	102.7509	0.712	25	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[3x5]	C[5,5]	C[5,6a]	4:3:4:3:	4:3:3:2:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[5,5]-4:N[5,5]-3:	C[3x5]-4:C[5,6a]-3:N[5,6]-3:O-2:	C[3x5]-4:C[5,6a,6a]-3:C[6a]-3:	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5,6]O)(N[5,5]C[5,5]C[5])	C[5,5](C[3x5]C[5,5,6]C[5,6a]N[5,5])(C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6]C[6])(OH)	C[5,6a](C[3x5]C[5,5,6]C[5,5]N[5,5])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5,6]O)(N[5,5]C[5,5]C[5]){1|O<1>,1|S<2>,2|C<4>,5|C<3>,7|H<1>}	C[5,5](C[3x5]C[5,5,6]C[5,6a]N[5,5])(C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6]C[6])(OH){3|C<4>,5|C<3>,5|H<1>}	C[5,6a](C[3x5]C[5,5,6]C[5,5]N[5,5])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,4|C<3>,4|C<4>}	103.6220	0.156	3	103.4292	0.165	4	103.4292	0.165	4	103.4292	0.165	4	102.7509	0.712	25	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[3x5]	C[5,5]	C[5,6a]	4:3:4:3:	4:3:3:2:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[5,5]-4:N[5,5]-3:	C[3x5]-4:C[5,6a]-3:N[5,6]-3:O-2:	C[3x5]-4:C[5,6a,6a]-3:C[6a]-3:	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5,6]O)(N[5,5]C[5,5]C[5])	C[5,5](C[3x5]C[5,5,6]C[5,6a]N[5,5])(C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6]C[6])(OH)	C[5,6a](C[3x5]C[5,5,6]C[5,5]N[5,5])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5,6]O)(N[5,5]C[5,5]C[5]){1|O<1>,3|C<4>,5|C<3>,7|H<1>}	C[5,5](C[3x5]C[5,5,6]C[5,6a]N[5,5])(C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6]C[6])(OH){3|C<4>,5|C<3>,5|H<1>}	C[5,6a](C[3x5]C[5,5,6]C[5,5]N[5,5])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,4|C<3>,4|C<4>}	102.8510	0.000	1	103.4292	0.165	4	103.4292	0.165	4	103.4292	0.165	4	102.7509	0.712	25	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[3x5]	C[5,5]	C[5,6a]	4:3:4:3:	4:3:4:2:	3:4:3:	C[5,5,6]-4:C[5,6a]-3:C[5,5]-4:N[5]-3:	C[3x5]-4:C[5,6a]-3:C[5,6]-4:O-2:	C[5,6a,6a]-3:C[3x5]-4:C[6a]-3:	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5,6]O)(N[5]C[5]C)	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[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[3x5]C[5,5,6]C[5,5]N[5])(C[6a]C[6a]H)	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5,6]O)(N[5]C[5]C){1|O<1>,6|C<3>,7|H<1>}	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[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[3x5]C[5,5,6]C[5,5]N[5])(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>,5|C<4>}	103.6390	0.000	1	103.6390	0.000	1	103.6390	0.000	1	103.6390	0.000	1	102.7509	0.712	25	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[3x5]	C[5,5]	C[5,6a]	4:3:4:4:	4:3:3:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5,5]-4:C[5]-4:	C[3x5]-4:N[5]-3:N[5]-3:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	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[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(N[5]C[5]C[6])(H)	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	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[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(N[5]C[5]C[6])(H){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,2|N<3>,3|C<3>,6|H<1>}	102.3270	0.000	1	102.3270	0.000	1	102.3270	0.000	1	102.3270	0.000	1	102.7509	0.712	25	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[3x5]	C[6x5]	C[5,6a]	3:3:3:4:	4:4:4:4:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[6x5]-4:	C[3x5]-4:C[3x5]-4:C[3x5]-4:C[3x5]-4:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[3x5](C[5,6a]C[5,6a]C[6a])3(C[6x5]C[3x5]3)	C[6x5](C[3x5]C[5,6a]3)4	C[5,6a](C[3x5]C[5,6a]2C[6x5])(C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)	C[3x5](C[5,6a]C[5,6a]C[6a])3(C[6x5]C[3x5]3){12|C<3>,3|H<1>}	C[6x5](C[3x5]C[5,6a]3)4{12|C<3>}	C[5,6a](C[3x5]C[5,6a]2C[6x5])(C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,7|C<3>}	103.5780	0.119	18	103.5780	0.014	18	103.5780	0.014	18	103.5780	0.014	18	103.5780	0.014	18	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,3x6]	C[5,5,6,6]	C[5,6,6a]	4:3:4:1:	4:4:4:1:	4:3:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[4x6]-4:H-1:	C[5,3x6]-4:C[5,3x6]-4:C[5,5]-4:H-1:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[5,6,6a]C[5,6a]C[6,6a])(C[4x6]C[6,6]2C[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)	C[5,6,6a](C[5,3x6]C[5,5,6,6]C[4x6]H)(C[5,6a]C[5,5]C[6a])(C[6,6a]C[6a]C[6])	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[5,6,6a]C[5,6a]C[6,6a])(C[4x6]C[6,6]2C[6])(H){1|O<1>,2|C<3>,2|O<2>,3|C<4>,5|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>}	C[5,6,6a](C[5,3x6]C[5,5,6,6]C[4x6]H)(C[5,6a]C[5,5]C[6a])(C[6,6a]C[6a]C[6]){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	105.0390	0.000	1	105.0390	0.000	1	105.0390	0.000	1	105.0390	0.000	1	105.0390	0.000	1	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,3x6]	C[5,6,6]	C[5,6,6a]	3:4:4:1:	4:4:3:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6]-4:C[4x6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:C[5]-3:H-1:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(H)	C[5,6,6](C[5,3x6]C[5,6,6a]C[4x6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]O)(H)	C[5,6,6a](C[5,3x6]C[5,6,6]C[4x6]H)(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(H){1|O<2>,2|C<3>,2|O<1>,3|C<4>,4|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6a]C[4x6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]O)(H){2|C<4>,2|H<1>,3|C<3>}	C[5,6,6a](C[5,3x6]C[5,6,6]C[4x6]H)(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6]){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	104.5823	0.681	3	104.5823	0.463	3	104.5823	0.463	3	104.5823	0.463	3	104.9128	0.439	5	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,3x6]	C[5,6,6]	C[5,6,6a]	3:4:4:1:	4:4:4:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6]-4:C[4x6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(H)	C[5,6,6](C[5,3x6]C[5,6,6a]C[4x6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]HH)(H)	C[5,6,6a](C[5,3x6]C[5,6,6]C[4x6]H)(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6a]C[4x6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]HH)(H){2|C<4>,2|H<1>,3|C<3>}	C[5,6,6a](C[5,3x6]C[5,6,6]C[4x6]H)(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6]){2|C<3>,4|C<4>,6|H<1>}	105.3430	0.000	1	105.3430	0.000	1	105.3430	0.000	1	105.3430	0.000	1	104.9128	0.439	5	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,3x6]	C[5,6,6]	C[5,6,6a]	3:4:4:2:	4:4:4:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6]-4:C[4x6]-4:O-2:	C[5,3x6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(OH)	C[5,6,6](C[5,3x6]C[5,6,6a]C[4x6]O)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]HH)(H)	C[5,6,6a](C[5,3x6]C[5,6,6]C[4x6]O)(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(OH){1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6a]C[4x6]O)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]HH)(H){2|C<4>,2|H<1>,3|C<3>}	C[5,6,6a](C[5,3x6]C[5,6,6]C[4x6]O)(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6]){2|C<3>,4|C<4>,6|H<1>}	105.4740	0.000	1	105.4740	0.000	1	105.4740	0.000	1	105.4740	0.000	1	104.9128	0.439	5	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,3x6]	C[5,6,6]	C[5,6a]	4:3:4:4:	4:4:2:3:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:C[6,6]-4:C[6,6]-4:	C[5,3x6]-4:C[6,6]-4:O[5]-2:C-3:	C[5,3x6]-4:C[5,6a]-3:C[6a]-3:	C[5,3x6](C[5,6,6]C[6,6]O[5]C)(C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]HH)2	C[5,6,6](C[5,3x6]C[5,6a]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6a])(COO)	C[5,6a](C[5,3x6]C[5,6,6]C[6,6]2)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	C[5,3x6](C[5,6,6]C[6,6]O[5]C)(C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]HH)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5,6,6](C[5,3x6]C[5,6a]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5,6a])(COO){1|C<4>,3|C<3>,5|H<1>}	C[5,6a](C[5,3x6]C[5,6,6]C[6,6]2)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){2|C<4>,3|C<3>,6|H<1>}	99.6282	0.212	2	99.6282	0.045	2	99.6282	0.045	2	99.6282	0.045	2	99.6282	0.045	2	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,3x6]	C[5,6]	C[5,6,6a]	3:3:4:4:	4:2:3:1:	4:3:3:	C[5,6,6a]-3:C[3x6]-3:C[5,6]-4:C[6]-4:	C[5,3x6]-4:O[5]-2:C[6]-3:H-1:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H)	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6])(C[5,6]C[6]O[5]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H){2|C<4>,3|C<3>,3|H<1>}	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	100.4580	0.000	1	100.4580	0.000	1	100.4580	0.000	1	100.4580	0.000	1	99.4672	1.764	34	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,3x6]	C[5,6]	C[5,6,6a]	3:4:4:4:	4:2:3:1:	4:3:3:	C[5,6,6a]-3:C[3x6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:O[5]-2:C[6]-3:H-1:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H)	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|O<2>,2|C<4>,3|C<3>,7|H<1>}	97.9934	0.000	1	97.7749	0.112	4	97.8330	0.342	10	97.8330	0.342	10	99.4672	1.764	34	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,3x6]	C[5,6]	C[5,6,6a]	3:4:4:4:	4:2:3:1:	4:3:3:	C[5,6,6a]-3:C[3x6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:O[5]-2:C[6]-3:H-1:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H)	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H){2|C<3>,3|C<4>,5|H<1>}	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|Cl<1>,1|N<3>,2|C<3>,3|C<4>,6|H<1>}	97.4407	0.000	1	97.7749	0.112	4	97.8330	0.342	10	97.8330	0.342	10	99.4672	1.764	34	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,3x6]	C[5,6]	C[5,6,6a]	3:4:4:4:	4:2:3:1:	4:3:3:	C[5,6,6a]-3:C[3x6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:O[5]-2:C[6]-3:H-1:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H)	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H){2|C<3>,3|C<4>,5|H<1>}	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	97.8327	0.411	2	97.7749	0.112	4	97.8330	0.342	10	97.8330	0.342	10	99.4672	1.764	34	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,3x6]	C[5,6]	C[5,6,6a]	3:4:4:4:	4:2:3:1:	4:3:3:	C[5,6,6a]-3:C[3x6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:O[5]-2:C[6]-3:H-1:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H)	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){2|C<3>,2|O<2>,3|C<4>,6|H<1>}	97.9280	0.000	1	97.8718	0.544	6	97.8330	0.342	10	97.8330	0.342	10	99.4672	1.764	34	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,3x6]	C[5,6]	C[5,6,6a]	3:4:4:4:	4:2:3:1:	4:3:3:	C[5,6,6a]-3:C[3x6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:O[5]-2:C[6]-3:H-1:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H)	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HH){1|N<4>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){2|C<3>,2|O<2>,3|C<4>,6|H<1>}	97.8605	0.824	5	97.8718	0.544	6	97.8330	0.342	10	97.8330	0.342	10	99.4672	1.764	34	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,3x6]	C[5,6]	C[5,6,6a]	3:4:4:4:	4:2:4:1:	4:3:3:	C[5,6,6a]-3:C[3x6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:O[5]-2:C[6]-4:H-1:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]CH)(H)	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH){1|N<3>,2|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]CH)(H){2|C<3>,3|C<4>,5|H<1>}	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|C<3>,4|C<4>,8|H<1>}	101.1160	0.000	1	101.1160	0.000	1	100.3289	0.564	20	100.3289	0.564	20	99.4672	1.764	34	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,3x6]	C[5,6]	C[5,6,6a]	3:4:4:4:	4:2:4:1:	4:3:3:	C[5,6,6a]-3:C[3x6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:O[5]-2:C[6]-4:H-1:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]HN)(H)	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH){2|C<3>,2|C<4>,2|N<3>,6|H<1>}	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]HN)(H){2|C<3>,3|C<4>,5|H<1>}	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|C<3>,1|N<3>,4|C<4>,7|H<1>}	100.6260	0.000	1	100.6260	0.000	1	100.3289	0.564	20	100.3289	0.564	20	99.4672	1.764	34	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,3x6]	C[5,6]	C[5,6,6a]	3:4:4:4:	4:2:4:1:	4:3:3:	C[5,6,6a]-3:C[3x6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:O[5]-2:C[6]-4:H-1:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]HO)(H)	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,3|C<3>,5|H<1>}	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]HO)(H){2|C<4>,3|C<3>,4|H<1>}	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	99.8478	0.903	9	100.2513	0.615	17	100.3289	0.564	20	100.3289	0.564	20	99.4672	1.764	34	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,3x6]	C[5,6]	C[5,6,6a]	3:4:4:4:	4:2:4:1:	4:3:3:	C[5,6,6a]-3:C[3x6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:O[5]-2:C[6]-4:H-1:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]HO)(H)	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH){1|C<4>,1|N<4>,1|O<2>,3|C<3>,5|H<1>}	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]HO)(H){2|C<4>,3|C<3>,4|H<1>}	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	100.7053	0.170	8	100.2513	0.615	17	100.3289	0.564	20	100.3289	0.564	20	99.4672	1.764	34	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,3x6]	C[5,6]	C[5,6,6a]	3:4:4:4:	4:2:4:1:	4:3:3:	C[5,6,6a]-3:C[3x6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:O[5]-2:C[6]-4:H-1:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]HO)(H)	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]O)(C[5,6]C[6]O[5]H)(C[6]C[6]HH){1|N<4>,1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]HO)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|C<3>,2|O<2>,4|C<4>,6|H<1>}	100.5630	0.000	1	100.5630	0.000	1	100.3289	0.564	20	100.3289	0.564	20	99.4672	1.764	34	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,3x6]	C[5,6]	C[5,6,6a]	3:4:4:4:	4:4:2:1:	4:3:3:	C[5,6,6a]-3:C[3x6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]O)(C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(C[5,6]C[5,5]C[6]O[5])(O[5]C[5,6a])(H)	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]O)(C[5,6]C[5,6]O[5]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(C[5,6]C[5,5]C[6]O[5])(O[5]C[5,6a])(H){1|N<3>,2|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|C<3>,2|O<2>,4|C<4>,6|H<1>}	98.4854	0.000	1	98.8403	0.358	3	98.8403	0.358	3	98.8403	0.358	3	99.4672	1.764	34	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,3x6]	C[5,6]	C[5,6,6a]	3:4:4:4:	4:4:2:1:	4:3:3:	C[5,6,6a]-3:C[3x6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,3x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]O)(C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(C[5,6]C[5,5]C[6]O[5])(O[5]C[5,6a])(H)	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[6,6]C[6]O)(C[5,6]C[5,6]O[5]H)(C[6]C[6]HH){1|N<4>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(C[5,6]C[5,5]C[6]O[5])(O[5]C[5,6a])(H){1|N<3>,2|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[5,6,6a](C[5,3x6]C[3x6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|C<3>,2|O<2>,4|C<4>,6|H<1>}	99.0177	0.726	2	98.8403	0.358	3	98.8403	0.358	3	98.8403	0.358	3	99.4672	1.764	34	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,4x6]	C[5,6,6]	C[5,6,6a]	3:4:4:4:	4:4:2:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6]-4:C[5x6]-4:C[6]-4:	C[5,4x6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,4x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]O[5]H)(C[5x6]C[6,6]3)(C[6]C[6]HH)	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H)	C[5,6,6a](C[5,4x6]C[5,6,6]C[5x6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]O[5]H)(C[5x6]C[6,6]3)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	C[5,6,6a](C[5,4x6]C[5,6,6]C[5x6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	101.4150	0.000	1	101.6236	0.602	10	101.6236	0.602	10	101.6238	0.542	11	101.7032	0.490	13	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,4x6]	C[5,6,6]	C[5,6,6a]	3:4:4:4:	4:4:2:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6]-4:C[5x6]-4:C[6]-4:	C[5,4x6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,4x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]O[5]H)(C[5x6]C[6,6]3)(C[6]C[6]HH)	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H)	C[5,6,6a](C[5,4x6]C[5,6,6]C[5x6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]O[5]H)(C[5x6]C[6,6]3)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H){3|C<3>,4|C<4>,5|H<1>}	C[5,6,6a](C[5,4x6]C[5,6,6]C[5x6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	101.7680	0.000	1	101.6236	0.602	10	101.6236	0.602	10	101.6238	0.542	11	101.7032	0.490	13	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,4x6]	C[5,6,6]	C[5,6,6a]	3:4:4:4:	4:4:2:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6]-4:C[5x6]-4:C[6]-4:	C[5,4x6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,4x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]O[5]H)(C[5x6]C[6,6]3)(C[6]C[6]HH)	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H)	C[5,6,6a](C[5,4x6]C[5,6,6]C[5x6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]O[5]H)(C[5x6]C[6,6]3)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H){1|Cl<1>,1|C<2>,3|C<3>,3|C<4>,3|H<1>}	C[5,6,6a](C[5,4x6]C[5,6,6]C[5x6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|O<2>,2|C<3>,4|C<4>,6|H<1>}	101.4190	0.000	1	101.6236	0.602	10	101.6236	0.602	10	101.6238	0.542	11	101.7032	0.490	13	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,4x6]	C[5,6,6]	C[5,6,6a]	3:4:4:4:	4:4:2:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6]-4:C[5x6]-4:C[6]-4:	C[5,4x6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,4x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]O[5]H)(C[5x6]C[6,6]3)(C[6]C[6]HH)	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H)	C[5,6,6a](C[5,4x6]C[5,6,6]C[5x6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]O[5]H)(C[5x6]C[6,6]3)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H){1|Cl<1>,3|C<3>,3|C<4>,4|H<1>}	C[5,6,6a](C[5,4x6]C[5,6,6]C[5x6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|O<2>,2|C<3>,4|C<4>,6|H<1>}	102.0825	0.177	2	101.6236	0.602	10	101.6236	0.602	10	101.6238	0.542	11	101.7032	0.490	13	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,4x6]	C[5,6,6]	C[5,6,6a]	3:4:4:4:	4:4:2:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6]-4:C[5x6]-4:C[6]-4:	C[5,4x6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,4x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]O[5]H)(C[5x6]C[6,6]3)(C[6]C[6]HH)	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H)	C[5,6,6a](C[5,4x6]C[5,6,6]C[5x6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]O[5]H)(C[5x6]C[6,6]3)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H){3|C<4>,4|C<3>,4|H<1>}	C[5,6,6a](C[5,4x6]C[5,6,6]C[5x6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|O<2>,2|C<3>,4|C<4>,6|H<1>}	101.5805	0.422	2	101.6236	0.602	10	101.6236	0.602	10	101.6238	0.542	11	101.7032	0.490	13	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,4x6]	C[5,6,6]	C[5,6,6a]	3:4:4:4:	4:4:2:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6]-4:C[5x6]-4:C[6]-4:	C[5,4x6]-4:C[3x6]-4:O[5]-2:H-1:	C[5,4x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]O[5]H)(C[5x6]C[6,6]3)(C[6]C[6]HH)	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H)	C[5,6,6a](C[5,4x6]C[5,6,6]C[5x6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]O[5]H)(C[5x6]C[6,6]3)(C[6]C[6]HH){1|N<4>,1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(H){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	C[5,6,6a](C[5,4x6]C[5,6,6]C[5x6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	101.4360	1.511	3	101.6236	0.602	10	101.6236	0.602	10	101.6238	0.542	11	101.7032	0.490	13	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,4x6]	C[5,6,6]	C[5,6,6a]	3:4:4:4:	4:4:2:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6]-4:C[5x6]-4:C[6]-4:	C[5,4x6]-4:C[5,3x6]-4:O[5]-2:H-1:	C[5,4x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[5,3x6]O[5]H)(C[5x6]C[6,6]3)(C[6]C[6]HH)	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[5,3x6]C[5,6,6]C[6,6]O[5])(O[5]C[5,6a])(H)	C[5,6,6a](C[5,4x6]C[5,6,6]C[5x6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[5,3x6]O[5]H)(C[5x6]C[6,6]3)(C[6]C[6]HH){1|N<4>,1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[5,3x6]C[5,6,6]C[6,6]O[5])(O[5]C[5,6a])(H){2|C<3>,5|H<1>,6|C<4>}	C[5,6,6a](C[5,4x6]C[5,6,6]C[5x6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	101.6260	0.000	1	101.6260	0.000	1	101.6260	0.000	1	101.6238	0.542	11	101.7032	0.490	13	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,4x6]	C[5,6,6]	C[5,6,6a]	3:4:4:4:	4:4:2:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6]-4:C[5x6]-4:C[6]-4:	C[5,4x6]-4:C[3x6]-4:O[5]-2:C-4:	C[5,4x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]O[5]C)(C[5x6]C[6,6]3)(C[6]C[6]HH)	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(CCHH)	C[5,6,6a](C[5,4x6]C[5,6,6]C[5x6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[5,4x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]O[5]C)(C[5x6]C[6,6]3)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(CCHH){3|C<4>,4|C<3>,4|H<1>}	C[5,6,6a](C[5,4x6]C[5,6,6]C[5x6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	102.2070	0.000	1	102.2070	0.000	1	102.2070	0.000	1	102.2070	0.000	1	101.7032	0.490	13	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,4x6]	C[5,6,6]	C[5,6,6a]	4:3:4:4:	4:4:2:1:	4:3:3:	C[4,4x6]-4:C[5,6,6a]-3:C[5,6,6]-4:C[6]-4:	C[5,4x6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,4x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,4x6](C[4,4x6]C[4,6]C[6,6]O[4,6])(C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[6,6]O[5]H)(C[6]C[6]HH)	C[5,6,6](C[5,4x6]C[5,6,6a]C[4,4x6]C[6])(C[6,6]C[4,6,6]OO)(O[5]C[5,6a])(H)	C[5,6,6a](C[5,4x6]C[4,4x6]C[5,6,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[5,4x6](C[4,4x6]C[4,6]C[6,6]O[4,6])(C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[6,6]O[5]H)(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[5,6,6](C[5,4x6]C[5,6,6a]C[4,4x6]C[6])(C[6,6]C[4,6,6]OO)(O[5]C[5,6a])(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6,6a](C[5,4x6]C[4,4x6]C[5,6,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|C<3>,2|O<2>,4|C<4>,6|H<1>}	102.0730	0.000	1	102.0730	0.000	1	102.0730	0.000	1	102.0730	0.000	1	101.7032	0.490	13	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,3x6]	C[5,4x6]	C[5,6a]	4:4:3:4:	4:4:4:3:	4:3:3:	C[5,4x6]-4:C[5,3x6]-4:C[5,6a]-3:C[5,6]-4:	C[5,5,3x6]-4:C[3x6]-4:C[6,6]-4:N[5]-3:	C[5,5,3x6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,3x6](C[5,4x6]C[3x6]C[6,6]N[5])(C[5,3x6]C[4x6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)	C[5,4x6](C[5,5,3x6]C[5,3x6]C[5,6a]C[5,6])(C[3x6]C[6,6]O[6]O)(C[6,6]C[6,6]HH)(N[5]C[5,6a]C)	C[5,6a](C[5,5,3x6]C[5,3x6]C[5,4x6]C[5,6])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	C[5,5,3x6](C[5,4x6]C[3x6]C[6,6]N[5])(C[5,3x6]C[4x6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H){1|O<1>,2|O<2>,3|C<3>,4|C<4>,5|H<1>}	C[5,4x6](C[5,5,3x6]C[5,3x6]C[5,6a]C[5,6])(C[3x6]C[6,6]O[6]O)(C[6,6]C[6,6]HH)(N[5]C[5,6a]C){1|N<3>,2|C<4>,3|C<3>,6|H<1>}	C[5,6a](C[5,5,3x6]C[5,3x6]C[5,4x6]C[5,6])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,3|H<1>,4|C<4>}	101.8440	0.000	1	101.8440	0.000	1	101.8440	0.000	1	101.8440	0.000	1	101.8440	0.000	1	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6,6]	C[5,3x6]	C[5,6a]	4:4:3:4:	4:4:4:3:	4:3:3:	C[5,3x6]-4:C[5,3x6]-4:C[5,6a]-3:C[5]-4:	C[5,5,6,6]-4:C[6,6]-4:C[6,6]-4:N[5]-3:	C[5,5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6,6](C[5,3x6]C[4x6]N[5,6]H)(C[5,3x6]C[6,6]2N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(N[5]C[5,6a]C)	C[5,6a](C[5,5,6,6]C[5,3x6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6,6](C[5,3x6]C[4x6]N[5,6]H)(C[5,3x6]C[6,6]2N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){4|C<3>,4|C<4>,6|H<1>}	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(N[5]C[5,6a]C){1|N<3>,2|C<3>,2|C<4>,7|H<1>}	C[5,6a](C[5,5,6,6]C[5,3x6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,4|C<4>,5|H<1>}	100.6830	0.000	1	100.6830	0.000	1	100.3720	0.193	2	100.5290	0.171	3	100.5290	0.171	3	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6,6]	C[5,3x6]	C[5,6a]	4:4:3:4:	4:4:4:3:	4:3:3:	C[5,3x6]-4:C[5,3x6]-4:C[5,6a]-3:C[5]-4:	C[5,5,6,6]-4:C[6,6]-4:C[6,6]-4:N[5]-3:	C[5,5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6,6](C[5,3x6]C[4x6]N[5,6]H)(C[5,3x6]C[6,6]2N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(N[5]C[5,6a]H)	C[5,6a](C[5,5,6,6]C[5,3x6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6,6](C[5,3x6]C[4x6]N[5,6]H)(C[5,3x6]C[6,6]2N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){3|C<4>,4|C<3>,7|H<1>}	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(N[5]C[5,6a]H){1|N<3>,2|C<3>,2|C<4>,7|H<1>}	C[5,6a](C[5,5,6,6]C[5,3x6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,4|C<4>,6|H<1>}	100.0610	0.000	1	100.0610	0.000	1	100.3720	0.193	2	100.5290	0.171	3	100.5290	0.171	3	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6,6]	C[5,3x6]	C[5,6a]	4:4:3:4:	4:4:4:3:	4:3:3:	C[5,5,6,6]-4:C[5,3x6]-4:C[5,6a]-3:C[5]-4:	C[5,5,6,6]-4:C[6,6]-4:C[6,6]-4:N[5]-3:	C[5,5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6,6](C[5,5,6,6]C[5,3x6]N[5,5]H)(C[5,3x6]C[6,6]2N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5,3x6](C[5,5,6,6]C[5,5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(N[5]C[5,6a]H)	C[5,6a](C[5,5,6,6]C[5,5,6,6]C[5,3x6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6,6](C[5,5,6,6]C[5,3x6]N[5,5]H)(C[5,3x6]C[6,6]2N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){3|C<4>,4|C<3>,7|H<1>}	C[5,3x6](C[5,5,6,6]C[5,5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(N[5]C[5,6a]H){1|N<3>,2|C<3>,2|C<4>,7|H<1>}	C[5,6a](C[5,5,6,6]C[5,5,6,6]C[5,3x6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,4|C<4>,6|H<1>}	100.8430	0.000	1	100.8430	0.000	1	100.8430	0.000	1	100.5290	0.171	3	100.5290	0.171	3	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6,6]	C[5,5,6,6]	C[5,5a]	4:3:3:4:	4:3:4:4:	4:3:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,5a]-3:C[5,6,6]-4:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-4:C[5]-4:	C[5,5,6,6]-4:C[5a,6a]-3:C[5,5a]-3:	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,5a]C[5a,6a]C[5,5a])(C[5,6,6]C[5,6,6a]2H)	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,5a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2H)(C[5]C[5,5a]HH)	C[5,5a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,5a]C[5a,6a]C[5,5a])(C[5,6,6]C[5,6,6a]2H){10|C<3>,1|N<3>,3|H<1>}	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,5a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2H)(C[5]C[5,5a]HH){1|H<1>,1|N<3>,9|C<3>}	C[5,5a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5]){1|C<4>,1|S<4>,4|H<1>,7|C<3>}	101.0160	0.000	1	101.0160	0.000	1	101.3450	0.216	2	101.3450	0.216	2	101.3450	0.216	2	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6,6]	C[5,5,6,6]	C[5,5a]	4:3:3:4:	4:3:4:4:	4:3:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,5a]-3:C[5,6,6]-4:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-4:C[5]-4:	C[5,5,6,6]-4:C[5a,6a]-3:C[5,5a]-3:	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,5a]C[5a,6a]C[5,5a])(C[5,6,6]C[5,6,6a]2H)	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,5a])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]2H)(C[5]C[5,5a]HH)	C[5,5a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,5a]C[5a,6a]C[5,5a])(C[5,6,6]C[5,6,6a]2H){10|C<3>,1|N<3>,3|H<1>}	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,5a])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]2H)(C[5]C[5,5a]HH){1|H<1>,1|N<3>,9|C<3>}	C[5,5a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5]){1|C<4>,1|S<4>,4|H<1>,7|C<3>}	101.6740	0.000	1	101.6740	0.000	1	101.3450	0.216	2	101.3450	0.216	2	101.3450	0.216	2	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6,6]	C[5,5,6,6]	C[5,6,6a]	4:3:3:3:	4:3:4:3:	4:3:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:C[5,6a]-3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-4:N[5]-3:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]N[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6a]C[5,6a]C[6a])	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C)(N[5]C[5,6a]C)	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6]C[5,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]N[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6a]C[5,6a]C[6a]){10|C<3>,1|H<1>,2|C<4>}	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C)(N[5]C[5,6a]C){10|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6]C[5,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|N<3>,2|C<4>,9|C<3>}	103.4870	0.000	1	103.4870	0.000	1	103.4870	0.000	1	103.4870	0.000	1	104.1442	3.310	12	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6,6]	C[5,5,6,6]	C[5,6,6a]	4:3:3:4:	4:3:3:4:	4:3:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:C[5,6]-4:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5a,6,6]-3:C[5,6]-4:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5a,6,6]C[5,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6]C[5,6]C[6]H)	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6,6]C[5a,6,6a]C[5a,6,6])(C[5,6]C[5,6]C[6]H)	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6]C[5,6])(C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5a,6,6]C[5,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6]C[5,6]C[6]H){1|O<1>,3|C<4>,3|H<1>,7|C<3>}	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6,6]C[5a,6,6a]C[5a,6,6])(C[5,6]C[5,6]C[6]H){1|O<1>,3|C<4>,3|H<1>,7|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6]C[5,6])(C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|H<1>,3|C<4>,9|C<3>}	103.3450	0.000	1	103.3450	0.000	1	103.3450	0.000	1	103.5173	0.225	4	104.1442	3.310	12	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6,6]	C[5,5,6,6]	C[5,6,6a]	4:3:3:4:	4:3:3:4:	4:3:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:C[5]-4:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:C[5]-4:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2)(C[5]C[5]CH)	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5]C[5]CH)	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6]C[5])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2)(C[5]C[5]CH){1|H<1>,1|O<1>,3|C<4>,7|C<3>}	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5]C[5]CH){1|H<1>,1|O<1>,2|C<4>,7|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6]C[5])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|H<1>,4|C<4>,8|C<3>}	103.1200	0.000	1	103.1200	0.000	1	103.1200	0.000	1	103.5173	0.225	4	104.1442	3.310	12	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6,6]	C[5,5,6,6]	C[5,6,6a]	4:3:3:4:	4:3:3:4:	4:3:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:C[5]-4:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:C[5]-4:	C[5,5,6,6]-4:C[5a,6,6a]-3:C[5,6a,6a]-3:	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5]C[5]CH)	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2)(C[5]C[5]CH)	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6]C[5])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5]C[5]CH){1|H<1>,1|O<1>,2|C<4>,7|C<3>}	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2)(C[5]C[5]CH){1|H<1>,1|O<1>,3|C<4>,7|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6]C[5])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a]){1|H<1>,2|C<4>,9|C<3>}	104.2060	0.000	1	104.2060	0.000	1	104.2060	0.000	1	103.5173	0.225	4	104.1442	3.310	12	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6,6]	C[5,5,6,6]	C[5,6,6a]	4:3:3:4:	4:3:3:4:	4:3:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5a,6,6]-3:C[5,6]-4:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:C[5,6]-4:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6,6]C[5a,6,6a]C[5a,6,6])(C[5,6]C[5,6]C[6]H)	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5a,6,6]C[5,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6]C[5,6]C[6]H)	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5a,6,6]C[5,6])(C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6,6]C[5a,6,6a]C[5a,6,6])(C[5,6]C[5,6]C[6]H){1|O<1>,3|C<4>,3|H<1>,7|C<3>}	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5a,6,6]C[5,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6]C[5,6]C[6]H){1|O<1>,3|C<4>,3|H<1>,7|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5a,6,6]C[5,6])(C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|H<1>,3|C<4>,9|C<3>}	103.3980	0.000	1	103.3980	0.000	1	103.3980	0.000	1	103.5173	0.225	4	104.1442	3.310	12	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6,6]	C[5,5,6,6]	C[5,6,6a]	4:3:3:4:	4:3:4:4:	4:3:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,5a]-3:C[5,6,6]-4:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-4:C[5]-4:	C[5,5,6,6]-4:C[5a,6,6a]-3:C[5,6a,6a]-3:	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,5a]C[5a,6a]C[5,5a])(C[5,6,6]C[5,6,6a]2H)	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,5a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2H)(C[5]C[5,5a]HH)	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6]C[5,5a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,5a]C[5a,6a]C[5,5a])(C[5,6,6]C[5,6,6a]2H){10|C<3>,1|N<3>,3|H<1>}	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,5a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2H)(C[5]C[5,5a]HH){1|H<1>,1|N<3>,9|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6]C[5,5a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a]){1|H<1>,2|C<4>,9|C<3>}	104.1840	0.000	1	104.1840	0.000	1	103.9580	0.102	2	103.9580	0.102	2	104.1442	3.310	12	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6,6]	C[5,5,6,6]	C[5,6,6a]	4:3:3:4:	4:3:4:4:	4:3:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,5a]-3:C[5,6,6]-4:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-4:C[5]-4:	C[5,5,6,6]-4:C[5a,6,6a]-3:C[5,6a,6a]-3:	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,5a]C[5a,6a]C[5,5a])(C[5,6,6]C[5,6,6a]2H)	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,5a])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]2H)(C[5]C[5,5a]HH)	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6]C[5,5a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,5a]C[5a,6a]C[5,5a])(C[5,6,6]C[5,6,6a]2H){10|C<3>,1|N<3>,3|H<1>}	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,5a])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]2H)(C[5]C[5,5a]HH){1|H<1>,1|N<3>,9|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6]C[5,5a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a]){1|H<1>,2|C<4>,9|C<3>}	103.7320	0.000	1	103.7320	0.000	1	103.9580	0.102	2	103.9580	0.102	2	104.1442	3.310	12	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6,6]	C[5,5,6,6]	C[5,6,6a]	4:3:4:3:	4:3:3:3:	4:3:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-4:N[5]-3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:C[5,6a]-3:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C)(N[5]C[5,6a]C)	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]N[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6a]C[5,6a]C[6a])	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6]N[5])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C)(N[5]C[5,6a]C){10|C<3>}	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]N[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6a]C[5,6a]C[6a]){10|C<3>,1|H<1>,2|C<4>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6]N[5])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){11|C<3>,1|C<4>}	103.1250	0.000	1	103.1250	0.000	1	103.1250	0.000	1	103.1250	0.000	1	104.1442	3.310	12	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6,6]	C[5,5,6,6]	C[5,6,6a]	4:3:4:3:	4:3:4:3:	4:3:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-4:C[5]-3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-4:N[5]-3:	C[5,5,6,6]-4:C[5a,6,6a]-3:C[5,6a,6a]-3:	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]N[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]2H)(C[5]C[6a]N[5])	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]2H)(N[5]N[5]C)	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6]C[5])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]N[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]2H)(C[5]C[6a]N[5]){10|C<3>,1|H<1>,1|N<2>}	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]2H)(N[5]N[5]C){1|H<1>,9|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6]C[5])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,8|C<3>}	107.5530	0.000	1	107.5530	0.000	1	107.5530	0.000	1	107.8615	0.190	2	104.1442	3.310	12	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6,6]	C[5,5,6,6]	C[5,6,6a]	4:3:4:3:	4:3:4:3:	4:3:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-4:N[5]-3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-4:C[5]-3:	C[5,5,6,6]-4:C[5a,6,6a]-3:C[5,6a,6a]-3:	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]2H)(N[5]N[5]C)	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]N[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]2H)(C[5]C[6a]N[5])	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6]N[5])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]2H)(N[5]N[5]C){1|H<1>,9|C<3>}	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]N[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]2H)(C[5]C[6a]N[5]){10|C<3>,1|H<1>,1|N<2>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6]N[5])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a]){1|C<4>,1|H<1>,1|N<2>,9|C<3>}	108.1700	0.000	1	108.1700	0.000	1	108.1700	0.000	1	107.8615	0.190	2	104.1442	3.310	12	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6,6]	C[5,5,6,6]	C[5,6,6a]	4:3:4:4:	4:3:3:4:	4:3:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-4:C[5]-4:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,5a]-3:C[5,6,6]-4:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,5a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2H)(C[5]C[5,5a]HH)	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,5a]C[5a,6a]C[5,5a])(C[5,6,6]C[5,6,6a]2H)	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6]C[5])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,5a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2H)(C[5]C[5,5a]HH){1|H<1>,1|N<3>,9|C<3>}	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,5a]C[5a,6a]C[5,5a])(C[5,6,6]C[5,6,6a]2H){10|C<3>,1|N<3>,3|H<1>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6]C[5])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){1|C<4>,3|H<1>,9|C<3>}	102.1790	0.000	1	102.1790	0.000	1	102.1790	0.000	1	102.7055	0.554	2	104.1442	3.310	12	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6,6]	C[5,5,6,6]	C[5,6,6a]	4:3:4:4:	4:3:3:4:	4:3:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-4:C[5]-4:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,5a]-3:C[5,6,6]-4:	C[5,5,6,6]-4:C[5a,6,6a]-3:C[5,6a,6a]-3:	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,5a])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]2H)(C[5]C[5,5a]HH)	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,5a]C[5a,6a]C[5,5a])(C[5,6,6]C[5,6,6a]2H)	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6]C[5])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,5a])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]2H)(C[5]C[5,5a]HH){1|H<1>,1|N<3>,9|C<3>}	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,5a]C[5a,6a]C[5,5a])(C[5,6,6]C[5,6,6a]2H){10|C<3>,1|N<3>,3|H<1>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6]C[5])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a]){1|C<4>,3|H<1>,9|C<3>}	103.2320	0.000	1	103.2320	0.000	1	103.2320	0.000	1	102.7055	0.554	2	104.1442	3.310	12	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6,6]	C[5,5,6,6]	C[5,6a]	3:3:4:3:	3:3:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:C[5,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:C[5]-3:	C[5,5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2C[5])(C[5,6a]C[5,6a]C[6a])	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2C[5,6a])(C[5]C[5,6a]O)	C[5,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]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]2C[5])(C[5,6a]C[5,6a]C[6a]){10|C<3>,1|H<1>,1|O<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]2C[5,6a])(C[5]C[5,6a]O){10|C<3>}	C[5,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,7|C<3>}	103.1870	0.000	1	103.1870	0.000	1	103.1870	0.000	1	103.1870	0.000	1	103.6620	0.725	5	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6,6]	C[5,5,6,6]	C[5,6a]	3:4:3:3:	4:3:3:3:	4:3:3:	C[5,6,6a]-3:C[5,5,6,6]-4:C[5,6a]-3:C[5,6]-3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[5,6a]-3:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[6a]-3:	C[5,5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2C[5,6a])(C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6]C[6,6])	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6a]C[5,6])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6a]C[5,6a,6a]C[6a])	C[5,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)	C[5,5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2C[5,6a])(C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6]C[6,6]){2|C<4>,2|H<1>,9|C<3>}	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6a]C[5,6])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6a]C[5,6a,6a]C[6a]){10|C<3>,1|C<4>,1|H<1>}	C[5,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,8|C<3>}	103.1360	0.000	1	103.1360	0.000	1	103.1360	0.000	1	103.1360	0.000	1	103.6620	0.725	5	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6,6]	C[5,5,6,6]	C[5,6a]	4:3:3:3:	3:4:3:3:	4:3:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[5,6a]-3:	C[5,6,6a]-3:C[5,5,6,6]-4:C[5,6a]-3:C[5,6]-3:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[6a]-3:	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6a]C[5,6])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6a]C[5,6a,6a]C[6a])	C[5,5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2C[5,6a])(C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6]C[6,6])	C[5,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6a]C[5,6])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6a]C[5,6a,6a]C[6a]){10|C<3>,1|C<4>,1|H<1>}	C[5,5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2C[5,6a])(C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6]C[6,6]){2|C<4>,2|H<1>,9|C<3>}	C[5,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,9|C<3>}	105.0720	0.000	1	105.0720	0.000	1	105.0720	0.000	1	105.0720	0.000	1	103.6620	0.725	5	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6,6]	C[5,5,6,6]	C[5,6a]	4:3:3:3:	4:3:4:3:	4:3:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:C[5,6a]-3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-4:N[5]-3:	C[5,5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]N[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6a]C[5,6a]C[6a])	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C)(N[5]C[5,6a]C)	C[5,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]N[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6a]C[5,6a]C[6a]){10|C<3>,1|H<1>,2|C<4>}	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C)(N[5]C[5,6a]C){10|C<3>}	C[5,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,7|C<3>}	103.8620	0.000	1	103.8620	0.000	1	103.8620	0.000	1	103.8620	0.000	1	103.6620	0.725	5	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6,6]	C[5,5,6,6]	C[5,6a]	4:3:4:4:	4:4:3:4:	4:3:3:	C[5,5,6,6]-4:C[5,6a]-3:C[3x6]-4:C[5]-4:	C[5,5,6,6]-4:C[3x6]-4:C[5]-3:C[5]-4:	C[5,5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6,6](C[5,5,6,6]C[3x6]C[5]2)(C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2C)(C[5]C[5]HH)	C[5,5,6,6](C[5,5,6,6]C[5,6a]C[3x6]C[5])(C[3x6]C[6,6]2H)(C[5]C[5,6a]O)(C[5]C[5]HH)	C[5,6a](C[5,5,6,6]C[5,5,6,6]C[3x6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5,6,6](C[5,5,6,6]C[3x6]C[5]2)(C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2C)(C[5]C[5]HH){1|O<2>,2|O<1>,4|C<3>,6|H<1>}	C[5,5,6,6](C[5,5,6,6]C[5,6a]C[3x6]C[5])(C[3x6]C[6,6]2H)(C[5]C[5,6a]O)(C[5]C[5]HH){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,5,6,6]C[5,5,6,6]C[3x6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,3|C<3>,3|H<1>,4|C<4>}	103.0530	0.000	1	103.0530	0.000	1	103.0530	0.000	1	103.0530	0.000	1	103.6620	0.725	5	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6,6]	C[5,5,6]	C[5,6,6a]	3:4:4:3:	4:3:3:2:	3:3:4:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5,6]-4:N[6]-3:	C[5,5,6,6]-4:C[5,6a]-3:N[6]-3:O[5]-2:	C[5a,6,6a]-3:C[5,6a,6a]-3:C[5,5,6,6]-4:	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,6a]N[6]O[5])(N[6]C[6,6a]H)	C[5,5,6](C[5,5,6,6]C[5,6,6a]C[5,5,6]N[6])(C[5,6a]C[5,6a,6a]C[5a,6a])(N[6]C[6,6a]H)(O[5]C[5,5])	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5a,6a,6a]C[5,6a])(C[5,5,6,6]C[5,5,6]2N[6])	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,6a]N[6]O[5])(N[6]C[6,6a]H){1|H<1>,1|O<2>,8|C<3>}	C[5,5,6](C[5,5,6,6]C[5,6,6a]C[5,5,6]N[6])(C[5,6a]C[5,6a,6a]C[5a,6a])(N[6]C[6,6a]H)(O[5]C[5,5]){1|O<2>,2|H<1>,8|C<3>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5a,6a,6a]C[5,6a])(C[5,5,6,6]C[5,5,6]2N[6]){1|C<4>,1|N<3>,1|O<2>,2|H<1>,7|C<3>}	103.2220	0.000	1	103.2220	0.000	1	103.2220	0.000	1	103.2220	0.000	1	101.9567	1.214	3	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6,6]	C[5,5,6]	C[5,6,6a]	4:3:4:1:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[5,6,6]-4:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[6,6]-3:H-1:	C[5,5,6,6]-4:C[5,6,6a]-3:C[6a]-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)	C[5,5,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]H)(C[5,5,6]C[5,6,6a]N[5,6]H)(C[6,6]C[6,6]C[6])(H)	C[5,6,6a](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]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){2|H<1>,5|C<3>}	C[5,5,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]H)(C[5,5,6]C[5,6,6a]N[5,6]H)(C[6,6]C[6,6]C[6])(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,5|H<1>}	101.4380	0.000	1	101.4380	0.000	1	101.3240	0.026	2	101.3240	0.026	2	101.9567	1.214	3	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6,6]	C[5,5,6]	C[5,6,6a]	4:3:4:1:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[5,6,6]-4:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[6,6]-3:H-1:	C[5,5,6,6]-4:C[5,6,6a]-3:C[6a]-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)	C[5,5,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]H)(C[5,5,6]C[5,6,6a]O[5,6]H)(C[6,6]C[6,6]C[6])(H)	C[5,6,6a](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]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){2|H<1>,4|C<3>}	C[5,5,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]H)(C[5,5,6]C[5,6,6a]O[5,6]H)(C[6,6]C[6,6]C[6])(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6,6a](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|C<3>,2|O<2>,5|H<1>}	101.2100	0.000	1	101.2100	0.000	1	101.3240	0.026	2	101.3240	0.026	2	101.9567	1.214	3	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6,6]	C[5,5,6]	C[5,6a]	4:3:4:3:	4:3:2:2:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:C[6,6]-3:	C[5,5,6,6]-4:C[6,6a]-3:O[5]-2:O[5]-2:	C[5,5,6,6]-4:C[5,6a]-3:C[6a]-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)	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[5,6a](C[5,5,6,6]C[5,5,6]C[5,6]C[6,6])(C[5,6a]C[6,6a]O[5])(C[6a]C[6a]H)	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[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[5,6a](C[5,5,6,6]C[5,5,6]C[5,6]C[6,6])(C[5,6a]C[6,6a]O[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	100.7360	0.395	2	100.7360	0.156	2	100.7360	0.156	2	100.7360	0.156	2	102.6022	4.756	4	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6,6]	C[5,5,6]	C[5,6a]	4:4:3:2:	4:4:3:1:	4:3:3:	C[5,6,6]-4:C[5,5,6]-4:C[5,6a]-3:O[5,6]-2:	C[5,5,6,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6,6](C[5,6,6]C[5,6,6]C[5,6a]C[5])(C[5,5,6]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,5,6])	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6a]O[5,6])(C[5,5,6]C[5,5,6]C[5,6]C[6a])(C[5]C[5,6a]O)(H)	C[5,6a](C[5,5,6,6]C[5,5,6]C[5,6,6]O[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5,6,6](C[5,6,6]C[5,6,6]C[5,6a]C[5])(C[5,5,6]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,5,6]){1|H<1>,1|N<3>,1|O<2>,2|C<4>,2|O<1>,6|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[5,6a](C[5,5,6,6]C[5,5,6]C[5,6,6]O[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	104.7680	0.000	1	104.7680	0.000	1	104.7680	0.000	1	104.7680	0.000	1	102.6022	4.756	4	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6,6]	C[5,5,6]	C[5,6a]	4:4:3:4:	4:4:3:1:	4:3:3:	C[5,5,3x6]-4:C[5,5,6]-4:C[5,6a]-3:C[6]-4:	C[5,5,6,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6,6](C[5,5,3x6]N[5,6,6]C[6,6]O[5,5])(C[5,5,6]C[5,5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]N[6]CH)	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,6a]C[6])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]S)(H)	C[5,6a](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6,6](C[5,5,3x6]N[5,6,6]C[6,6]O[5,5])(C[5,5,6]C[5,5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]N[6]CH){1|H<1>,1|S<4>,4|C<4>,5|C<3>}	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,6a]C[6])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]S)(H){1|C<4>,1|H<1>,1|O<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,1|S<4>,2|C<3>,2|C<4>,2|N<3>,4|H<1>}	104.1690	0.000	1	104.1690	0.000	1	104.1690	0.000	1	104.1690	0.000	1	102.6022	4.756	4	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6,6]	C[5,5]	C[5,6,6a]	3:3:4:3:	4:4:1:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,5]-4:C[6]-3:	C[5,5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6]C[6])(C[5,5]C[5,5,6]HH)(C[6]C[6]H)	C[5,5](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[6])(C[5,5,6]C[5,6,6a]C[5,6]H)(H)2	C[5,6,6a](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6]C[6])(C[5,5]C[5,5,6]HH)(C[6]C[6]H){4|C<3>,4|H<1>}	C[5,5](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[6])(C[5,5,6]C[5,6,6a]C[5,6]H)(H)2{1|H<1>,5|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){4|C<3>,6|H<1>}	98.6461	0.000	1	98.6461	0.000	1	98.6461	0.000	1	98.6461	0.000	1	98.6461	0.000	1	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6,6]	C[5,6,6]	C[5,6a]	4:4:3:4:	4:4:4:1:	4:3:3:	C[5,3x6]-4:C[5,6,6]-4:C[5,6a]-3:C[5]-4:	C[5,5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5])(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]HH)(H)	C[5,6a](C[5,5,6,6]C[5,3x6]C[5,6,6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){1|C<4>,1|O<2>,2|C<3>,2|O<1>,5|H<1>}	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5])(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]HH)(H){1|C<4>,4|H<1>,5|C<3>}	C[5,6a](C[5,5,6,6]C[5,3x6]C[5,6,6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,8|H<1>}	104.4290	0.102	2	104.4290	0.010	2	104.4290	0.010	2	104.4290	0.010	2	104.4290	0.010	2	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6,6]	C[5,6]	C[5,6,6a]	3:4:4:4:	4:4:2:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6]-4:C[5]-4:	C[5,5,6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,5,6,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,5,6,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[5,6]C[6]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]HH)	C[5,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6]C[6]O[5]2)(O[5]C[5,6a])(H)	C[5,6,6a](C[5,5,6,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[5,5,6,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[5,6]C[6]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]HH){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[5,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6]C[6]O[5]2)(O[5]C[5,6a])(H){2|C<3>,5|C<4>,5|H<1>}	C[5,6,6a](C[5,5,6,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	99.4011	0.000	1	99.4011	0.000	1	99.4011	0.000	1	99.4011	0.000	1	99.4011	0.000	1	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6,6]	C[5,6]	C[5,6a]	4:3:4:4:	4:3:4:3:	4:3:3:	C[5,3x6]-4:C[5,6a]-3:C[5,6]-4:C[5,6]-4:	C[5,5,6,6]-4:N[5]-3:C[6]-4:C-3:	C[5,5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6,6](C[5,3x6]C[3x6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]C)	C[5,6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5,6])(N[5]C[5,6a]H)(C[6]C[6]HH)(COO)	C[5,6a](C[5,5,6,6]C[5,3x6]C[5,6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6,6](C[5,3x6]C[3x6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]C){1|O<1>,2|C<3>,4|C<4>,7|H<1>}	C[5,6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5,6])(N[5]C[5,6a]H)(C[6]C[6]HH)(COO){1|N<4>,2|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,5,6,6]C[5,3x6]C[5,6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<4>,3|C<3>,3|C<4>,5|H<1>}	100.2970	0.000	1	100.2970	0.000	1	100.2970	0.000	1	100.2970	0.000	1	100.2970	0.000	1	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[3x5,6]	C[5,6a]	4:3:2:2:	4:4:4:3:	4:3:3:	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[5,6a]-3:C[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)	C[5,6a](C[5,5,6]C[3x5,6]O[5]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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>}	C[5,6a](C[5,5,6]C[3x5,6]O[5]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	106.2620	0.000	1	106.2620	0.000	1	106.2620	0.000	1	106.2620	0.000	1	103.8752	5.172	4	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[3x5,6]	C[5,6a]	4:3:3:4:	4:4:2:3:	4:3:3:	C[3x5,6]-4:C[5,6a]-3:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:N[5]-3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[3x5,6]C[5,6]O[5,5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C)(CH3)	C[3x5,6](C[5,5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(N[5]C[5,6a]C)	C[5,6a](C[5,5,6]C[3x5,6]C[5,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[3x5,6]C[5,6]O[5,5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C)(CH3){1|C<4>,3|C<3>,4|H<1>}	C[3x5,6](C[5,5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(N[5]C[5,6a]C){3|C<3>,3|H<1>}	C[5,6a](C[5,5,6]C[3x5,6]C[5,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	100.9260	0.000	1	100.9260	0.000	1	100.9260	0.000	1	100.9260	0.000	1	103.8752	5.172	4	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[3x5,6]	C[5,6a]	4:3:4:4:	4:4:3:3:	4:3:3:	C[3x5,6]-4:C[5,6a]-3:C[5]-4:C[6]-4:	C[5,5,6]-4:C[5,6]-4:N[5]-3:N[5,5]-3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[3x5,6]C[5,6]N[5,5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HO)	C[3x5,6](C[5,5,6]C[5,6a]C[5]C[6])(C[5,6]C[5]C[6]H)(N[5]C[5,6a]C)(N[5,5]C[5]2)	C[5,6a](C[5,5,6]C[3x5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[3x5,6]C[5,6]N[5,5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HO){1|C<4>,5|C<3>,5|H<1>}	C[3x5,6](C[5,5,6]C[5,6a]C[5]C[6])(C[5,6]C[5]C[6]H)(N[5]C[5,6a]C)(N[5,5]C[5]2){1|O<2>,4|C<3>,8|H<1>}	C[5,6a](C[5,5,6]C[3x5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,5|H<1>}	103.4630	0.000	1	103.4630	0.000	1	103.4630	0.000	1	103.4630	0.000	1	103.8752	5.172	4	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[3x5,6]	C[5,6a]	4:4:3:2:	4:4:3:3:	4:3:3:	C[3x5,6]-4:C[5,5,6]-4:C[5,6a]-3:O-2:	C[3x5,6]-4:C[5,5,6]-4:C[5]-3:N[5]-3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[3x5,6]C[3x5,6]C[5]N[5])(C[5,5,6]C[5,5]S[5,6]H)(C[5,6a]C[5,6a]C[6a])(OH)	C[3x5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,5,6]C[5,5,6]C[5,6a]O)(C[5]C[5,6a]O)(N[5]C[5]C)	C[5,6a](C[5,5,6]C[3x5,6]C[5,5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5,6](C[3x5,6]C[3x5,6]C[5]N[5])(C[5,5,6]C[5,5]S[5,6]H)(C[5,6a]C[5,6a]C[6a])(OH){1|H<1>,2|C<3>,2|O<1>,4|C<4>}	C[3x5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,5,6]C[5,5,6]C[5,6a]O)(C[5]C[5,6a]O)(N[5]C[5]C){1|O<1>,1|S<2>,3|C<3>,6|H<1>}	C[5,6a](C[5,5,6]C[3x5,6]C[5,5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|C<3>,3|H<1>}	104.8500	0.000	1	104.8500	0.000	1	104.8500	0.000	1	104.8500	0.000	1	103.8752	5.172	4	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[3x5]	C[5,5a,6]	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[5,5a,6]-3:C[5a]-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[5,5a,6](C[5,5,6]C[3x5]C[5,6]C[6a])(C[5,5a,6]C[3x5,6]C[5a])(C[5a]N[5a]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){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[5,5a,6](C[5,5,6]C[3x5]C[5,6]C[6a])(C[5,5a,6]C[3x5,6]C[5a])(C[5a]N[5a]H){1|S<4>,3|C<3>,3|C<4>,3|H<1>}	99.0447	0.495	2	99.0447	0.245	2	99.0447	0.245	2	99.0447	0.245	2	99.0447	0.245	2	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5,6,6]	C[5,6a]	4:3:3:2:	3:4:4:3:	3:4:3:	C[5,5,6,6]-4:C[5,6a]-3:N[6]-3:O[5]-2:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5,6]-4:N[6]-3:	C[5,6a,6a]-3:C[5,5,6]-4:C[5a,6a]-3:	C[5,5,6](C[5,5,6,6]C[5,6,6a]C[5,5,6]N[6])(C[5,6a]C[5,6a,6a]C[5a,6a])(N[6]C[6,6a]H)(O[5]C[5,5])	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,6a]N[6]O[5])(N[6]C[6,6a]H)	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,5,6]C[5,5,6,6]N[6]O[5])(C[5a,6a]C[5a,6a,6a]C[5a])	C[5,5,6](C[5,5,6,6]C[5,6,6a]C[5,5,6]N[6])(C[5,6a]C[5,6a,6a]C[5a,6a])(N[6]C[6,6a]H)(O[5]C[5,5]){1|O<2>,2|H<1>,8|C<3>}	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,6a]N[6]O[5])(N[6]C[6,6a]H){1|H<1>,1|O<2>,8|C<3>}	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,5,6]C[5,5,6,6]N[6]O[5])(C[5a,6a]C[5a,6a,6a]C[5a]){1|H<1>,1|N<3>,1|O<1>,2|C<4>,6|C<3>}	104.9400	0.000	1	104.9400	0.000	1	104.9400	0.000	1	104.9400	0.000	1	102.6434	4.990	4	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5,6,6]	C[5,6a]	4:3:3:4:	4:4:3:2:	4:3:3:	C[5,5,6,6]-4:C[5,6a]-3:C[5,6a]-3:C[6]-4:	C[5,5,6]-4:C[3x6]-4:N[5,6]-3:O[5]-2:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6,6]C[3x6]N[5,6]O[5])(C[5,6a]C[5,6a]C[6a])2(C[6]C[6]HH)	C[5,5,6,6](C[5,5,6]C[5,6a]2C[6])(C[3x6]C[6,6]N[6,6]H)(N[5,6]C[5,6a]C[6])(O[5]C[5,6a])	C[5,6a](C[5,5,6]C[5,5,6,6]C[5,6a]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)	C[5,5,6](C[5,5,6,6]C[3x6]N[5,6]O[5])(C[5,6a]C[5,6a]C[6a])2(C[6]C[6]HH){1|N<3>,2|C<4>,4|C<3>,5|H<1>}	C[5,5,6,6](C[5,5,6]C[5,6a]2C[6])(C[3x6]C[6,6]N[6,6]H)(N[5,6]C[5,6a]C[6])(O[5]C[5,6a]){3|C<4>,5|C<3>,5|H<1>}	C[5,6a](C[5,5,6]C[5,5,6,6]C[5,6a]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	102.0380	0.000	1	102.0380	0.000	1	100.9243	2.481	2	100.9243	2.481	2	102.6434	4.990	4	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5,6,6]	C[5,6a]	4:3:3:4:	4:4:3:2:	4:3:3:	C[5,5,6,6]-4:C[5,6a]-3:C[5,6a]-3:C[6]-4:	C[5,5,6]-4:C[3x6]-4:N[5,6]-3:O[5]-2:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6,6]C[3x6]N[5,6]O[5])(C[5,6a]C[5,6a]C[6a])2(C[6]C[6]HH)	C[5,5,6,6](C[5,5,6]C[5,6a]2C[6])(C[3x6]C[6,6]N[6,6]H)(N[5,6]C[5,6a]C[6])(O[5]C[5,6a])	C[5,6a](C[5,5,6]C[5,5,6,6]C[5,6a]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6,6]C[3x6]N[5,6]O[5])(C[5,6a]C[5,6a]C[6a])2(C[6]C[6]HH){1|N<3>,2|C<4>,4|C<3>,5|H<1>}	C[5,5,6,6](C[5,5,6]C[5,6a]2C[6])(C[3x6]C[6,6]N[6,6]H)(N[5,6]C[5,6a]C[6])(O[5]C[5,6a]){3|C<4>,5|C<3>,5|H<1>}	C[5,6a](C[5,5,6]C[5,5,6,6]C[5,6a]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	99.8106	0.000	1	99.8106	0.000	1	100.9243	2.481	2	100.9243	2.481	2	102.6434	4.990	4	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5,6,6]	C[5,6a]	4:3:4:4:	4:4:3:3:	4:3:3:	C[5,5,6,6]-4:C[5,6a]-3:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:N[5]-3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6,6]C[6,6]N[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HO)	C[5,5,6,6](C[5,5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(N[5]C[5,6a]C)	C[5,6a](C[5,5,6]C[5,5,6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6,6]C[6,6]N[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HO){2|C<4>,3|C<3>,7|H<1>}	C[5,5,6,6](C[5,5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(N[5]C[5,6a]C){1|C<4>,1|O<2>,3|C<3>,8|H<1>}	C[5,6a](C[5,5,6]C[5,5,6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	103.7850	0.000	1	103.7850	0.000	1	103.7850	0.000	1	103.7850	0.000	1	102.6434	4.990	4	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,5,6a]	3:3:4:1:	4:3:4:1:	4:3:3:	C[5,5,6a]-3:C[5,6,6a]-3:C[5,5,6]-4:Cl-1:	C[5,5,6]-4:C[5,6,6a]-3:C[5,5,6]-4:Cl-1:	C[5,5,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,5,6](C[5,5,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(Cl)	C[5,5,6](C[5,5,6]C[5,5,6a]C[5,6,6a]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]2Cl)(Cl)	C[5,5,6a](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[6,6,6a]C[5,5,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,5,6](C[5,5,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(Cl){1|Cl<1>,7|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6a]C[5,6,6a]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]2Cl)(Cl){7|C<3>}	C[5,5,6a](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[6,6,6a]C[5,5,6])(C[5,6a,6a]C[5,6a,6a]2){2|Cl<1>,1|C<4>,6|C<3>}	103.6090	0.000	1	103.6090	0.000	1	103.6090	0.000	1	103.6090	0.000	1	103.6090	0.000	1	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6,6a]	3:3:4:1:	3:3:4:1:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6]-4:Cl-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6]-4:Cl-1:	C[5,6a,6a]-3:C[5,5,6]-4:C[5,6,6a]-3:	C[5,5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,5,6]C[5,6,6a]2Cl)(Cl)	C[5,5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6]C[5,6,6a]2Cl)(Cl)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,5,6]C[5,6,6a]2Cl)(Cl){1|C<4>,6|C<3>}	C[5,5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6]C[5,6,6a]2Cl)(Cl){1|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6]){2|Cl<1>,8|C<3>}	105.0390	0.000	1	105.0390	0.000	1	104.2922	0.299	4	104.3610	0.239	8	103.1945	2.796	25	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6,6a]	3:3:4:1:	3:3:4:1:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6]-4:Cl-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6]-4:Cl-1:	C[5,6a,6a]-3:C[5,5,6]-4:C[5,6,6a]-3:	C[5,5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,5,6]C[5,6,6a]2Cl)(Cl)	C[5,5,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,5,6]C[5,6,6a]2Cl)(Cl)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,5,6]C[5,6,6a]2Cl)(Cl){1|C<4>,6|C<3>}	C[5,5,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,5,6]C[5,6,6a]2Cl)(Cl){7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6]){2|Cl<1>,8|C<3>}	104.1205	0.342	2	104.1205	0.117	2	104.2922	0.299	4	104.3610	0.239	8	103.1945	2.796	25	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6,6a]	3:3:4:1:	3:3:4:1:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6]-4:Cl-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6]-4:Cl-1:	C[5,6a,6a]-3:C[5,5,6]-4:C[5,6,6a]-3:	C[5,5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6]C[5,6,6a]2Cl)(Cl)	C[5,5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,5,6]C[5,6,6a]2Cl)(Cl)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,5,6])	C[5,5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6]C[5,6,6a]2Cl)(Cl){1|C<4>,6|C<3>}	C[5,5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,5,6]C[5,6,6a]2Cl)(Cl){1|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,5,6]){2|Cl<1>,1|C<4>,7|C<3>}	103.8890	0.000	1	103.8890	0.000	1	104.2922	0.299	4	104.3610	0.239	8	103.1945	2.796	25	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6,6a]	3:3:4:1:	3:3:4:1:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6]-4:Cl-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6]-4:Cl-1:	C[5,6a,6a]-3:C[5,5,6]-4:C[6,6a,6a]-3:	C[5,5,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,5,6]C[5,6,6a]2Cl)(Cl)	C[5,5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,5,6]C[5,6,6a]2Cl)(Cl)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[6,6a,6a]C[6,6,6a]C[3x6a])	C[5,5,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,5,6]C[5,6,6a]2Cl)(Cl){7|C<3>}	C[5,5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,5,6]C[5,6,6a]2Cl)(Cl){1|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[6,6a,6a]C[6,6,6a]C[3x6a]){1|Cl<1>,8|C<3>}	104.1165	0.573	2	104.1165	0.329	2	104.1165	0.329	2	104.3610	0.239	8	103.1945	2.796	25	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6,6a]	3:3:4:1:	3:3:4:1:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6]-4:Cl-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6]-4:Cl-1:	C[6,6,6a]-3:C[5,5,6]-4:C[5,6a,6a]-3:	C[5,5,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,5,6]C[5,6,6a]2Cl)(Cl)	C[5,5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,5,6]C[5,6,6a]2Cl)(Cl)	C[5,6,6a](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[5,6a,6a]C[5,6,6a]C[3x6a])	C[5,5,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,5,6]C[5,6,6a]2Cl)(Cl){7|C<3>}	C[5,5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,5,6]C[5,6,6a]2Cl)(Cl){1|C<4>,6|C<3>}	C[5,6,6a](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[5,6a,6a]C[5,6,6a]C[3x6a]){1|Cl<1>,8|C<3>}	104.7430	0.133	2	104.7430	0.018	2	104.7430	0.018	2	104.3610	0.239	8	103.1945	2.796	25	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6,6a]	3:3:4:1:	3:3:4:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6]-4:Cl-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6]-4:Cl-1:	C[5,5,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6]C[5,6,6a]2Cl)(Cl)	C[5,5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,5,6]C[5,6,6a]2Cl)(Cl)	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,5,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])	C[5,5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6]C[5,6,6a]2Cl)(Cl){1|C<4>,6|C<3>}	C[5,5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,5,6]C[5,6,6a]2Cl)(Cl){1|C<4>,6|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,5,6])(C[5,6a,6a]C[5,6,6a]C[3x6a]){2|Cl<1>,1|C<4>,7|C<3>}	103.7190	0.000	1	103.7190	0.000	1	103.7190	0.000	1	103.6912	0.626	4	103.1945	2.796	25	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6,6a]	3:3:4:1:	3:3:4:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6]-4:Cl-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6]-4:Cl-1:	C[5,5,6]-4:C[5,6a,6a]-3:C[6,6,6a]-3:	C[5,5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,5,6]C[5,6,6a]2Cl)(Cl)	C[5,5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6]C[5,6,6a]2Cl)(Cl)	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])	C[5,5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,5,6]C[5,6,6a]2Cl)(Cl){1|C<4>,6|C<3>}	C[5,5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6]C[5,6,6a]2Cl)(Cl){1|C<4>,6|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[6,6,6a]C[5,6,6a]C[5,6,6]){2|Cl<1>,1|C<4>,7|C<3>}	104.7060	0.000	1	104.7060	0.000	1	103.6820	0.939	3	103.6912	0.626	4	103.1945	2.796	25	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6,6a]	3:3:4:1:	3:3:4:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6]-4:Cl-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6]-4:Cl-1:	C[5,5,6]-4:C[5,6a,6a]-3:C[6,6,6a]-3:	C[5,5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,5,6]C[5,6,6a]2Cl)(Cl)	C[5,5,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,5,6]C[5,6,6a]2Cl)(Cl)	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])	C[5,5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,5,6]C[5,6,6a]2Cl)(Cl){1|C<4>,6|C<3>}	C[5,5,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,5,6]C[5,6,6a]2Cl)(Cl){7|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[6,6,6a]C[5,6,6a]C[5,6,6]){2|Cl<1>,1|C<4>,7|C<3>}	103.1700	0.552	2	103.1700	0.304	2	103.6820	0.939	3	103.6912	0.626	4	103.1945	2.796	25	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6,6a]	3:3:4:1:	4:4:4:1:	3:4:3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,5,6]-4:Cl-1:	C[5,5,6]-4:C[5,6,6]-4:C[5,6,6]-4:Cl-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6,6,6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]C[3x6])(C[5,5,6]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[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,5,6]C[5,5,6]C[5,6,6]Cl)(C[6,6,6a]C[6,6,6a]C[3x6])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]C[3x6])(C[5,5,6]C[5,6,6]2Cl)(Cl){3|Cl<1>,3|C<4>,4|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[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,5,6]C[5,5,6]C[5,6,6]Cl)(C[6,6,6a]C[6,6,6a]C[3x6]){3|Cl<1>,4|C<3>,4|C<4>}	105.6030	0.000	1	105.6030	0.000	1	105.6030	0.000	1	105.6030	0.000	1	103.1945	2.796	25	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6,6a]	3:4:3:1:	4:3:4:1:	3:4:3:	C[5,6,6a]-3:C[5,5,6]-4:C[5,6,6a]-3:Cl-1:	C[5,5,6]-4:C[5,6,6a]-3:C[5,5,6]-4:Cl-1:	C[5,6a,6a]-3:C[5,5,6]-4:C[5,6,6a]-3:	C[5,5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[5,5,6a]C[6,6,6a])(Cl)	C[5,5,6](C[5,5,6]C[5,5,6a]C[5,6,6a]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]2Cl)(Cl)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[5,5,6a]C[6,6,6a])(Cl){1|Cl<1>,1|C<4>,6|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6a]C[5,6,6a]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]2Cl)(Cl){7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6]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>,7|C<3>}	104.8340	0.000	1	104.8340	0.000	1	104.8340	0.000	1	104.8340	0.000	1	103.1945	2.796	25	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6,6a]	3:4:3:1:	4:3:4:1:	4:3:3:	C[5,6,6a]-3:C[5,5,6]-4:C[5,6,6a]-3:Cl-1:	C[5,5,6]-4:C[5,6,6a]-3:C[5,5,6]-4:Cl-1:	C[5,5,6]-4:C[5,5,6a]-3:C[6,6,6a]-3:	C[5,5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[5,5,6a]C[6,6,6a])(Cl)	C[5,5,6](C[5,5,6]C[5,5,6a]C[5,6,6a]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]2Cl)(Cl)	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,5,6a]C[5,6a,6a]C[5,5,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])	C[5,5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[5,5,6a]C[6,6,6a])(Cl){1|Cl<1>,1|C<4>,6|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6a]C[5,6,6a]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]2Cl)(Cl){7|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,5,6a]C[5,6a,6a]C[5,5,6])(C[6,6,6a]C[5,6,6a]C[5,6,6]){3|Cl<1>,1|C<4>,7|C<3>}	103.7890	0.000	1	103.7890	0.000	1	103.7890	0.000	1	103.7890	0.000	1	103.1945	2.796	25	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6,6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[5,6,6a]-3:C[5,5,6]-4: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[5,6,6a]-3:C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,5,6]C[5,6,6]2Cl)(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[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,5,6]C[5,5,6]2Cl)	C[5,5,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,5,6]C[5,6,6]2Cl)(Cl){1|Cl<1>,2|C<4>,5|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[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,5,6]C[5,5,6]2Cl){3|Cl<1>,8|C<3>}	102.8230	0.000	1	102.8230	0.000	1	102.8230	0.000	1	102.8230	0.000	1	103.1945	2.796	25	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6,6a]	3:4:4:1:	4:4:3:1:	3:4:3:	C[5,6,6a]-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]-3:Cl-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6,6,6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[5,5,6]C[5,6,6]2Cl)(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)	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,5,6]C[5,5,6]C[5,6,6]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[5,5,6]C[5,6,6]2Cl)(C[5,6,6]C[5,6,6]2Cl)(Cl){2|Cl<1>,3|C<4>,4|C<3>}	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[6,6,6a]C[5,6,6])(Cl){2|Cl<1>,3|C<4>,4|C<3>}	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,5,6]C[5,5,6]C[5,6,6]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6]){4|Cl<1>,4|C<3>,4|C<4>}	100.5340	0.000	1	100.5340	0.000	1	100.5340	0.000	1	99.3679	2.720	2	103.1945	2.796	25	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6,6a]	3:4:4:1:	4:4:3:1:	3:4:3:	C[5,6,6a]-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]-3:Cl-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6,6a,6a]-3:	C[5,5,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6]2Cl)(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[5,6,6]C[3x6])(Cl)	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,5,6]C[5,5,6]C[5,6,6]Cl)(C[6,6a,6a]C[5,6,6a]C[3x6a])	C[5,5,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6]2Cl)(C[5,6,6]C[5,6,6]2Cl)(Cl){2|Cl<1>,2|C<4>,5|C<3>}	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]C[3x6])(Cl){2|Cl<1>,3|C<4>,4|C<3>}	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,5,6]C[5,5,6]C[5,6,6]Cl)(C[6,6a,6a]C[5,6,6a]C[3x6a]){3|Cl<1>,2|C<4>,6|C<3>}	98.2017	0.000	1	98.2017	0.000	1	98.2017	0.000	1	99.3679	2.720	2	103.1945	2.796	25	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6,6a]	4:3:2:1:	4:4:3:1:	3:4:3:	C[5,5,6]-4:C[5,6,6a]-3:O[5,6]-2:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[6,6]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,6]C[5,6,6])(H)	C[5,5,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]H)(C[5,5,6]C[5,6,6a]O[5,6]H)(C[6,6]C[6,6]C[6])(H)	C[5,6,6a](C[5,6,6a]C[5,5,6,6]C[6a])(C[5,5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,6]C[5,6,6])(H){1|O<2>,3|H<1>,4|C<3>}	C[5,5,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]H)(C[5,5,6]C[5,6,6a]O[5,6]H)(C[6,6]C[6,6]C[6])(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6,6]C[6a])(C[5,5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	102.1570	0.000	1	102.1570	0.000	1	102.1570	0.000	1	102.1570	0.000	1	103.1945	2.796	25	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6,6a]	4:3:2:3:	4:3:2:3:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:O[5]-2:C[6]-3:	C[5,5,6]-4:C[5,6,6a]-3:O[5]-2:C[6]-3:	C[5,5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,5,6](C[5,5,6]C[5,6,6a]C[6]O[5])(C[5,6,6a]C[5,6a]C[6,6a])(O[5]C[5,6a])(C[6]C[6]O)	C[5,5,6](C[5,5,6]C[5,6,6a]C[6]O[5])(C[5,6,6a]C[5,6a]C[6,6a])(O[5]C[5,6a])(C[6]C[6]O)	C[5,6,6a](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[5,5,6](C[5,5,6]C[5,6,6a]C[6]O[5])(C[5,6,6a]C[5,6a]C[6,6a])(O[5]C[5,6a])(C[6]C[6]O){1|H<1>,1|O<1>,6|C<3>}	C[5,5,6](C[5,5,6]C[5,6,6a]C[6]O[5])(C[5,6,6a]C[5,6a]C[6,6a])(O[5]C[5,6a])(C[6]C[6]O){1|H<1>,1|O<1>,6|C<3>}	C[5,6,6a](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|O<1>,3|H<1>,5|C<3>}	102.5770	0.057	2	102.5770	0.003	2	102.5770	0.003	2	102.5770	0.003	2	103.1945	2.796	25	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6,6a]	4:3:3:1:	4:4:3:1:	3:4:3:	C[5,5,6]-4:C[5,6,6a]-3:N[5,6]-3:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[6,6]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(N[5,6]C[5,6,6]C)(H)	C[5,5,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]H)(C[5,5,6]C[5,6,6a]N[5,6]H)(C[6,6]C[6,6]C[6])(H)	C[5,6,6a](C[5,6,6a]C[5,5,6,6]C[6a])(C[5,5,6]C[5,5,6]N[5,6]H)(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(N[5,6]C[5,6,6]C)(H){1|O<2>,3|H<1>,4|C<3>}	C[5,5,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]H)(C[5,5,6]C[5,6,6a]N[5,6]H)(C[6,6]C[6,6]C[6])(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6,6]C[6a])(C[5,5,6]C[5,5,6]N[5,6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	101.1010	0.000	1	101.1010	0.000	1	101.1010	0.000	1	101.1010	0.000	1	103.1945	2.796	25	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6,6a]	4:3:4:1:	3:4:3:1:	3:3:4:	C[5,5,6]-4:C[5,6,6a]-3:C[5,5,6]-4:Cl-1:	C[5,6,6a]-3:C[5,5,6]-4:C[5,6,6a]-3:Cl-1:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6a]C[5,6,6a]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]2Cl)(Cl)	C[5,5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[5,5,6a]C[6,6,6a])(Cl)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6]C[5,5,6]2Cl)	C[5,5,6](C[5,5,6]C[5,5,6a]C[5,6,6a]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]2Cl)(Cl){7|C<3>}	C[5,5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[5,5,6a]C[6,6,6a])(Cl){1|Cl<1>,1|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6]C[5,5,6]2Cl){2|Cl<1>,8|C<3>}	102.2400	0.000	1	102.2400	0.000	1	102.2400	0.000	1	102.2400	0.000	1	103.1945	2.796	25	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6,6a]	4:3:4:1:	4:4:3:1:	3:3:4:	C[5,6,6]-4:C[5,6,6a]-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[5,5,6]-4:	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[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[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,5,6]C[5,5,6]C[5,6,6]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){1|Cl<1>,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[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,5,6]C[5,5,6]C[5,6,6]Cl){3|Cl<1>,8|C<3>}	102.1600	0.000	1	102.1600	0.000	1	102.1600	0.000	1	102.1600	0.000	1	103.1945	2.796	25	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6,6a]	4:4:3:1:	4:3:4:1:	3:4:3:	C[5,6,6]-4: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[5,6,6a]-3:C[5,5,6]-4:C[5,6,6a]-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)	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[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6]C[5,5,6]C[5,6,6]Cl)(C[5,6,6a]C[5,6,6a]C[5,6,6])	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[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[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6]C[5,5,6]C[5,6,6]Cl)(C[5,6,6a]C[5,6,6a]C[5,6,6]){3|Cl<1>,1|C<4>,7|C<3>}	101.6140	0.000	1	101.6140	0.000	1	101.6140	0.000	1	101.6140	0.000	1	103.1945	2.796	25	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6a]	3:3:4:2:	4:4:4:2:	4:3:3:	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[5,6a]-3:C[6a]-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])	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[5,6a](C[5,5,6]C[5,5,6]C[5,6a]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6a]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	103.0705	1.760	4	103.0705	3.099	4	103.0705	3.099	4	103.0705	3.099	4	102.8511	2.629	74	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[5,6a]-3:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5,5,6]-4:	C[5,5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]O)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5,5,6]C[5,5,6]2H)	C[5,5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]O)(H){1|C<4>,2|C<3>,5|H<1>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5,5,6]C[5,5,6]2H){1|O<1>,3|C<4>,3|H<1>,4|C<3>}	103.5310	0.000	1	103.5310	0.000	1	103.5310	0.000	1	103.5310	0.000	1	102.8511	2.629	74	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6a]	3:4:4:1:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[6a,6a]-3:C[5,5,6]-4:C[5,6a]-3:	C[5,5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]C)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])	C[5,5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H){1|C<4>,4|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]C)(H){1|C<4>,2|C<3>,5|H<1>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5]){3|C<4>,4|C<3>,4|H<1>}	103.9170	0.000	1	103.9170	0.000	1	103.9170	0.000	1	103.9170	0.000	1	102.8511	2.629	74	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6a]	3:4:4:2:	4:4:4:2:	4:3:3:	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[5,6a]-3:C[6a]-3:	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])	C[5,6a](C[5,5,6]C[5,5,6]C[5]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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>}	C[5,6a](C[5,5,6]C[5,5,6]C[5]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	102.7690	0.000	1	102.7690	0.000	1	102.7690	0.000	1	102.7690	0.000	1	102.8511	2.629	74	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6a]	3:4:4:2:	4:4:4:4:	4:3:3:	C[5,6a]-3:C[5,5,6]-4:C[6]-4:O[5]-2:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[6]C[6]HH)(O[5]C[5])	C[5,5,6](C[5,5,6]C[5,6a]C[6]O[5])(C[5]C[5,6a]HH)(C[5]C[5]HH)(C[6]O[6]HH)	C[5,6a](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[6]C[6]HH)(O[5]C[5]){10|H<1>,1|O<2>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,6a]C[6]O[5])(C[5]C[5,6a]HH)(C[5]C[5]HH)(C[6]O[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,4|C<4>,6|H<1>}	103.4990	0.000	1	103.4990	0.000	1	103.4990	0.000	1	103.4990	0.000	1	102.8511	2.629	74	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6a]	3:4:4:4:	4:3:4:3:	4:3:3:	C[5,6a]-3:C[3,6]-4:C[5,5,6]-4:C[5]-4:	C[5,5,6]-4:N[5]-3:C[6]-4:N[5]-3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[3,6]C[3,6]O[3]H)(C[5,5,6]C[6]N[5]2)(C[5]C[5]HH)	C[5,5,6](C[5,5,6]C[5,6a]C[3,6]C[5])(N[5]C[5,6a]C)(C[6]C[6]HH)(N[5]C[5]C)	C[5,6a](C[5,5,6]C[5,5,6]C[3,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[3,6]C[3,6]O[3]H)(C[5,5,6]C[6]N[5]2)(C[5]C[5]HH){1|C<4>,4|C<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,6a]C[3,6]C[5])(N[5]C[5,6a]C)(C[6]C[6]HH)(N[5]C[5]C){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]C[3,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|O<2>,3|C<4>,4|H<1>}	101.8440	0.000	1	101.8440	0.000	1	101.8440	0.000	1	101.8932	0.223	5	102.8511	2.629	74	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6a]	3:4:4:4:	4:3:4:3:	4:3:3:	C[5,6a]-3:C[5,5,6]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:N[5]-3:C[6]-4:N[5]-3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[6]N[5]2)(C[5]C[5]HH)(C[6]C[6]CH)	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(N[5]C[5,6a]C)(C[6]C[6]HH)(N[5]C[5]C)	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[6]N[5]2)(C[5]C[5]HH)(C[6]C[6]CH){2|C<4>,4|C<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(N[5]C[5,6a]C)(C[6]C[6]HH)(N[5]C[5]C){2|C<3>,2|C<4>,7|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,4|C<4>,4|H<1>}	101.6490	0.000	1	101.6490	0.000	1	101.9055	0.296	4	101.8932	0.223	5	102.8511	2.629	74	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6a]	3:4:4:4:	4:3:4:3:	4:3:3:	C[5,6a]-3:C[5,5,6]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:N[5]-3:C[6]-4:N[5]-3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[6]N[5]2)(C[5]C[5]HH)(C[6]C[6]CH)	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(N[5]C[5,6a]H)(C[6]C[6]HH)(N[5]C[5]C)	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[6]N[5]2)(C[5]C[5]HH)(C[6]C[6]CH){2|C<4>,3|C<3>,7|H<1>}	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(N[5]C[5,6a]H)(C[6]C[6]HH)(N[5]C[5]C){1|C<4>,3|C<3>,7|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	102.0590	0.000	1	102.0590	0.000	1	101.9055	0.296	4	101.8932	0.223	5	102.8511	2.629	74	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6a]	3:4:4:4:	4:3:4:3:	4:3:3:	C[5,6a]-3:C[5,5,6]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:N[5]-3:C[6]-4:N[5]-3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[6]N[5]2)(C[5]C[5]HH)(C[6]C[6]HH)	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(N[5]C[5,6a]C)(C[6]C[6]HH)(N[5]C[5]C)	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[6]N[5]2)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|O<2>,4|C<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(N[5]C[5,6a]C)(C[6]C[6]HH)(N[5]C[5]C){1|C<4>,2|C<3>,8|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,6|H<1>}	102.5870	0.000	1	101.9570	0.794	2	101.9055	0.296	4	101.8932	0.223	5	102.8511	2.629	74	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6a]	3:4:4:4:	4:3:4:3:	4:3:3:	C[5,6a]-3:C[5,5,6]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:N[5]-3:C[6]-4:N[5]-3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[6]N[5]2)(C[5]C[5]HH)(C[6]C[6]HH)	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(N[5]C[5,6a]C)(C[6]C[6]HH)(N[5]C[5]C)	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[6]N[5]2)(C[5]C[5]HH)(C[6]C[6]HH){2|C<4>,4|C<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(N[5]C[5,6a]C)(C[6]C[6]HH)(N[5]C[5]C){1|C<4>,3|C<3>,7|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,4|C<4>,6|H<1>}	101.3270	0.000	1	101.9570	0.794	2	101.9055	0.296	4	101.8932	0.223	5	102.8511	2.629	74	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6a]	4:3:2:4:	4:3:2:4:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:N[5]-2:C[6]-4:	C[5,5,6]-4:C[5,6a]-3:O[5]-2:C[6]-4:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,6a]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a])(C[6]C[6]HH)	C[5,5,6](C[5,5,6]C[5,6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5,6a])(C[6]C[6]HH)	C[5,6a](C[5,5,6]C[5,5,6]C[6]N[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[5,6a]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a])(C[6]C[6]HH){4|H<1>,5|C<3>}	C[5,5,6](C[5,5,6]C[5,6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5,6a])(C[6]C[6]HH){4|H<1>,5|C<3>}	C[5,6a](C[5,5,6]C[5,5,6]C[6]N[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	102.6500	0.000	1	102.6500	0.000	1	102.6500	0.000	1	102.8680	0.095	2	102.8511	2.629	74	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6a]	4:3:2:4:	4:3:2:4:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:O[5]-2:C[6]-4:	C[5,5,6]-4:C[5,6a]-3:N[5]-2:C[6]-4:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5,6a])(C[6]C[6]HH)	C[5,5,6](C[5,5,6]C[5,6a]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a])(C[6]C[6]HH)	C[5,6a](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[5,6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5,6a])(C[6]C[6]HH){4|H<1>,5|C<3>}	C[5,5,6](C[5,5,6]C[5,6a]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a])(C[6]C[6]HH){4|H<1>,5|C<3>}	C[5,6a](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	103.0860	0.000	1	103.0860	0.000	1	103.0860	0.000	1	102.8680	0.095	2	102.8511	2.629	74	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6a]	4:3:2:4:	4:3:3:4:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:O[5]-2:C[6]-4:	C[5,5,6]-4:C[5,6a]-3:N[5]-3:C[6]-4:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5,6a])(C[6]C[6]HH)	C[5,5,6](C[5,5,6]C[5,6a]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]H)(C[6]C[6]HH)	C[5,6a](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[5,6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5,6a])(C[6]C[6]HH){1|C<4>,4|C<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,6a]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	101.8825	1.487	2	101.8825	2.211	2	102.6697	2.965	3	102.6697	2.965	3	102.8511	2.629	74	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6a]	4:3:2:4:	4:3:3:4:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:O[5]-2:C[6]-4:	C[5,5,6]-4:C[5,6a]-3:N[5]-3:C[6]-4:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5,6a])(C[6]C[6]HH)	C[5,5,6](C[5,5,6]C[5,6a]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]S)(C[6]N[6]HH)	C[5,6a](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[5,6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5,6a])(C[6]C[6]HH){1|N<3>,1|S<4>,4|H<1>,5|C<3>}	C[5,5,6](C[5,5,6]C[5,6a]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]S)(C[6]N[6]HH){2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|S<4>,2|C<4>,3|C<3>,4|H<1>}	104.2440	0.000	1	104.2440	0.000	1	102.6697	2.965	3	102.6697	2.965	3	102.8511	2.629	74	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6a]	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[5,6a,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[5,6a](C[5,5,6]C[5,5,6]C[6,6a]C[5,6])(C[5,6a,6a]C[6a,6a]C[5,6a])(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[5,6a](C[5,5,6]C[5,5,6]C[6,6a]C[5,6])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<4>,6|C<3>}	105.3140	0.000	1	105.3140	0.000	1	105.3140	0.000	1	105.3140	0.000	1	102.8511	2.629	74	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6a]	4:3:3:4:	4:3:2:4:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:N[5]-3:C[6]-4:	C[5,5,6]-4:C[5,6a]-3:O[5]-2:C[6]-4:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,6a]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]H)(C[6]C[6]HH)	C[5,5,6](C[5,5,6]C[5,6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5,6a])(C[6]C[6]HH)	C[5,6a](C[5,5,6]C[5,5,6]C[6]N[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	C[5,5,6](C[5,5,6]C[5,6a]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5,6a])(C[6]C[6]HH){1|C<4>,4|C<3>,6|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]C[6]N[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	99.4680	1.812	2	99.4680	3.282	2	99.7683	1.912	3	99.7683	1.912	3	102.8511	2.629	74	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6a]	4:3:3:4:	4:3:2:4:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:N[5]-3:C[6]-4:	C[5,5,6]-4:C[5,6a]-3:O[5]-2:C[6]-4:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,6a]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]S)(C[6]N[6]HH)	C[5,5,6](C[5,5,6]C[5,6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5,6a])(C[6]C[6]HH)	C[5,6a](C[5,5,6]C[5,5,6]C[6]N[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[5,6a]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]S)(C[6]N[6]HH){2|C<4>,3|H<1>,4|C<3>}	C[5,5,6](C[5,5,6]C[5,6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5,6a])(C[6]C[6]HH){1|N<3>,1|S<4>,4|H<1>,5|C<3>}	C[5,6a](C[5,5,6]C[5,5,6]C[6]N[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|S<4>,3|C<3>,4|H<1>}	100.3690	0.000	1	100.3690	0.000	1	99.7683	1.912	3	99.7683	1.912	3	102.8511	2.629	74	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6a]	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[5,6a,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[5,6a](C[5,5,6]C[5,5,6]C[6,6a]C[5,6])(C[5,6a,6a]C[6a,6a]C[5,6a])(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[5,6a](C[5,5,6]C[5,5,6]C[6,6a]C[5,6])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,7|C<3>}	102.0220	0.000	1	102.0220	0.000	1	102.0220	0.000	1	102.0220	0.000	1	102.8511	2.629	74	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6a]	4:3:3:4:	4:4:3:2:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[5,6a]-3:C[6]-4:	C[5,5,6]-4:C[6,6]-4:N[5]-3:O[5]-2:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[6,6]N[5]O[5])(C[5,6a]C[5,6a]C[6a])2(C[6]C[6]HH)	C[5,5,6](C[5,5,6]C[5,6a]2C[6])(C[6,6]N[6,6]C[6]H)(N[5]C[5,6a]H)(O[5]C[5,6a])	C[5,6a](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[6,6]N[5]O[5])(C[5,6a]C[5,6a]C[6a])2(C[6]C[6]HH){1|C<4>,1|N<3>,4|C<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,6a]2C[6])(C[6,6]N[6,6]C[6]H)(N[5]C[5,6a]H)(O[5]C[5,6a]){2|C<4>,4|H<1>,5|C<3>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	102.5140	0.000	1	102.5140	0.000	1	102.0920	0.356	2	102.0920	0.356	2	102.8511	2.629	74	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6a]	4:3:3:4:	4:4:3:2:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[5,6a]-3:C[6]-4:	C[5,5,6]-4:C[6,6]-4:N[5]-3:O[5]-2:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[6,6]N[5]O[5])(C[5,6a]C[5,6a]C[6a])2(C[6]C[6]HH)	C[5,5,6](C[5,5,6]C[5,6a]2C[6])(C[6,6]N[6,6]C[6]H)(N[5]C[5,6a]H)(O[5]C[5,6a])	C[5,6a](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[6,6]N[5]O[5])(C[5,6a]C[5,6a]C[6a])2(C[6]C[6]HH){1|C<4>,1|N<3>,4|C<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,6a]2C[6])(C[6,6]N[6,6]C[6]H)(N[5]C[5,6a]H)(O[5]C[5,6a]){2|C<4>,4|H<1>,5|C<3>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	101.6700	0.000	1	101.6700	0.000	1	102.0920	0.356	2	102.0920	0.356	2	102.8511	2.629	74	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6a]	4:3:4:1:	4:3:4:2:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:O-2:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]O)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(H)	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(OS)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]O)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(H){1|C<4>,4|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(OS){1|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	101.2360	0.000	1	101.2360	0.000	1	101.2360	0.000	1	101.2360	0.000	1	102.8511	2.629	74	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6a]	4:3:4:1:	4:4:3:2:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-3:C-2:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,6]C[5]C)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]H)(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[5,6a](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[5,6]C[5]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[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[5,6a](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<2>,4|H<1>,5|C<3>}	102.8770	0.000	1	102.8770	0.000	1	102.8770	0.000	1	102.8770	0.000	1	102.8511	2.629	74	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6a]	4:3:4:2:	4:3:4:1:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:O-2:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(OS)	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]O)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]O)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(OS){1|C<4>,4|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]O)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(H){1|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]O)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,5|H<1>}	101.3420	0.000	1	101.3420	0.000	1	101.3420	0.000	1	101.3420	0.000	1	102.8511	2.629	74	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6a]	4:3:4:3:	4:3:4:2:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[5]-4:C[6]-3:	C[5,5,6]-4:N[5]-3:C[6]-4:O[5]-2:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[6]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]H)	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(N[5]C[5,6a]C)(C[6]C[6]HN)(O[5]C[5])	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[6]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]H){1|C<4>,1|N<2>,3|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(N[5]C[5,6a]C)(C[6]C[6]HN)(O[5]C[5]){3|C<3>,7|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	103.3440	0.639	2	103.3440	0.409	2	103.3440	0.409	2	103.3440	0.409	2	102.8511	2.629	74	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6a]	4:3:4:4:	4:3:3:2:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:C-4:	C[5,5,6]-4:N[5]-3:C[6]-3:O[5]-2:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[6]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]C)(CCHH)	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C)(N[5]C[5,6a]H)(C[6]C[5,6]O)(O[5]C[5])	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[6]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]C)(CCHH){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C)(N[5]C[5,6a]H)(C[6]C[5,6]O)(O[5]C[5]){1|C<4>,1|N<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	98.4809	0.000	2	98.4809	0.000	2	98.4809	0.000	2	98.4809	0.000	2	102.8511	2.629	74	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6a]	4:3:4:4:	4:3:4:2:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[5]-4:C[6]-4:	C[5,5,6]-4:N[5]-3:C[6]-4:O[5]-2:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[6]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[6]C[6]HH)	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(N[5]C[5,6a]H)(C[6]N[6]CH)(O[5]C[5])	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[6]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(N[5]C[5,6a]H)(C[6]N[6]CH)(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	101.0010	0.000	1	101.0010	0.000	1	101.0010	0.000	1	101.0010	0.000	1	102.8511	2.629	74	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6a]	4:3:4:4:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:C-4:	C[5,5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]H)(CH3)	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6a]C[6]H)(C[5]C[6a]C[5])(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]H)(CH3){2|C<4>,2|H<1>,4|C<3>}	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6a]C[6]H)(C[5]C[6a]C[5])(H){1|N<3>,3|H<1>,5|C<3>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	102.3283	0.090	3	102.3283	0.008	3	102.3283	0.008	3	101.5373	0.756	6	102.8511	2.629	74	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6a]	4:3:4:4:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[5]-4:C[6]-4:	C[5,5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[6]C[6]HH)	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(C[5,6]C[5]N[6]C)(N[5]C[5,6a]H)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(C[5,6]C[5]N[6]C)(N[5]C[5,6a]H)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,7|H<1>}	100.7430	0.106	2	100.7463	0.006	3	100.7463	0.006	3	101.5373	0.756	6	102.8511	2.629	74	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6a]	4:3:4:4:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[5]-4:C[6]-4:	C[5,5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[6]C[6]HH)	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(C[5,6]C[5]N[6]C)(N[5]C[5,6a]H)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(C[5,6]C[5]N[6]C)(N[5]C[5,6a]H)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,7|H<1>}	100.7530	0.000	1	100.7463	0.006	3	100.7463	0.006	3	101.5373	0.756	6	102.8511	2.629	74	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6a]	4:3:4:4:	4:4:3:2:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:C[5]-4:	C[5,5,6]-4:C[6,6]-4:N[5]-3:O[5]-2:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[6,6]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]ClH)(C[5]C[5]HH)	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]N[6]H)(N[5]C[5,6a]C)(O[5]C[5])	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[6,6]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]ClH)(C[5]C[5]HH){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]N[6]H)(N[5]C[5,6a]C)(O[5]C[5]){1|Cl<1>,1|C<4>,3|C<3>,8|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	101.2710	0.000	1	101.2710	0.000	1	101.2710	0.000	1	101.2710	0.000	1	102.8511	2.629	74	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6a]	4:4:3:1:	4:4:2:1:	4:3:3:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5,6a])(H)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,2|C<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5,6a])(H){1|C<4>,2|C<3>,5|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	102.0430	0.000	1	102.0430	0.000	1	102.0430	0.000	1	102.0430	0.000	1	102.8511	2.629	74	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5,6]C[5,5]H)(C[5]C[5,6a]C)(H)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5,6]C[5,5]H)(C[5]C[5,6a]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){2|C<3>,3|C<4>,4|H<1>}	103.6400	0.000	1	103.8230	0.067	2	104.0046	0.444	8	103.7283	0.395	15	102.8511	2.629	74	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5,6]C[5,5]H)(C[5]C[5,6a]C)(H)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5,6]C[5,5]H)(C[5]C[5,6a]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){2|C<3>,3|C<4>,4|H<1>}	104.0060	0.000	1	103.8230	0.067	2	104.0046	0.444	8	103.7283	0.395	15	102.8511	2.629	74	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,6a]-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[5,6a]C[5,6a]C[6a])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]C)(H)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	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[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]C)(H){1|C<4>,2|C<3>,5|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){2|C<3>,3|C<4>,4|H<1>}	103.9097	0.277	3	103.9097	0.077	3	104.0046	0.444	8	103.7283	0.395	15	102.8511	2.629	74	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,6a]-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[5,6a]C[5,6a]C[6a])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]C[6])(H)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[5,6a]C[5,6a]C[6a])(H){1|C<4>,3|C<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]C[6])(H){2|C<4>,3|C<3>,5|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	104.1950	0.000	1	103.6385	0.619	2	104.0046	0.444	8	103.7283	0.395	15	102.8511	2.629	74	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,6a]-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[5,6a]C[5,6a]C[6a])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]C[6])(H)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[5,6a]C[5,6a]C[6a])(H){1|C<4>,3|C<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]C[6])(H){2|C<4>,3|C<3>,5|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	103.0820	0.000	1	103.6385	0.619	2	104.0046	0.444	8	103.7283	0.395	15	102.8511	2.629	74	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,6a]-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[5,6a]C[5,6a]C[6a])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]N)(H)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)	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[5,6a]C[5,6a]C[6a])(H){1|N<2>,1|O<2>,3|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]N)(H){3|C<3>,4|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O){1|N<2>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	105.3850	0.000	1	105.3850	0.000	1	104.0046	0.444	8	103.7283	0.395	15	102.8511	2.629	74	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]C[5,6a]C)(H)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,3|C<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]C[5,6a]C)(H){1|C<4>,2|C<3>,5|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|H<1>,4|C<4>}	103.4780	0.000	1	103.8400	0.262	2	103.4126	0.186	7	103.7283	0.395	15	102.8511	2.629	74	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]C[5,6a]C)(H)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){4|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]C[5,6a]C)(H){3|C<3>,4|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	104.2020	0.000	1	103.8400	0.262	2	103.4126	0.186	7	103.7283	0.395	15	102.8511	2.629	74	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]C[5,6a]S)(H)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|S<4>,2|C<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]C[5,6a]S)(H){1|C<4>,2|C<3>,5|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|S<4>,3|C<4>,4|H<1>}	103.7190	0.000	1	103.7190	0.000	1	103.4126	0.186	7	103.7283	0.395	15	102.8511	2.629	74	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]O[5,5]O[5,6]C)(C[5,6a]C[5,6a]C[6a])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]O[5,5]O[5,6]C)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,2|C<4>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H){1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	103.1223	0.139	4	103.1223	0.019	4	103.4126	0.186	7	103.7283	0.395	15	102.8511	2.629	74	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6a]	4:4:3:1:	4:4:3:4:	4:3:3:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]O)(CH3)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|O<1>,3|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]O)(CH3){3|C<3>,4|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	105.5130	0.443	2	105.5130	0.196	2	105.5130	0.196	2	104.4335	1.626	4	102.8511	2.629	74	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6a]	4:4:3:1:	4:4:3:4:	4:3:3:	C[5,5,6]-4:C[5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6a]-3:C-4:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6a]C[6,6a]H)(C[5,6a]C[5,6a]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[5,6a](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C)	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]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[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[5,6a](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C){2|C<4>,3|H<1>,5|C<3>}	103.3540	0.147	2	103.3540	0.022	2	103.3540	0.022	2	104.4335	1.626	4	102.8511	2.629	74	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,6]C[5,6a]C[6]2)(H)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[5,6]O[6a])(C[6a]C[6a,6a]O)	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,6]C[5,6a]C[6]2)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[5,6]O[6a])(C[6a]C[6a,6a]O){2|H<1>,3|C<3>,4|C<4>}	104.3420	0.000	1	104.3420	0.000	1	104.3420	0.000	1	104.1649	0.930	12	102.8511	2.629	74	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5,6a]H)(C[5]C[5,6a]CH)(H)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]O[6a]C[5])(C[6a]C[6a,6a]O)	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5,6a]H)(C[5]C[5,6a]CH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]O[6a]C[5])(C[6a]C[6a,6a]O){3|C<3>,3|C<4>,3|H<1>}	103.9952	1.110	8	103.9952	1.233	8	104.1488	1.019	11	104.1649	0.930	12	102.8511	2.629	74	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,6a]-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[5,6a]C[5,6a]C[6a])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]HO)(H)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]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[5,6a]C[5,6a]C[6a])(H){1|O<2>,3|C<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]HO)(H){3|C<3>,4|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){2|C<3>,2|C<4>,3|H<1>,3|O<2>}	104.9390	0.017	2	104.9390	0.000	2	104.1488	1.019	11	104.1649	0.930	12	102.8511	2.629	74	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[5,5,6]-4:C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,6a]-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[5,6a]C[5,6a]C[6a])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]HO)(H)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]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[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]HO)(H){1|C<4>,2|C<3>,5|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	103.7970	0.000	1	103.7970	0.000	1	104.1488	1.019	11	104.1649	0.930	12	102.8511	2.629	74	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6a]	4:4:3:4:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[5,6]-4:C[5,6a]-3:C-4:	C[5,5,6]-4:C[5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]H)(C[5,6]C[5,6a]C[6,6a]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[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[5,6a](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C)	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]H)(C[5,6]C[5,6a]C[6,6a]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|C<4>,1|H<1>,6|C<3>}	C[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[5,6a](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C){1|C<4>,4|H<1>,5|C<3>}	102.3340	0.264	2	102.3340	0.070	2	102.3340	0.070	2	102.3340	0.070	2	102.8511	2.629	74	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[5,5a,6]	3:4:2:4:	4:4:2:1:	3:4:2:	C[5,5a,6]-3:C[5,5]-4:O[5,6]-2:C-4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	N[5,5a,6]-3:C[5,5,6]-4:N[5a]-2:	C[5,5,6](C[5,5a,6]N[5,5a,6]N[5a])(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(CHHO)	C[5,5](C[5,5,6]C[5,5a,6]O[5,6]C)(C[5,5,6]N[5,5a,6]C[5,6]H)(OH)(H)	C[5,5a,6](N[5,5a,6]C[5,5,6]N[5a])(C[5,5,6]C[5,5]O[5,6]C)(N[5a]N[5a])	C[5,5,6](C[5,5a,6]N[5,5a,6]N[5a])(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(CHHO){1|N<3>,2|H<1>,2|N<2>}	C[5,5](C[5,5,6]C[5,5a,6]O[5,6]C)(C[5,5,6]N[5,5a,6]C[5,6]H)(OH)(H){1|H<1>,1|N<3>,2|N<2>}	C[5,5a,6](N[5,5a,6]C[5,5,6]N[5a])(C[5,5,6]C[5,5]O[5,6]C)(N[5a]N[5a]){1|C<4>,1|O<2>,2|H<1>}	98.7966	0.000	1	98.7966	0.000	1	98.7966	0.000	1	98.7966	0.000	1	99.0711	1.875	34	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[5,5a,6]	3:4:2:4:	4:4:2:1:	3:4:3:	C[5,5a,6]-3:C[5,5]-4:O[5,6]-2:C-4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	N[5,5a,6]-3:C[5,5,6]-4:C[5a]-3:	C[5,5,6](C[5,5a,6]N[5,5a,6]C[5a])(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(CHHO)	C[5,5](C[5,5,6]C[5,5a,6]O[5,6]C)(C[5,5,6]N[5,5a,6]C[5,6]H)(OH)(H)	C[5,5a,6](N[5,5a,6]C[5,5,6]N[5a])(C[5,5,6]C[5,5]O[5,6]C)(C[5a]N[5a]H)	C[5,5,6](C[5,5a,6]N[5,5a,6]C[5a])(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(CHHO){1|N<3>,2|N<2>,3|H<1>}	C[5,5](C[5,5,6]C[5,5a,6]O[5,6]C)(C[5,5,6]N[5,5a,6]C[5,6]H)(OH)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,5a,6](N[5,5a,6]C[5,5,6]N[5a])(C[5,5,6]C[5,5]O[5,6]C)(C[5a]N[5a]H){1|C<4>,1|O<2>,2|H<1>}	99.9538	0.000	1	99.9538	0.000	1	99.9538	0.000	1	99.9538	0.000	1	99.0711	1.875	34	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[5,5a,6]	3:4:3:1:	4:4:2:1:	3:4:3:	C[5,5a,6]-3:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5a,6]-3:C[5,5,6]-4:C[5a]-3:	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,5a,6]C[5,6]H)2(OC)(H)	C[5,5a,6](C[5,5a,6]C[5,5,6]C[5a])(C[5,5,6]C[5,5]C[5,6]H)(C[5a]N[5a]C)	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,5](C[5,5,6]C[5,5a,6]C[5,6]H)2(OC)(H){2|C<3>,2|H<1>}	C[5,5a,6](C[5,5a,6]C[5,5,6]C[5a])(C[5,5,6]C[5,5]C[5,6]H)(C[5a]N[5a]C){1|C<3>,1|O<2>,5|H<1>}	98.4894	0.000	1	98.4894	0.000	1	98.2023	0.062	4	98.2023	0.062	4	99.0711	1.875	34	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[5,5a,6]	3:4:3:1:	4:4:2:1:	3:4:3:	C[5,5a,6]-3:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5a,6]-3:C[5,5,6]-4:C[5a]-3:	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,5a,6]C[5,6]H)2(OC)(H)	C[5,5a,6](C[5,5a,6]C[5,5,6]C[5a])(C[5,5,6]C[5,5]C[5,6]H)(C[5a]N[5a]H)	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]H)(H){1|C<3>,1|N<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,5a,6]C[5,6]H)2(OC)(H){2|C<3>,2|H<1>}	C[5,5a,6](C[5,5a,6]C[5,5,6]C[5a])(C[5,5,6]C[5,5]C[5,6]H)(C[5a]N[5a]H){1|O<2>,2|C<3>,4|H<1>}	98.2589	0.000	1	98.2589	0.000	1	98.2023	0.062	4	98.2023	0.062	4	99.0711	1.875	34	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[5,5a,6]	3:4:3:1:	4:4:2:1:	3:4:3:	C[5,5a,6]-3:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5a,6]-3:C[5,5,6]-4:C[5a]-3:	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,5a,6]C[5,6]H)2(OH)(H)	C[5,5a,6](C[5,5a,6]C[5,5,6]C[5a])(C[5,5,6]C[5,5]C[5,6]H)(C[5a]N[5a]C)	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,5](C[5,5,6]C[5,5a,6]C[5,6]H)2(OH)(H){2|C<3>,2|H<1>}	C[5,5a,6](C[5,5a,6]C[5,5,6]C[5a])(C[5,5,6]C[5,5]C[5,6]H)(C[5a]N[5a]C){1|C<3>,1|O<2>,5|H<1>}	97.8876	0.000	1	97.8876	0.000	1	98.2023	0.062	4	98.2023	0.062	4	99.0711	1.875	34	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[5,5a,6]	3:4:3:1:	4:4:2:1:	3:4:3:	C[5,5a,6]-3:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[5,5a,6]-3:C[5,5,6]-4:C[5a]-3:	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,5a,6]C[5,6]H)2(OH)(H)	C[5,5a,6](C[5,5a,6]C[5,5,6]C[5a])(C[5,5,6]C[5,5]C[5,6]H)(C[5a]N[5a]H)	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]H)(H){1|C<3>,1|N<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,5a,6]C[5,6]H)2(OH)(H){2|C<3>,2|H<1>}	C[5,5a,6](C[5,5a,6]C[5,5,6]C[5a])(C[5,5,6]C[5,5]C[5,6]H)(C[5a]N[5a]H){1|O<2>,2|C<3>,4|H<1>}	98.1733	0.000	1	98.1733	0.000	1	98.2023	0.062	4	98.2023	0.062	4	99.0711	1.875	34	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[5,5a,6]	3:4:4:1:	4:4:1:1:	3:4:3:	C[5,5a,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5a,6]-3:C[5,5,6]-4:C[5a]-3:	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	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[5,5a,6](C[5,5a,6]C[5,5,6]C[5a])(C[5,5,6]C[5,5]C[5,6]H)(C[5a]N[5a]H)	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|N<3>,2|H<1>,3|C<3>}	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[5,5a,6](C[5,5a,6]C[5,5,6]C[5a])(C[5,5,6]C[5,5]C[5,6]H)(C[5a]N[5a]H){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	99.5237	0.000	1	99.5237	0.000	1	99.5237	0.000	1	99.5237	0.000	1	99.0711	1.875	34	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[5,5a,6]	3:4:4:1:	4:4:1:1:	4:3:3:	C[5,5a,6]-3:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,5a,6]-3:C[5a]-3:	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5a,6]C[5,5,6]H)2(H)2	C[5,5a,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5a,6]C[5,5,6]C[5a])(C[5a]N[5a]H)	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){1|O<1>,2|C<3>,2|N<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,5a,6]C[5,5,6]H)2(H)2{2|H<1>,4|C<3>}	C[5,5a,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5a,6]C[5,5,6]C[5a])(C[5a]N[5a]H){1|C<3>,1|C<4>,6|H<1>}	99.3610	0.339	2	99.3610	0.115	2	99.3610	0.115	2	99.3610	0.115	2	99.0711	1.875	34	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[5,5a,6]	3:4:4:1:	4:4:4:4:	3:4:3:	C[5,5a,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5a,6]-3:C[5,5,6]-4:C[5a]-3:	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5a,6]C[5,6]C)(C[5,5,6]C[5,5a,6]C[5,6]H)(CH3)2	C[5,5a,6](C[5,5a,6]C[5,5,6]N[5a])(C[5,5,6]C[5,5]C[5,6]H)(C[5a]N[5a]C[6])	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(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>,1|N<3>,2|H<1>}	C[5,5](C[5,5,6]C[5,5a,6]C[5,6]C)(C[5,5,6]C[5,5a,6]C[5,6]H)(CH3)2{1|C<3>,1|N<2>,4|H<1>}	C[5,5a,6](C[5,5a,6]C[5,5,6]N[5a])(C[5,5,6]C[5,5]C[5,6]H)(C[5a]N[5a]C[6]){1|Pt<4>,1|C<3>,1|N<3>,2|H<1>,4|C<4>}	100.3173	0.377	4	100.3173	0.142	4	100.1823	2.603	12	100.1823	2.603	12	99.0711	1.875	34	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[5,5a,6]	3:4:4:1:	4:4:4:4:	3:4:3:	C[5,5a,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5a,6]-3:C[5,5,6]-4:C[5a]-3:	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5a,6]C[5,6]C)(C[5,5,6]C[5,5a,6]C[5,6]H)(CH3)2	C[5,5a,6](C[5,5a,6]C[5,5,6]N[5a])(C[5,5,6]C[5,5]C[5,6]H)(C[5a]N[5a]H)	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,5a,6]C[5,6]C)(C[5,5,6]C[5,5a,6]C[5,6]H)(CH3)2{1|C<3>,1|N<2>,4|H<1>}	C[5,5a,6](C[5,5a,6]C[5,5,6]N[5a])(C[5,5,6]C[5,5]C[5,6]H)(C[5a]N[5a]H){1|C<3>,2|H<1>,4|C<4>}	100.3854	2.295	6	100.1148	4.014	8	100.1823	2.603	12	100.1823	2.603	12	99.0711	1.875	34	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[5,5a,6]	3:4:4:1:	4:4:4:4:	3:4:3:	C[5,5a,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5a,6]-3:C[5,5,6]-4:C[5a]-3:	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5a,6]C[5,6]C)(C[5,5,6]C[5,5a,6]C[5,6]H)(CH3)2	C[5,5a,6](C[5,5a,6]C[5,5,6]N[5a])(C[5,5,6]C[5,5]C[5,6]H)(C[5a]N[5a]H)	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,5a,6]C[5,6]C)(C[5,5,6]C[5,5a,6]C[5,6]H)(CH3)2{1|C<3>,1|N<2>,4|H<1>}	C[5,5a,6](C[5,5a,6]C[5,5,6]N[5a])(C[5,5,6]C[5,5]C[5,6]H)(C[5a]N[5a]H){2|H<1>,5|C<4>}	99.3031	0.026	2	100.1148	4.014	8	100.1823	2.603	12	100.1823	2.603	12	99.0711	1.875	34	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[5,5a,6]	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[5,5a,6]-3:C[5a]-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[5,5a,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,5a,6]C[5,5,6]C[5a])(C[5a]N[5a]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){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[5,5a,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,5a,6]C[5,5,6]C[5a])(C[5a]N[5a]H){1|C<4>,1|S<4>,3|C<3>,5|H<1>}	98.5120	0.000	1	98.5120	0.000	1	98.5120	0.000	1	98.5120	0.000	1	99.0711	1.875	34	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[5,5a,6]	3:4:4:4:	4:4:4:4:	3:4:2:	C[5,5a,6]-3:C[5,5]-4:C[5,6]-4:C-4:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5a,6]-3:C[5,5,6]-4:N[5a]-2:	C[5,5,6](C[5,5a,6]C[5,5a,6]N[5a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	C[5,5](C[5,5,6]C[5,5a,6]C[5,6]C)(C[5,5,6]C[5,5a,6]C[5,6]H)(CH3)2	C[5,5a,6](C[5,5a,6]C[5,5,6]C[5a])(C[5,5,6]C[5,5]C[5,6]C)(N[5a]N[5a])	C[5,5,6](C[5,5a,6]C[5,5a,6]N[5a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|C<3>,1|N<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,5a,6]C[5,6]C)(C[5,5,6]C[5,5a,6]C[5,6]H)(CH3)2{1|C<3>,1|N<2>,4|H<1>}	C[5,5a,6](C[5,5a,6]C[5,5,6]C[5a])(C[5,5,6]C[5,5]C[5,6]C)(N[5a]N[5a]){1|C<3>,3|C<4>,4|H<1>}	98.1103	0.637	6	98.1595	0.328	12	98.1595	0.328	12	98.1595	0.328	12	99.0711	1.875	34	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[5,5a,6]	3:4:4:4:	4:4:4:4:	3:4:2:	C[5,5a,6]-3:C[5,5]-4:C[5,6]-4:C-4:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5a,6]-3:C[5,5,6]-4:N[5a]-2:	C[5,5,6](C[5,5a,6]C[5,5a,6]N[5a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	C[5,5](C[5,5,6]C[5,5a,6]C[5,6]C)(C[5,5,6]C[5,5a,6]C[5,6]H)(CH3)2	C[5,5a,6](C[5,5a,6]C[5,5,6]C[5a])(C[5,5,6]C[5,5]C[5,6]C)(N[5a]N[5a])	C[5,5,6](C[5,5a,6]C[5,5a,6]N[5a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|C<3>,1|N<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,5a,6]C[5,6]C)(C[5,5,6]C[5,5a,6]C[5,6]H)(CH3)2{1|C<3>,1|N<2>,4|H<1>}	C[5,5a,6](C[5,5a,6]C[5,5,6]C[5a])(C[5,5,6]C[5,5]C[5,6]C)(N[5a]N[5a]){1|Pt<4>,1|C<3>,3|C<4>,3|H<1>}	98.3807	0.631	4	98.1595	0.328	12	98.1595	0.328	12	98.1595	0.328	12	99.0711	1.875	34	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[5,5a,6]	3:4:4:4:	4:4:4:4:	3:4:2:	C[5,5a,6]-3:C[5,5]-4:C[5,6]-4:C-4:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,5a,6]-3:C[5,5,6]-4:N[5a]-2:	C[5,5,6](C[5,5a,6]C[5,5a,6]N[5a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	C[5,5](C[5,5,6]C[5,5a,6]C[5,6]C)(C[5,5,6]C[5,5a,6]C[5,6]H)(CH3)2	C[5,5a,6](C[5,5a,6]C[5,5,6]C[5a])(C[5,5,6]C[5,5]C[5,6]C)(N[5a]N[5a])	C[5,5,6](C[5,5a,6]C[5,5a,6]N[5a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|C<3>,1|N<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,5a,6]C[5,6]C)(C[5,5,6]C[5,5a,6]C[5,6]H)(CH3)2{1|C<3>,1|N<2>,4|H<1>}	C[5,5a,6](C[5,5a,6]C[5,5,6]C[5a])(C[5,5,6]C[5,5]C[5,6]C)(N[5a]N[5a]){4|C<4>,4|H<1>}	97.8647	0.013	2	98.1595	0.328	12	98.1595	0.328	12	98.1595	0.328	12	99.0711	1.875	34	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[5,6,6a]	3:3:4:1:	4:4:1:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,6,6a]C[5,6,6a]2)(C[5,5]C[5,5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6,6a]2H)2(H)2	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(C[5,5,6]C[5,6,6a]C[5,5]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,6,6a]C[5,6,6a]2)(C[5,5]C[5,5,6]HH)(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5,5](C[5,5,6]C[5,6,6a]2H)2(H)2{2|C<3>,2|N<2>}	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(C[5,5,6]C[5,6,6a]C[5,5]H){1|N<2>,3|C<3>,3|C<4>,4|H<1>}	99.1090	0.524	6	99.1090	0.275	6	99.1090	0.275	6	99.1090	0.275	6	99.8442	0.876	167	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[5,6,6a]	3:3:4:1:	4:4:1:1:	3:4:3:	C[5,6,6a]-3:C[5,6]-3:C[5,5]-4:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6a])(C[5,5]C[5,5,6,6]HH)(H)	C[5,5](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[6])(C[5,5,6]C[5,6,6a]C[5,6]H)(H)2	C[5,6,6a](C[5,6,6a]C[5,5,6,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6a])(C[5,5]C[5,5,6,6]HH)(H){1|H<1>,6|C<3>}	C[5,5](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[6])(C[5,5,6]C[5,6,6a]C[5,6]H)(H)2{1|H<1>,5|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H){4|C<3>,4|H<1>}	99.5429	0.000	1	99.5429	0.000	1	99.5429	0.000	1	99.5429	0.000	1	99.8442	0.876	167	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[5,6,6a]	3:3:4:1:	4:4:1:1:	4:3:2:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6,6a]-3:N[6a]-2:	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,6,6a]C[5,6,6a]2)(C[5,5]C[5,5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6,6a]2H)2(H)2	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6a]C[5,5,6]N[6a])(N[6a]C[6a,6a])	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,6,6a]C[5,6,6a]2)(C[5,5]C[5,5,6]HH)(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5,5](C[5,5,6]C[5,6,6a]2H)2(H)2{2|C<3>,2|N<2>}	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6a]C[5,5,6]N[6a])(N[6a]C[6a,6a]){3|H<1>,4|C<3>}	98.7527	0.210	5	98.7527	0.044	5	98.7527	0.044	5	98.7527	0.044	5	99.8442	0.876	167	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[5,6,6a]	3:3:4:1:	4:4:1:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(C[5,5]C[5,5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6,6a]2H)2(H)2	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a,6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(C[5,5]C[5,5,6]HH)(H){1|O<2>,2|H<1>,4|C<3>}	C[5,5](C[5,5,6]C[5,6,6a]2H)2(H)2{4|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a,6a]H){4|C<3>,4|H<1>}	99.2258	0.212	4	99.2258	0.045	4	98.9869	0.088	8	98.9869	0.088	8	99.8442	0.876	167	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[5,6,6a]	3:3:4:1:	4:4:1:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(C[5,5]C[5,5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6,6a]2H)2(H)2	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(C[5,5]C[5,5,6]HH)(H){1|O<2>,2|H<1>,4|C<3>}	C[5,5](C[5,5,6]C[5,6,6a]2H)2(H)2{4|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O){1|O<2>,3|C<3>,4|H<1>}	98.7479	0.085	4	98.7479	0.007	4	98.9869	0.088	8	98.9869	0.088	8	99.8442	0.876	167	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[5,6,6a]	3:4:3:1:	4:4:1:1:	3:4:2:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:N[6a]-2:	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]H)(N[6a]C[6a,6a])	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2{2|C<4>,2|N<2>}	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]H)(N[6a]C[6a,6a]){1|C<4>,3|C<3>,3|H<1>}	98.9123	0.000	1	98.9123	0.000	1	98.9123	0.000	1	98.9123	0.000	1	99.8442	0.876	167	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[5,6,6a]	3:4:3:1:	4:4:1:1:	3:4:3:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]2)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){2|H<1>,3|C<3>}	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2{2|C<3>,2|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]2){5|C<3>,5|H<1>}	98.9183	0.541	6	98.9183	0.293	6	98.6728	0.572	8	98.6728	0.572	8	99.8442	0.876	167	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[5,6,6a]	3:4:3:1:	4:4:1:1:	3:4:3:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]O)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2{2|C<3>,2|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]O){1|O<2>,1|S<2>,2|C<3>,4|H<1>}	97.9364	1.045	2	97.9364	1.092	2	98.6728	0.572	8	98.6728	0.572	8	99.8442	0.876	167	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[5,6,6a]	3:4:3:1:	4:4:1:1:	4:3:3:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-3:Cl-1:	C[5,5,6]-4:C[5,5,6]-4:Cl-1:Cl-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]Cl2)(C[5,6]C[5,6]Cl)(Cl)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]Cl)2(Cl)2	C[5,6,6a](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[5,6,6a]O)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]Cl2)(C[5,6]C[5,6]Cl)(Cl){2|Cl<1>,1|O<2>,2|C<3>}	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]Cl)2(Cl)2{2|Cl<1>,2|C<3>}	C[5,6,6a](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[5,6,6a]O){4|Cl<1>,1|C<4>,1|O<2>,2|C<3>}	99.2912	0.621	4	99.2912	0.385	4	99.2912	0.385	4	99.2912	0.385	4	99.8442	0.876	167	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[5,6,6a]	3:4:3:1:	4:4:3:3:	3:4:3:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:N[5a]-3:C-3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]N[5a]C)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(N[5a]C[5a]N[5a])(CCC)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]N[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]N[5a]C)(C[5,6]C[5,6]H)(H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(N[5a]C[5a]N[5a])(CCC){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]N[6a]H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	98.8175	0.258	2	98.8175	0.067	2	98.8175	0.067	2	98.8175	0.067	2	99.8442	0.876	167	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[5,6,6a]	3:4:4:1:	4:4:1:1:	3:4:3:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)2(H)2	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,5,6]C[5,5,6]C[5,5]H)(C[6a]N[6a]C)	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)(C[5,5]C[5,5,6]HH)(H){1|N<2>,4|C<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)2(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,5,6]C[5,5,6]C[5,5]H)(C[6a]N[6a]C){2|C<3>,2|C<4>,4|H<1>}	99.9365	0.000	1	99.9365	0.000	1	99.9365	0.000	1	100.1364	0.740	88	99.8442	0.876	167	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[5,6,6a]	3:4:4:1:	4:4:1:1:	3:4:3:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:Br-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]BrH)(C[5,6]C[5,6]BrH)(H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]Br)(C[5,5,6]C[5,6,6a]C[5,6]H)(Br)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]BrH)(C[5,6]C[5,6]BrH)(H){2|Br<1>,2|C<3>,2|H<1>}	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]Br)(C[5,5,6]C[5,6,6a]C[5,6]H)(Br)(H){2|Br<1>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H){3|Br<1>,1|C<3>,1|C<4>,4|H<1>}	98.1498	0.000	1	98.1498	0.000	1	98.1498	0.000	1	100.1364	0.740	88	99.8442	0.876	167	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[5,6,6a]	3:4:4:1:	4:4:1:1:	3:4:3:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]Br2)(H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]Br2)(H){1|Br<1>,2|C<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2{3|Br<1>,1|H<1>,2|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H){2|Br<1>,1|C<3>,1|C<4>,5|H<1>}	100.0660	0.000	1	100.0660	0.000	1	100.1618	0.710	86	100.1364	0.740	88	99.8442	0.876	167	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[5,6,6a]	3:4:4:1:	4:4:1:1:	3:4:3:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrH)(H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrH)(H){2|Br<1>,2|C<3>,2|H<1>}	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2{3|Br<1>,1|H<1>,2|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,6|H<1>}	100.7340	0.000	1	100.7340	0.000	1	100.1618	0.710	86	100.1364	0.740	88	99.8442	0.876	167	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[5,6,6a]	3:4:4:1:	4:4:1:1:	3:4:3:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]C)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2{2|C<3>,4|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]C){1|C<3>,2|C<4>,6|H<1>}	100.0050	1.377	16	100.0050	1.896	16	100.1618	0.710	86	100.1364	0.740	88	99.8442	0.876	167	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[5,6,6a]	3:4:4:1:	4:4:1:1:	3:4:3:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2{2|C<3>,4|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]H){1|C<3>,1|I<1>,2|C<4>,5|H<1>}	100.3070	0.123	4	100.3521	0.676	32	100.1618	0.710	86	100.1364	0.740	88	99.8442	0.876	167	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[5,6,6a]	3:4:4:1:	4:4:1:1:	3:4:3:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2{2|C<3>,4|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]H){1|C<3>,1|I<2>,2|C<4>,5|H<1>}	100.6680	0.674	4	100.3521	0.676	32	100.1618	0.710	86	100.1364	0.740	88	99.8442	0.876	167	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[5,6,6a]	3:4:4:1:	4:4:1:1:	3:4:3:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2{2|C<3>,4|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]H){1|C<3>,1|I<3>,2|C<4>,5|H<1>}	100.3045	0.268	2	100.3521	0.676	32	100.1618	0.710	86	100.1364	0.740	88	99.8442	0.876	167	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[5,6,6a]	3:4:4:1:	4:4:1:1:	3:4:3:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2{2|C<3>,4|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]H){1|C<3>,2|C<4>,6|H<1>}	100.3329	0.301	6	100.3521	0.676	32	100.1618	0.710	86	100.1364	0.740	88	99.8442	0.876	167	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[5,6,6a]	3:4:4:1:	4:4:1:1:	3:4:3:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2{2|C<3>,4|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]H){2|C<3>,2|C<4>,5|H<1>}	100.2975	1.112	16	100.3521	0.676	32	100.1618	0.710	86	100.1364	0.740	88	99.8442	0.876	167	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[5,6,6a]	3:4:4:1:	4:4:1:1:	3:4:3:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]I)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|I<1>,2|C<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2{2|C<3>,4|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]I){1|C<3>,2|C<4>,6|H<1>}	100.3261	0.234	4	99.8688	0.463	10	100.1618	0.710	86	100.1364	0.740	88	99.8442	0.876	167	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[5,6,6a]	3:4:4:1:	4:4:1:1:	3:4:3:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]I)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|I<2>,2|C<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2{2|C<3>,4|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]I){1|C<3>,2|C<4>,6|H<1>}	99.5526	0.932	4	99.8688	0.463	10	100.1618	0.710	86	100.1364	0.740	88	99.8442	0.876	167	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[5,6,6a]	3:4:4:1:	4:4:1:1:	3:4:3:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]I)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|I<3>,2|C<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2{2|C<3>,4|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]I){1|C<3>,2|C<4>,6|H<1>}	99.5866	0.062	2	99.8688	0.463	10	100.1618	0.710	86	100.1364	0.740	88	99.8442	0.876	167	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[5,6,6a]	3:4:4:1:	4:4:1:1:	3:4:3:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]O)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<2>,2|C<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2{2|C<3>,4|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]O){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	99.9931	0.319	17	99.9931	0.102	17	100.1618	0.710	86	100.1364	0.740	88	99.8442	0.876	167	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[5,6,6a]	3:4:4:1:	4:4:1:1:	3:4:3:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a,6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2{2|C<3>,4|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a,6a]H){1|C<4>,2|C<3>,6|H<1>}	100.6790	0.331	4	100.6790	0.109	4	100.1618	0.710	86	100.1364	0.740	88	99.8442	0.876	167	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[5,6,6a]	3:4:4:1:	4:4:1:1:	3:4:3:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<2>,2|C<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2{1|O<2>,2|C<3>,3|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,7|H<1>}	100.5950	0.000	1	100.5950	0.000	1	100.1618	0.710	86	100.1364	0.740	88	99.8442	0.876	167	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[5,6,6a]	3:4:4:1:	4:4:1:1:	3:4:3:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H){1|O<2>,2|C<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2{2|C<3>,2|H<1>,2|O<2>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	100.0117	0.157	2	100.0821	0.027	3	100.1618	0.710	86	100.1364	0.740	88	99.8442	0.876	167	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[5,6,6a]	3:4:4:1:	4:4:1:1:	3:4:3:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H){2|C<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2{1|O<2>,2|C<3>,3|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	100.2230	0.000	1	100.0821	0.027	3	100.1618	0.710	86	100.1364	0.740	88	99.8442	0.876	167	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[5,6,6a]	3:4:4:1:	4:4:1:1:	3:4:3:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PtH)(H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]O)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]PtH)(H){1|O<2>,1|O<3>,2|C<3>,2|H<1>}	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2{1|Pt<7>,1|O<3>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]O){1|Pt<7>,1|C<3>,1|C<5>,1|O<2>,5|H<1>}	99.6408	0.000	1	99.6408	0.000	1	100.1618	0.710	86	100.1364	0.740	88	99.8442	0.876	167	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[5,6,6a]	3:4:4:1:	4:4:1:1:	4:3:3:	C[5,6,6a]-3:C[4,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[4,5,6]C[4,5,6]C[4]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6,6a]C[4,5,6]H)2(H)2	C[5,6,6a](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[4,5,6]C[4,5,6]C[4]H)(C[5,5]C[5,5,6]HH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,5](C[5,5,6]C[5,6,6a]C[4,5,6]H)2(H)2{2|H<1>,4|C<3>}	C[5,6,6a](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	99.9198	0.000	1	99.6949	0.101	2	99.6949	0.101	2	99.9676	0.565	13	99.8442	0.876	167	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[5,6,6a]	3:4:4:1:	4:4:1:1:	4:3:3:	C[5,6,6a]-3:C[4,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[4,5,6]C[4,5,6]C[4]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6,6a]C[4,5,6]H)2(H)2	C[5,6,6a](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[4,5,6]C[4,5,6]C[4]H)(C[5,5]C[5,5,6]HH)(H){1|O<2>,2|H<1>,4|C<3>}	C[5,5](C[5,5,6]C[5,6,6a]C[4,5,6]H)2(H)2{2|H<1>,4|C<3>}	C[5,6,6a](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	99.4700	0.000	1	99.6949	0.101	2	99.6949	0.101	2	99.9676	0.565	13	99.8442	0.876	167	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[5,6,6a]	3:4:4:1:	4:4:1:1:	4:3:3:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5]-4:Cl-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,6]N[5]O[5])(C[5,5]C[5,5,6]HH)(Cl)	C[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,5,6]C[5,6,6a]C[5,6]Cl)(H)2	C[5,6,6a](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,6]N[5]O[5])(C[5,5]C[5,5,6]HH)(Cl){2|Cl<1>,1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,5,6]C[5,6,6a]C[5,6]Cl)(H)2{1|Cl<1>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6,6a](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|O<2>,3|H<1>}	100.4470	0.000	1	100.4470	0.000	1	100.4470	0.000	1	99.9676	0.565	13	99.8442	0.876	167	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[5,6,6a]	3:4:4:1:	4:4:1:1:	4:3:3:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a,6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)2(H)2	C[5,6,6a](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a,6a]C[6a,6a]C[6a])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){1|C<4>,3|H<1>,4|C<3>}	C[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)2(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6,6a](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|N<2>,4|C<3>,5|H<1>}	99.3852	0.000	1	99.3852	0.000	1	99.3852	0.000	1	99.9676	0.565	13	99.8442	0.876	167	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[5,6,6a]	3:4:4:1:	4:4:1:1:	4:3:3:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)2(H)2	C[5,6,6a](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a,6a]C[6a])	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)(C[5,5]C[5,5,6]HH)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)2(H)2{2|H<1>,4|C<3>}	C[5,6,6a](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a,6a]C[6a]){1|C<4>,4|H<1>,6|C<3>}	100.1095	0.254	4	100.1095	0.064	4	100.1137	0.253	7	99.9676	0.565	13	99.8442	0.876	167	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[5,6,6a]	3:4:4:1:	4:4:1:1:	4:3:3:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)2(H)2	C[5,6,6a](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)2(H)2{2|H<1>,4|C<3>}	C[5,6,6a](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,6|H<1>}	99.6587	0.233	2	99.6587	0.054	2	100.1137	0.253	7	99.9676	0.565	13	99.8442	0.876	167	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[5,6,6a]	3:4:4:1:	4:4:1:1:	4:3:3:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)2(H)2	C[5,6,6a](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)2(H)2{2|C<3>,2|H<1>,2|N<3>}	C[5,6,6a](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	101.0400	0.000	1	101.0400	0.000	1	100.1137	0.253	7	99.9676	0.565	13	99.8442	0.876	167	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[5,6,6a]	3:4:4:1:	4:4:1:1:	4:3:3:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:Br-1:	C[5,5,6]-4:C[5,5,6]-4:Br-1:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]BrH)(C[5,6]C[5,6]BrH)(Br)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]Br)(C[5,5,6]C[5,6,6a]C[5,6]H)(Br)(H)	C[5,6,6a](C[5,5,6]C[5,5]C[5,6]Br)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]BrH)(C[5,6]C[5,6]BrH)(Br){1|Br<1>,2|C<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]Br)(C[5,5,6]C[5,6,6a]C[5,6]H)(Br)(H){2|Br<1>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,5,6]C[5,5]C[5,6]Br)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|Br<1>,1|C<3>,1|C<4>,5|H<1>}	98.3268	0.000	1	98.3268	0.000	1	98.3268	0.000	1	99.9676	0.565	13	99.8442	0.876	167	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[5,6,6a]	3:4:4:1:	4:4:1:1:	4:3:3:	C[5,6,6a]-3:C[5,6]-4:C[5,5]-4:Cl-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,5,6]ClH)(C[5,5]C[5,5,6]HH)(Cl)	C[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,5,6]C[5,6,6a]C[5,6]Cl)(H)2	C[5,6,6a](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,5,6]ClH)(C[5,5]C[5,5,6]HH)(Cl){1|Cl<1>,1|N<3>,2|C<3>,2|O<2>}	C[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,5,6]C[5,6,6a]C[5,6]Cl)(H)2{1|Cl<1>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6,6a](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O){2|Cl<1>,1|C<3>,1|C<4>,1|O<2>,4|H<1>}	101.2340	0.000	1	101.2340	0.000	1	101.2340	0.000	1	99.9676	0.565	13	99.8442	0.876	167	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[5,6,6a]	3:4:4:1:	4:4:2:2:	4:3:2:	C[5,6,6a]-3:C[5,6,6]-4:C[5,5]-4:Cl-1:	C[5,5,6]-4:C[5,5,6]-4:O-2:O-2:	C[5,5,6]-4:C[5,6,6a]-3:N[6a]-2:	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]OO)(Cl)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6,6]Cl)2(OC)2	C[5,6,6a](C[5,5,6]C[5,6,6]C[5,5]Cl)(C[5,6,6a]C[5,5,6]N[6a])(N[6a]C[6a,6a])	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]OO)(Cl){1|Cl<1>,1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,6,6a]C[5,6,6]Cl)2(OC)2{2|C<4>,2|H<1>,2|N<2>}	C[5,6,6a](C[5,5,6]C[5,6,6]C[5,5]Cl)(C[5,6,6a]C[5,5,6]N[6a])(N[6a]C[6a,6a]){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>,2|O<2>}	99.9173	0.873	8	99.9173	0.762	8	99.9173	0.762	8	99.9173	0.762	8	99.8442	0.876	167	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[5,6,6a]	3:4:4:1:	4:4:3:1:	3:4:3:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(CC[6a]O)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H){2|C<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(CC[6a]O)(H){2|C<3>,4|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,6|H<1>}	99.8693	0.520	2	99.8693	0.270	2	99.8693	0.270	2	99.8693	0.270	2	99.8442	0.876	167	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[5,6,6a]	3:4:4:1:	4:4:4:4:	3:4:2:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,6,6a]-3:C[5,5,6]-4:N[6a]-2:	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)(C[5,5,6]C[5,6,6a]C[5,6]H)(CH3)2	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]H)(N[6a]C[5,6,6a])	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)(C[5,5,6]C[5,6,6a]C[5,6]H)(CH3)2{2|N<2>,4|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]H)(N[6a]C[5,6,6a]){1|C<3>,2|H<1>,5|C<4>}	100.3590	0.147	2	100.3590	0.022	2	100.1593	0.215	5	100.1593	0.215	5	99.8442	0.876	167	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[5,6,6a]	3:4:4:1:	4:4:4:4:	3:4:2:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,6,6a]-3:C[5,5,6]-4:N[6a]-2:	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)(C[5,5,6]C[5,6,6a]C[5,6]H)(CH3)2	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]H)(N[6a]C[6a,6a])	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)(C[5,5,6]C[5,6,6a]C[5,6]H)(CH3)2{2|N<2>,4|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]H)(N[6a]C[6a,6a]){2|C<3>,2|H<1>,4|C<4>}	100.0996	0.821	2	100.0996	0.674	2	100.1593	0.215	5	100.1593	0.215	5	99.8442	0.876	167	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[5,6,6a]	3:4:4:1:	4:4:4:4:	3:4:2:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,6,6a]-3:C[5,5,6]-4:N[6a]-2:	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)(C[5,5,6]C[5,6,6a]C[5,6]H)(CH3)2	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]H)(N[6a]C[6a])	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)(C[5,5,6]C[5,6,6a]C[5,6]H)(CH3)2{2|N<2>,4|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]H)(N[6a]C[6a]){1|C<3>,3|H<1>,4|C<4>}	99.8792	0.000	1	99.8792	0.000	1	100.1593	0.215	5	100.1593	0.215	5	99.8442	0.876	167	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[5,6,6a]	3:4:4:1:	4:4:4:4:	3:4:3:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)(C[5,5,6]C[5,6,6a]C[5,6]H)(CH3)2	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]N[6a])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)(C[5,5,6]C[5,6,6a]C[5,6]H)(CH3)2{1|C<3>,1|N<2>,4|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]N[6a]){2|H<1>,3|C<3>,4|C<4>}	101.0580	0.000	1	101.0580	0.000	1	101.0580	0.000	1	101.0580	0.000	1	99.8442	0.876	167	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[5,6,6a]	3:4:4:4:	4:4:4:1:	3:4:3:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:C-4:	C[3x5,6]-4:C[5,5,6]-4:C-4:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[3x5,6]CH)(C[5,6]N[5,5,6]CH)(CH3)	C[5,5](C[3x5,6]C[5,6,6a]N[5,5,6]C[5,6a])(C[5,5,6]C[5,6,6a]C[5,6]C)(CH3)(H)	C[5,6,6a](C[5,6,6a]C[3x5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]C)(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[3x5,6]CH)(C[5,6]N[5,5,6]CH)(CH3){1|H<1>,1|S<4>,3|C<3>}	C[5,5](C[3x5,6]C[5,6,6a]N[5,5,6]C[5,6a])(C[5,5,6]C[5,6,6a]C[5,6]C)(CH3)(H){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	C[5,6,6a](C[5,6,6a]C[3x5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	100.3960	0.000	1	100.3960	0.000	1	100.3960	0.000	1	100.3960	0.000	1	99.8442	0.876	167	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[5,6,6a]	3:4:4:4:	4:4:4:4:	3:4:2:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:C-4:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,6,6a]-3:C[5,5,6]-4:N[6a]-2:	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)(C[5,5,6]C[5,6,6a]C[5,6]H)(CH3)2	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]C)(N[6a]C[6a])	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){2|C<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)(C[5,5,6]C[5,6,6a]C[5,6]H)(CH3)2{1|C<3>,1|N<2>,4|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]C)(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,3|C<4>,3|H<1>}	99.8827	0.000	1	99.8827	0.000	1	99.4997	0.197	6	99.4997	0.197	6	99.8442	0.876	167	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[5,6,6a]	3:4:4:4:	4:4:4:4:	3:4:2:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:C-4:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,6,6a]-3:C[5,5,6]-4:N[6a]-2:	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)(C[5,5,6]C[5,6,6a]C[5,6]H)(CH3)2	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]C)(N[6a]C[5,6,6a])	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|C<3>,1|N<2>,3|H<1>}	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)(C[5,5,6]C[5,6,6a]C[5,6]H)(CH3)2{2|N<2>,4|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]C)(N[6a]C[5,6,6a]){1|C<3>,3|H<1>,4|C<4>}	99.6533	0.540	2	99.6533	0.291	2	99.4997	0.197	6	99.4997	0.197	6	99.8442	0.876	167	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[5,6,6a]	3:4:4:4:	4:4:4:4:	3:4:2:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:C-4:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,6,6a]-3:C[5,5,6]-4:N[6a]-2:	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)(C[5,5,6]C[5,6,6a]C[5,6]H)(CH3)2	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]C)(N[6a]C[6a,6a])	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|C<3>,1|N<2>,3|H<1>}	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)(C[5,5,6]C[5,6,6a]C[5,6]H)(CH3)2{2|N<2>,4|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]C)(N[6a]C[6a,6a]){2|C<3>,3|C<4>,3|H<1>}	99.5062	0.065	2	99.5062	0.004	2	99.4997	0.197	6	99.4997	0.197	6	99.8442	0.876	167	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[5,6,6a]	3:4:4:4:	4:4:4:4:	3:4:2:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:C-4:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C[5,6,6a]-3:C[5,5,6]-4:N[6a]-2:	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)(C[5,5,6]C[5,6,6a]C[5,6]H)(CH3)2	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]C)(N[6a]C[6a])	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|C<3>,1|N<2>,3|H<1>}	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)(C[5,5,6]C[5,6,6a]C[5,6]H)(CH3)2{2|N<2>,4|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]C)(N[6a]C[6a]){1|C<3>,3|C<4>,4|H<1>}	98.7963	0.000	1	98.7963	0.000	1	99.4997	0.197	6	99.4997	0.197	6	99.8442	0.876	167	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[5,6,6a]	3:5:4:1:	4:4:1:1:	3:4:3:	C[5,6,6a]-3:C[5,6]-5:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]PtHO)(C[5,5]C[5,5,6]HH)(H)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]O)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]PtHO)(C[5,5]C[5,5,6]HH)(H){1|O<2>,2|C<3>,2|H<1>}	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(H)2{1|Pt<7>,1|O<3>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]O){1|Pt<7>,1|C<3>,1|C<4>,1|O<2>,1|O<3>,5|H<1>}	99.5965	0.000	1	99.5965	0.000	1	99.5965	0.000	1	99.5965	0.000	1	99.8442	0.876	167	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[5,6,6a]	4:3:4:1:	4:3:2:2:	3:3:4:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,6a]-3:O[5]-2:O-2:	C[5a,6,6a]-3:C[5,6a,6a]-3:C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,6,6a]C[5,5,6]N[6])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,5]C[5,6a]O[5]O)(H)	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6,6a]H)(C[5,6a]C[5,6a,6a]C[5a,6a])(O[5]C[5,5,6])(OH)	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5a,6a,6a]C[5,6a])(C[5,5,6]C[5,5,6,6]C[5,5]H)	C[5,5,6](C[5,5,6,6]C[5,6,6a]C[5,5,6]N[6])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,5]C[5,6a]O[5]O)(H){1|H<1>,1|N<3>,7|C<3>}	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6,6a]H)(C[5,6a]C[5,6a,6a]C[5a,6a])(O[5]C[5,5,6])(OH){2|N<3>,6|C<3>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5a,6a,6a]C[5,6a])(C[5,5,6]C[5,5,6,6]C[5,5]H){1|C<4>,1|N<3>,2|O<2>,6|C<3>}	103.0590	0.000	1	103.0590	0.000	1	103.0590	0.000	1	103.0590	0.000	1	99.8442	0.876	167	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[5,6,6a]	4:3:4:1:	4:4:1:1:	4:3:3:	C[5,5,3x6]-4:C[5,6,6a]-3:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]2)(C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,3x6]C[5,6,6a]C)(C[5,5,6]C[5,5,3x6]C[5,6,6a]H)(H)2	C[5,6,6a](C[5,5,6]C[5,5,3x6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]2)(C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(H){1|C<4>,1|H<1>,8|C<3>}	C[5,5](C[5,5,6]C[5,5,3x6]C[5,6,6a]C)(C[5,5,6]C[5,5,3x6]C[5,6,6a]H)(H)2{6|C<3>}	C[5,6,6a](C[5,5,6]C[5,5,3x6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	101.0450	0.540	2	101.0450	0.292	2	101.0450	0.292	2	99.6875	2.590	4	99.8442	0.876	167	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[5,6,6a]	4:3:4:1:	4:4:1:1:	4:3:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(H)	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6,6a]H)2(H)2	C[5,6,6a](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]Cl)	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])(C[5,5]C[5,5,6]HH)(H){2|Cl<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6,6a]H)2(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]Cl){2|Cl<1>,1|C<3>,2|C<4>,4|H<1>}	98.3300	0.325	2	98.3300	0.106	2	98.3300	0.106	2	99.6875	2.590	4	99.8442	0.876	167	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[5,6,6a]	4:3:4:4:	4:4:1:1:	4:3:3:	C[5,5,3x6]-4:C[5,6,6a]-3:C[5,5]-4:C-4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(CCHH)	C[5,5](C[5,5,6]C[5,5,3x6]C[5,6,6a]C)(C[5,5,6]C[5,5,3x6]C[5,6,6a]H)(H)2	C[5,6,6a](C[5,5,6]C[5,5,3x6]C[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(CCHH){1|C<4>,2|H<1>,7|C<3>}	C[5,5](C[5,5,6]C[5,5,3x6]C[5,6,6a]C)(C[5,5,6]C[5,5,3x6]C[5,6,6a]H)(H)2{6|C<3>}	C[5,6,6a](C[5,5,6]C[5,5,3x6]C[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	99.8606	0.031	2	99.8606	0.001	2	99.8606	0.001	2	99.8606	0.001	2	99.8442	0.876	167	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[5,6a]	3:3:4:4:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5,6]-3:C[5,5]-4:C[6]-4:	C[5,5,6]-4:N[5]-3:N[5]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[5,5]N[5]2H)(C[6]C[6]HH)	C[5,5](C[5,5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(N[5]C[5]S)(H)	C[5,6a](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[5,5]N[5]2H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|S<4>,2|C<3>,6|H<1>}	C[5,5](C[5,5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(N[5]C[5]S)(H){2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,5|H<1>}	101.9680	0.000	1	101.9680	0.000	1	101.9680	0.000	1	101.9680	0.000	1	100.7312	0.640	7	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[5,6a]	3:4:3:4:	4:3:2:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5,6]-3:C[6]-4:	C[5,5,6]-4:N[5]-3:O[5]-2:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)	C[5,5](C[5,5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]H)(O[5]C[5])(H)	C[5,6a](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]H)(O[5]C[5])(H){2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	101.3310	0.000	1	101.3310	0.000	1	101.3310	0.000	1	101.3310	0.000	1	100.7312	0.640	7	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[5,6a]	3:4:4:4:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,5,6]-4:N[5]-3:C[5]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6]H)(C[6]C[5a]C[6]H)	C[5,5](C[5,5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(C[5]C[5]H)(H)	C[5,6a](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6]H)(C[6]C[5a]C[6]H){1|C<4>,1|N<3>,4|C<3>,7|H<1>}	C[5,5](C[5,5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(C[5]C[5]H)(H){2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){3|C<4>,4|C<3>,5|H<1>}	100.2350	0.000	1	100.2350	0.000	1	100.1251	0.421	3	100.2856	0.384	4	100.7312	0.640	7	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[5,6a]	3:4:4:4:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,5,6]-4:N[5]-3:C[5]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)	C[5,5](C[5,5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(C[5]C[5]H)(H)	C[5,6a](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H){1|C<4>,1|N<3>,4|C<3>,7|H<1>}	C[5,5](C[5,5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(C[5]C[5]H)(H){2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,3|C<4>,4|C<3>,4|H<1>}	100.7120	0.000	1	100.0701	0.824	2	100.1251	0.421	3	100.2856	0.384	4	100.7312	0.640	7	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[5,6a]	3:4:4:4:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,5,6]-4:N[5]-3:C[5]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)	C[5,5](C[5,5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(C[5]C[5]H)(H)	C[5,6a](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H){1|C<4>,1|N<3>,4|C<3>,7|H<1>}	C[5,5](C[5,5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(C[5]C[5]H)(H){2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|Cl<1>,3|C<4>,3|H<1>,4|C<3>}	99.4282	0.000	1	100.0701	0.824	2	100.1251	0.421	3	100.2856	0.384	4	100.7312	0.640	7	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[5,6a]	3:4:4:4:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5,5]-4:C[6]-4:	C[5,5,6]-4:N[5]-3:N[5]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5,5]N[5]2H)(C[6]C[6]HH)	C[5,5](C[5,5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]H)(N[5]C[5]C)(H)	C[5,6a](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5,5]N[5]2H)(C[6]C[6]HH){1|N<3>,2|O<1>,3|C<3>,4|H<1>}	C[5,5](C[5,5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]H)(N[5]C[5]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5,6a](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,7|H<1>}	100.7670	0.000	1	100.7670	0.000	1	100.7670	0.000	1	100.2856	0.384	4	100.7312	0.640	7	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,5]	C[5,6a]	4:3:4:4:	4:3:3:1:	4:3:3:	C[5,6]-4:C[5,6a]-3:C[5,5]-4:C[6]-4:	C[5,5,6]-4:N[5]-3:N[5]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	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[5,5](C[5,5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]H)(N[5]C[5]S)(H)	C[5,6a](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	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[5,5](C[5,5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]H)(N[5]C[5]S)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,4|C<3>,6|H<1>}	100.6770	0.000	1	100.6770	0.000	1	100.6770	0.000	1	100.6770	0.000	1	100.7312	0.640	7	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,6,6]	C[5,5,6a]	4:4:3:1:	3:4:4:1:	3:3:4:	C[5,6,6]-4:C[5,6,6]-4:C[5,5,6a]-3:Cl-1:	C[6,6,6a]-3:C[5,5,6]-4:C[5,6,6]-4:Cl-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6]-4:	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[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[5,5,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])2(C[5,5,6]C[5,6,6]2Cl)	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[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[5,5,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])2(C[5,5,6]C[5,6,6]2Cl){4|Cl<1>,2|C<4>,5|C<3>}	98.6101	1.963	2	98.6101	3.854	2	98.6101	3.854	2	98.6101	3.854	2	98.6101	3.854	2	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,6,6]	C[5,6a]	4:3:4:4:	4:3:3:1:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5,5,6]-4:N[5,6]-3:C[6,6]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5,6a]C[6])(C[6,6]C[6]2)(H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH){1|C<4>,5|C<3>,5|H<1>}	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5,6a]C[6])(C[6,6]C[6]2)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,6|H<1>}	102.3720	0.000	1	102.3720	0.000	1	102.3720	0.000	1	102.3720	0.000	1	102.2657	0.619	66	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,6,6]	C[5,6a]	4:4:3:4:	4:3:4:1:	4:3:3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6a]-3:C[5]-4:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5,6]C[5,6a]C[6])(C[6,6]C[6]2H)(H)	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){2|C<3>,4|H<1>,6|C<4>}	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5,6]C[5,6a]C[6])(C[6,6]C[6]2H)(H){1|N<3>,2|C<3>,3|C<4>,9|H<1>}	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,4|C<4>,6|H<1>}	99.0358	0.000	1	99.0358	0.000	1	99.0358	0.000	1	99.0358	0.000	1	102.2657	0.619	66	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,6,6]	C[5,6a]	4:4:3:4:	4:3:4:2:	4:3:3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6a]-3:C[5]-4:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:O-2:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,6,6]C[6,6]N[5,6]O)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5,6]C[5,6a]C[6])(C[6,6]C[6]2H)(OH)	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,6,6]C[6,6]N[5,6]O)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){2|C<3>,4|H<1>,6|C<4>}	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5,6]C[5,6a]C[6])(C[6,6]C[6]2H)(OH){1|N<3>,2|C<3>,3|C<4>,9|H<1>}	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|O<2>,4|C<4>,4|H<1>}	100.0050	0.000	1	100.0050	0.000	1	100.0050	0.000	1	100.0050	0.000	1	102.2657	0.619	66	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,6,6]	C[5,6a]	4:4:3:4:	4:4:3:1:	4:3:3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6a]-3:C[5]-4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6a]C[6])(H)	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){2|C<3>,4|C<4>,7|H<1>}	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6a]C[6])(H){1|N<4>,1|O<2>,3|C<3>,3|C<4>,7|H<1>}	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<4>,4|C<4>,6|H<1>}	99.7341	0.000	1	102.3512	0.391	63	102.3512	0.391	63	102.3512	0.391	63	102.2657	0.619	66	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,6,6]	C[5,6a]	4:4:3:4:	4:4:3:1:	4:3:3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6a]-3:C[5]-4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6a]C[6])(H)	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){3|C<3>,3|C<4>,6|H<1>}	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6a]C[6])(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	102.0380	0.000	1	102.3512	0.391	63	102.3512	0.391	63	102.3512	0.391	63	102.2657	0.619	66	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,6,6]	C[5,6a]	4:4:3:4:	4:4:3:1:	4:3:3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6a]-3:C[5]-4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6a]C[6])(H)	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){3|C<3>,3|C<4>,6|H<1>}	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6a]C[6])(H){1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	102.2691	0.432	9	102.3512	0.391	63	102.3512	0.391	63	102.3512	0.391	63	102.2657	0.619	66	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,6,6]	C[5,6a]	4:4:3:4:	4:4:3:1:	4:3:3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6a]-3:C[5]-4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6a]C[6])(H)	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){3|C<3>,3|C<4>,7|H<1>}	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6a]C[6])(H){1|N<4>,1|O<1>,1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|N<4>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	102.3789	0.617	39	102.3512	0.391	63	102.3512	0.391	63	102.3512	0.391	63	102.2657	0.619	66	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,6,6]	C[5,6a]	4:4:3:4:	4:4:3:1:	4:3:3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6a]-3:C[5]-4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6a]C[6])(H)	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){3|C<3>,3|C<4>,7|H<1>}	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6a]C[6])(H){1|N<4>,1|O<1>,1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|N<4>,2|C<3>,3|C<4>,6|H<1>}	102.5502	0.244	13	102.3512	0.391	63	102.3512	0.391	63	102.3512	0.391	63	102.2657	0.619	66	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6a]	3:3:4:4:	4:3:2:1:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[5,6]-4:C[5]-4:	C[5,5,6]-4:N[5]-3:O[6]-2:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-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)	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[5,6a](C[5,5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[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){1|N<3>,1|O<1>,1|S<4>,2|H<1>,4|C<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){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,3|C<3>,5|H<1>}	101.9710	0.000	1	101.9710	0.000	1	101.9710	0.000	1	101.9710	0.000	1	101.3367	0.985	50	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6a]	3:3:4:4:	4:4:4:1:	3:4:3:	C[5,6a]-3:C[5,6]-3:C[5,6]-4:C[5,6]-4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)2	C[5,6](C[5,5,6]C[5,6a]C[5,6]2)(C[5]C[5,6a]HH)(C[6]C[6]HH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5,6]C[5,6]3)(C[6a]C[6a]O)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)2{1|C<4>,1|O<1>,1|O<2>,4|C<3>,8|H<1>}	C[5,6](C[5,5,6]C[5,6a]C[5,6]2)(C[5]C[5,6a]HH)(C[6]C[6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5,6]C[5,6]3)(C[6a]C[6a]O){3|C<3>,3|C<4>,6|H<1>}	100.7400	0.000	1	100.7400	0.000	1	100.7400	0.000	1	100.7400	0.000	1	101.3367	0.985	50	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6a]	3:3:4:4:	4:4:4:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,6]-4:C[5,6]-4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6a]C[5,6a]C[6a])2(C[5,6]C[5]C[6]H)2	C[5,6](C[5,5,6]C[5,6a]2C[5,6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H)	C[5,6a](C[5,5,6]C[5,6a]C[5,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])2(C[5,6]C[5]C[6]H)2{10|H<1>,1|C<4>,4|C<3>}	C[5,6](C[5,5,6]C[5,6a]2C[5,6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,5,6]C[5,6a]C[5,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){3|C<4>,4|C<3>,5|H<1>}	101.1220	0.205	2	101.1220	0.042	2	101.0286	0.241	16	101.0286	0.241	16	101.3367	0.985	50	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6a]	3:3:4:4:	4:4:4:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,6]-4:C[5,6]-4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6a]C[5,6a]C[6a])2(C[5,6]C[5]C[6]H)2	C[5,6](C[5,5,6]C[5,6a]2C[5,6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H)	C[5,6a](C[5,5,6]C[5,6a]C[5,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5,5,6](C[5,6a]C[5,6a]C[6a])2(C[5,6]C[5]C[6]H)2{1|C<4>,2|O<2>,4|C<3>,8|H<1>}	C[5,6](C[5,5,6]C[5,6a]2C[5,6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,5,6]C[5,6a]C[5,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|Br<1>,3|C<3>,3|C<4>,5|H<1>}	100.4340	0.020	2	101.0153	0.273	14	101.0286	0.241	16	101.0286	0.241	16	101.3367	0.985	50	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6a]	3:3:4:4:	4:4:4:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,6]-4:C[5,6]-4:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6a]C[5,6a]C[6a])2(C[5,6]C[5]C[6]H)2	C[5,6](C[5,5,6]C[5,6a]2C[5,6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H)	C[5,6a](C[5,5,6]C[5,6a]C[5,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5,5,6](C[5,6a]C[5,6a]C[6a])2(C[5,6]C[5]C[6]H)2{1|C<4>,2|O<2>,4|C<3>,8|H<1>}	C[5,6](C[5,5,6]C[5,6a]2C[5,6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,5,6]C[5,6a]C[5,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){3|C<3>,3|C<4>,6|H<1>}	101.1122	0.501	12	101.0153	0.273	14	101.0286	0.241	16	101.0286	0.241	16	101.3367	0.985	50	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6a]	3:4:3:4:	4:3:2:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,5,6]-4:N[5]-3:O[6]-2:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	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)	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[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]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){1|C<4>,4|C<3>,5|H<1>}	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[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	100.7280	0.000	1	100.7280	0.000	1	100.7280	0.000	1	100.7280	0.000	1	101.3367	0.985	50	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6a]	3:4:3:4:	4:3:4:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]C)(C[6]C[6]HH)(H)	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5,6]C[6]N[5])(C[5]C[5]HH){1|C<4>,1|S<4>,3|C<3>,6|H<1>}	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]C)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,5|H<1>}	100.5825	0.603	2	100.5825	0.364	2	100.5825	0.364	2	100.5825	0.364	2	101.3367	0.985	50	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6a]	3:4:4:4:	4:2:4:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5,6]-4:C[5]-4:	C[5,5,6]-4:N[5]-2:C[6]-4:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)2(C[5]C[5]HH)	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5]C[5,6a])(C[6]C[6]CH)(H)	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)2(C[5]C[5]HH){1|C<4>,5|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5]C[5,6a])(C[6]C[6]CH)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,6|H<1>}	101.1220	0.000	1	101.1220	0.000	1	101.1220	0.000	1	101.1220	0.000	1	101.3367	0.985	50	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6a]	3:4:4:4:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5,6]-4:C[5]-4:	C[5,5,6]-4:N[5]-3:C[6]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)2(C[5]C[5]HH)	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]H)(C[6]C[6]C)(H)	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)2(C[5]C[5]HH){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]H)(C[6]C[6]C)(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,7|H<1>}	102.8230	0.000	1	102.8230	0.000	1	102.8230	0.000	1	102.8230	0.000	1	101.3367	0.985	50	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6a]	3:4:4:4:	4:3:4:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5,6]-4:C[5]-4:	C[5,5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)2(C[5]C[5]HH)	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]S)(C[6]C[6]HH)(H)	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)2(C[5]C[5]HH){1|S<4>,2|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]S)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|S<4>,2|C<3>,2|C<4>,6|H<1>}	103.2200	0.000	1	103.2200	0.000	1	103.2200	0.000	1	103.2200	0.000	1	101.3367	0.985	50	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6a]	3:4:4:4:	4:4:2:1:	4:3:3:	C[5,6a]-3:C[5,6,6]-4:C[5,6]-4:C[5]-4:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[6a,6a]-3:C[5,6a]-3:	C[5,5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]H)(C[5]C[5,6]HH)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6]C[6,6]HH)(O[5]C[5,6a])(H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])	C[5,5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]H)(C[5]C[5,6]HH){2|C<4>,3|C<3>,7|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6]C[6,6]HH)(O[5]C[5,6a])(H){2|C<3>,4|C<4>,4|H<1>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5]){3|C<3>,4|C<4>,6|H<1>}	98.3648	0.000	1	98.3648	0.000	1	98.3648	0.000	1	99.4939	1.199	3	101.3367	0.985	50	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6a]	3:4:4:4:	4:4:2:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5,6]-4:C[5]-4:	C[5,5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[5,6]C[6]N[5]O)(C[5]C[5]HH)	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[6]O[5]2)(O[5]C[5,6a])(H)	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]C)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[5,6]C[6]N[5]O)(C[5]C[5]HH){2|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[6]O[5]2)(O[5]C[5,6a])(H){1|N<3>,1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]C){1|C<3>,1|N<3>,2|O<2>,3|C<4>,4|H<1>}	100.0584	0.697	2	100.0584	0.485	2	100.0584	0.485	2	99.4939	1.199	3	101.3367	0.985	50	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6a]	3:4:4:4:	4:4:4:1:	4:3:3:	C[5,6a]-3:C[5,6]-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[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H)	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]N[6a]C[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|I<1>,1|N<2>,1|O<1>,6|H<1>}	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H){1|N<2>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]N[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	102.4430	0.000	1	102.4430	0.000	1	102.4430	0.000	1	102.4430	0.000	1	101.3367	0.985	50	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6a]	4:3:4:4:	4:3:3:1:	4:3:3:	C[5,5,6,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5,5,6]-4:N[5]-3:C[6]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6,6]C[5,6,6]N[5,6]O[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]O)(H)	C[5,6a](C[5,5,6]C[5,5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6,6]C[5,6,6]N[5,6]O[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH){1|O<1>,3|C<3>,3|H<1>,5|C<4>}	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]O)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,5,6]C[5,5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	102.8780	0.000	1	102.8780	0.000	1	102.8780	0.000	1	101.7205	2.680	2	101.3367	0.985	50	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6a]	4:3:4:4:	4:3:3:1:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5,5,6]-4:N[5]-3:C[6]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]O)(H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]O)(H){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,7|H<1>}	100.5630	0.000	1	100.5630	0.000	1	100.5630	0.000	1	101.7205	2.680	2	101.3367	0.985	50	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6a]	4:3:4:4:	4:3:4:1:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5,5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]CO)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH){1|H<1>,1|O<1>,1|O<2>,3|C<3>,5|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]CO)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,6|H<1>}	102.2670	0.000	1	102.2670	0.000	1	101.2070	2.247	2	101.5618	0.634	17	101.3367	0.985	50	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6a]	4:3:4:4:	4:3:4:1:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5,5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]HH)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,7|H<1>}	100.1470	0.000	1	100.1470	0.000	1	101.2070	2.247	2	101.5618	0.634	17	101.3367	0.985	50	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6a]	4:3:4:4:	4:3:4:1:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5,5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]HH)(H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH){2|C<3>,4|C<4>,6|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,3|C<4>,6|H<1>}	100.8650	0.000	1	100.8650	0.000	1	101.6091	0.544	15	101.5618	0.634	17	101.3367	0.985	50	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6a]	4:3:4:4:	4:3:4:1:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5,5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]CO)(H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH){1|O<2>,3|C<3>,3|H<1>,5|C<4>}	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]CO)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,4|C<4>,6|H<1>}	101.4788	0.200	4	101.8992	0.496	10	101.6091	0.544	15	101.5618	0.634	17	101.3367	0.985	50	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6a]	4:3:4:4:	4:3:4:1:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5,5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]CO)(H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH){1|O<2>,3|C<3>,3|H<1>,5|C<4>}	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]CO)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,4|C<4>,6|H<1>}	101.8170	0.000	1	101.8992	0.496	10	101.6091	0.544	15	101.5618	0.634	17	101.3367	0.985	50	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6a]	4:3:4:4:	4:3:4:1:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5,5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]CO)(H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH){1|O<2>,3|C<4>,3|H<1>,5|C<3>}	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]CO)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,6|H<1>}	103.1480	0.000	1	101.8992	0.496	10	101.6091	0.544	15	101.5618	0.634	17	101.3367	0.985	50	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6a]	4:3:4:4:	4:3:4:1:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5,5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]CO)(H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH){1|O<2>,3|H<1>,4|C<3>,4|C<4>}	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]CO)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,4|C<4>,6|H<1>}	101.5965	0.070	2	101.8992	0.496	10	101.6091	0.544	15	101.5618	0.634	17	101.3367	0.985	50	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6a]	4:3:4:4:	4:3:4:1:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5,5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]CO)(H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH){1|O<2>,3|H<1>,4|C<3>,4|C<4>}	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]CO)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,5|C<4>,5|H<1>}	102.4595	1.119	2	101.8992	0.496	10	101.6091	0.544	15	101.5618	0.634	17	101.3367	0.985	50	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6a]	4:3:4:4:	4:3:4:1:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5,5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]HH)(H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH){2|C<3>,4|C<4>,6|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,7|H<1>}	101.0697	0.444	4	101.0697	0.197	4	101.6091	0.544	15	101.5618	0.634	17	101.3367	0.985	50	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6a]	4:3:4:4:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5,5,6]-4:C[6,6]-4:N[5]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,6,6]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5]H)(C[5]C[5]HH)	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6,6]C[6,6]O[6]C)(N[5]C[5,6a]C)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[5,6,6]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5]H)(C[5]C[5]HH){1|O<2>,3|C<3>,3|H<1>,5|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6,6]C[6,6]O[6]C)(N[5]C[5,6a]C)(H){1|N<3>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,4|C<4>,6|H<1>}	103.1925	0.210	2	103.1925	0.044	2	103.1925	0.044	2	102.5643	1.206	3	101.3367	0.985	50	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6a]	4:3:4:4:	4:4:3:1:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5,5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[5]C[5]HH)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[5,6]C[5,6]C[5]C)(N[5]C[5,6a]C)(H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[5]C[5]HH){3|H<1>,4|C<3>,5|C<4>}	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[5,6]C[5,6]C[5]C)(N[5]C[5,6a]C)(H){1|N<3>,2|C<3>,3|C<4>,7|H<1>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,4|C<4>,6|H<1>}	101.3080	0.000	1	101.3080	0.000	1	101.3080	0.000	1	102.5643	1.206	3	101.3367	0.985	50	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5,6]	C[5]	C[5,6a]	4:3:4:4:	4:2:2:1:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-4:	C[5,5,6]-4:O[5]-2:O-2:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]HH)(C[5]O[5]HO)	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(O[5]C[5,6a])(OH)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]HH)(C[5]O[5]HO){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(O[5]C[5,6a])(OH)(H){2|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	99.6203	0.000	1	99.6203	0.000	1	99.6203	0.000	1	99.6203	0.000	1	99.6203	0.000	1	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[3x5,6]	C[5,6a]	4:3:3:1:	4:4:4:4:	4:3:3:	C[3x5,6]-4:C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:C[5,5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5,6a]C[5,6a]C[6a])2(H)	C[3x5,6](C[5,6]C[5,6a]C[6]H)2(C[5,5]C[5,6a]2H)2	C[5,6a](C[5,5]C[3x5,6]C[5,6a]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5,6a]C[5,6a]C[6a])2(H){1|O<2>,2|C<4>,4|H<1>,6|C<3>}	C[3x5,6](C[5,6]C[5,6a]C[6]H)2(C[5,5]C[5,6a]2H)2{2|Br<1>,2|H<1>,7|C<3>}	C[5,6a](C[5,5]C[3x5,6]C[5,6a]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	102.9970	0.431	2	102.9970	0.186	2	102.9958	0.735	4	102.9958	0.735	4	102.9958	0.735	4	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[3x5,6]	C[5,6a]	4:3:3:1:	4:4:4:4:	4:3:3:	C[3x5,6]-4:C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:C[5,5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5,6a]C[5,6a]C[6a])2(H)	C[3x5,6](C[5,6]C[5,6a]C[6]H)2(C[5,5]C[5,6a]2H)2	C[5,6a](C[5,5]C[3x5,6]C[5,6a]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]O)	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5,6a]C[5,6a]C[6a])2(H){1|O<2>,2|C<4>,4|H<1>,6|C<3>}	C[3x5,6](C[5,6]C[5,6a]C[6]H)2(C[5,5]C[5,6a]2H)2{2|Br<1>,2|H<1>,7|C<3>}	C[5,6a](C[5,5]C[3x5,6]C[5,6a]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]O){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	102.9945	1.421	2	102.9945	2.018	2	102.9958	0.735	4	102.9958	0.735	4	102.9958	0.735	4	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[3x5]	C[5,5a]	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[5a,6a]-3:C[5,5a]-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[5,5a](C[5,5]C[5,5a]C[3x5]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a])	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[5,5a](C[5,5]C[5,5a]C[3x5]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a]){1|O<2>,1|S<4>,2|C<4>,2|H<1>,6|C<3>}	102.8150	0.000	1	102.8150	0.000	1	101.5320	3.292	2	101.5320	3.292	2	101.8902	1.398	4	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[3x5]	C[5,5a]	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[5a,6a]-3:C[5,5a]-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[5,5a](C[5,5]C[5,5a]C[3x5]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])	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[5,5a](C[5,5]C[5,5a]C[3x5]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5]){1|S<4>,2|C<4>,3|H<1>,6|C<3>}	100.2490	0.000	1	100.2490	0.000	1	101.5320	3.292	2	101.5320	3.292	2	101.8902	1.398	4	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[3x5]	C[5,5a]	3:4:2:1:	4:4:4:4:	3:4:3:	C[5,5a]-3:C[3x5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:C[5]-4:	C[5,5a]-3:C[5,5]-4:N[5a]-3:	C[5,5](C[5,5a]C[5,5a]N[5a])(C[3x5]C[5,5]C[5]2)(O[5]C[5])(H)	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[5,5a](C[5,5a]C[5a,6a]C[5,5])(C[5,5]C[3x5]O[5]H)(N[5a]C[5a,6a]S)	C[5,5](C[5,5a]C[5,5a]N[5a])(C[3x5]C[5,5]C[5]2)(O[5]C[5])(H){1|S<4>,5|C<3>,6|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[5,5a](C[5,5a]C[5a,6a]C[5,5])(C[5,5]C[3x5]O[5]H)(N[5a]C[5a,6a]S){3|C<4>,4|C<3>}	102.6890	0.000	1	102.6890	0.000	1	102.6890	0.000	1	102.6890	0.000	1	101.8902	1.398	4	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[3x5]	C[5,5a]	4:3:2:1:	4:4:3:2:	3:4:3:	C[3x5]-4:C[5,5a]-3:O[5]-2:H-1:	C[5,5]-4:C[5,5]-4:C[5]-3:O[5]-2:	N[5,5a]-3:C[5,5]-4:C[5a]-3:	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5,5a]N[5,5a]C[5a])(O[5]C[5])(H)	C[3x5](C[5,5]C[5,5a]O[5]H)(C[5,5]C[5]O[5]H)(C[5]N[5,5a]O)(O[5]C[5])	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5,5]C[3x5]O[5]H)(C[5a]C[5a,6a]H)	C[5,5](C[3x5]C[5,5]C[5]O[5])(C[5,5a]N[5,5a]C[5a])(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[3x5](C[5,5]C[5,5a]O[5]H)(C[5,5]C[5]O[5]H)(C[5]N[5,5a]O)(O[5]C[5]){1|H<1>,2|C<3>,3|C<4>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5,5]C[3x5]O[5]H)(C[5a]C[5a,6a]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	101.8080	0.000	1	101.8080	0.000	1	101.8080	0.000	1	101.8080	0.000	1	101.8902	1.398	4	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[3x5]	C[5,6a]	3:3:4:1:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2H)(H)	C[3x5](C[5,5]C[5,6a]2H)2(C[5,5]C[5,6a]2)(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2H)(H){3|H<1>,6|C<3>}	C[3x5](C[5,5]C[5,6a]2H)2(C[5,5]C[5,6a]2)(H){6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	104.0278	0.146	18	103.0558	0.999	38	103.0558	0.999	38	103.0558	0.999	38	103.9363	1.147	292	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[3x5]	C[5,6a]	3:3:4:1:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2H)(H)	C[3x5](C[5,5]C[5,6a]2H)2(C[5,5]C[5,6a]2)(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2H)(H){3|H<1>,6|C<3>}	C[3x5](C[5,5]C[5,6a]2H)2(C[5,5]C[5,6a]2)(H){6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){4|H<1>,5|C<3>}	102.1810	0.475	20	103.0558	0.999	38	103.0558	0.999	38	103.0558	0.999	38	103.9363	1.147	292	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[3x5]	C[5,6a]	3:3:4:1:	4:4:4:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2H)(H)	C[3x5](C[5,5]C[5,6a]2H)3(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2H)(H){2|C<4>,2|H<1>,6|C<3>}	C[3x5](C[5,5]C[5,6a]2H)3(H){6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C){2|C<4>,3|H<1>,4|C<3>}	103.3794	0.439	5	103.3794	0.192	5	103.3794	0.192	5	103.3794	0.192	5	103.9363	1.147	292	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[3x5]	C[5,6a]	3:3:4:1:	4:4:4:2:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:C-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(H)	C[3x5](C[5,5]C[5,6a]C[5]H)2(C[5,5]C[5,6a]2H)(CN)	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(H){4|H<1>,6|C<3>}	C[3x5](C[5,5]C[5,6a]C[5]H)2(C[5,5]C[5,6a]2H)(CN){1|C<2>,1|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,3|H<1>,4|C<3>}	103.6705	0.330	2	103.6705	0.109	2	103.6705	0.109	2	103.6705	0.109	2	103.9363	1.147	292	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[3x5]	C[5,6a]	3:3:4:1:	4:4:4:4:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(H)	C[3x5](C[5,5]C[5,6a]2H)2(C[5,5]C[5,6a]2O)(CH3)	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(H){1|O<1>,2|H<1>,7|C<3>}	C[3x5](C[5,5]C[5,6a]2H)2(C[5,5]C[5,6a]2O)(CH3){6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]2){1|H<1>,1|O<1>,2|C<4>,7|C<3>}	105.3625	0.101	2	105.3625	0.010	2	104.6825	0.671	39	104.7394	0.703	41	103.9363	1.147	292	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[3x5]	C[5,6a]	3:3:4:1:	4:4:4:4:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(H)	C[3x5](C[5,5]C[5,6a]2H)2(C[5,5]C[5,6a]2O)(CH3)	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(H){1|O<1>,2|H<1>,7|C<3>}	C[3x5](C[5,5]C[5,6a]2H)2(C[5,5]C[5,6a]2O)(CH3){6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	104.4610	0.074	2	104.4610	0.005	2	104.6825	0.671	39	104.7394	0.703	41	103.9363	1.147	292	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[3x5]	C[5,6a]	3:3:4:1:	4:4:4:4:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(H)	C[3x5](C[5,5]C[5,6a]2H)3(CH3)	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(H){2|H<1>,8|C<3>}	C[3x5](C[5,5]C[5,6a]2H)3(CH3){6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]2){2|C<4>,2|H<1>,7|C<3>}	105.8187	0.165	6	105.8187	0.027	6	104.6825	0.671	39	104.7394	0.703	41	103.9363	1.147	292	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[3x5]	C[5,6a]	3:3:4:1:	4:4:4:4:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(H)	C[3x5](C[5,5]C[5,6a]2H)3(CH3)	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(H){2|C<4>,2|H<1>,6|C<3>}	C[3x5](C[5,5]C[5,6a]2H)3(CH3){6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C){2|C<4>,3|H<1>,4|C<3>}	103.4855	0.200	4	103.8488	0.236	15	104.6825	0.671	39	104.7394	0.703	41	103.9363	1.147	292	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[3x5]	C[5,6a]	3:3:4:1:	4:4:4:4:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(H)	C[3x5](C[5,5]C[5,6a]2H)3(CH3)	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(H){2|C<4>,2|H<1>,6|C<3>}	C[3x5](C[5,5]C[5,6a]2H)3(CH3){6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<4>,4|C<3>}	103.9809	0.496	11	103.8488	0.236	15	104.6825	0.671	39	104.7394	0.703	41	103.9363	1.147	292	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[3x5]	C[5,6a]	3:3:4:1:	4:4:4:4:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(H)	C[3x5](C[5,5]C[5,6a]2H)3(CH3)	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(H){4|H<1>,6|C<3>}	C[3x5](C[5,5]C[5,6a]2H)3(CH3){6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	104.7500	0.082	2	105.0234	0.094	14	104.6825	0.671	39	104.7394	0.703	41	103.9363	1.147	292	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[3x5]	C[5,6a]	3:3:4:1:	4:4:4:4:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(H)	C[3x5](C[5,5]C[5,6a]2H)3(CH3)	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(H){4|H<1>,6|C<3>}	C[3x5](C[5,5]C[5,6a]2H)3(CH3){6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	105.1524	0.234	8	105.0234	0.094	14	104.6825	0.671	39	104.7394	0.703	41	103.9363	1.147	292	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[3x5]	C[5,6a]	3:3:4:1:	4:4:4:4:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(H)	C[3x5](C[5,5]C[5,6a]2H)3(CH3)	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(H){4|H<1>,6|C<3>}	C[3x5](C[5,5]C[5,6a]2H)3(CH3){6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	104.9020	0.406	4	105.0234	0.094	14	104.6825	0.671	39	104.7394	0.703	41	103.9363	1.147	292	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[3x5]	C[5,6a]	3:3:4:1:	4:4:4:4:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:O-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(O)	C[3x5](C[5,5]C[5,6a]2H)2(C[5,5]C[5,6a]2O)(CH3)	C[5,6a](C[5,5]C[5,6a]C[3x5]O)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(O){2|H<1>,8|C<3>}	C[3x5](C[5,5]C[5,6a]2H)2(C[5,5]C[5,6a]2O)(CH3){6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]O)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]2){2|C<4>,2|H<1>,7|C<3>}	105.8495	0.177	2	105.8495	0.032	2	105.8495	0.032	2	104.7394	0.703	41	103.9363	1.147	292	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[3x5]	C[5,6a]	3:3:4:2:	4:3:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:O-2:	C[5,5]-4:N[5,5]-3:N[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]N[5,5]N[5]2)(OH)	C[3x5](C[5,5]C[5,6a]2O)(N[5,5]C[5,6a]2)(N[5]C[5,6a]S)2	C[5,6a](C[5,5]C[5,6a]C[3x5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]N[5,5]N[5]2)(OH){2|H<1>,2|S<4>,6|C<3>}	C[3x5](C[5,5]C[5,6a]2O)(N[5,5]C[5,6a]2)(N[5]C[5,6a]S)2{6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|S<4>,2|H<1>,2|N<3>,3|C<3>}	103.5130	0.000	1	103.5130	0.000	1	102.1150	3.909	2	102.1150	3.909	2	103.9363	1.147	292	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[3x5]	C[5,6a]	3:3:4:2:	4:3:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:O-2:	C[5,5]-4:N[5,5]-3:N[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]N[5,5]N[5]2)(OH)	C[3x5](C[5,5]C[5,6a]2O)(N[5,5]C[5,6a]2)(N[5]C[5,6a]S)2	C[5,6a](C[5,5]C[5,6a]C[3x5]O)(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]N[5,5]N[5]2)(OH){2|H<1>,2|S<4>,6|C<3>}	C[3x5](C[5,5]C[5,6a]2O)(N[5,5]C[5,6a]2)(N[5]C[5,6a]S)2{6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]O)(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,2|N<3>,4|C<3>}	100.7170	0.000	1	100.7170	0.000	1	102.1150	3.909	2	102.1150	3.909	2	103.9363	1.147	292	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[3x5]	C[5,6a]	3:3:4:2:	4:4:4:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:O-2:	C[5,5]-4:C[5,5]-4:C[5,5]-4:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(OC)	C[3x5](C[5,5]C[5,6a]C[5]H)(C[5,5]C[5,6a]O[5]O)(C[5,5]C[5,6a]2O)(CC[6a]O)	C[5,6a](C[5,5]C[5,6a]C[3x5]O)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(OC){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[3x5](C[5,5]C[5,6a]C[5]H)(C[5,5]C[5,6a]O[5]O)(C[5,5]C[5,6a]2O)(CC[6a]O){1|O<2>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]O)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	104.2760	0.000	1	103.8755	0.321	2	103.8755	0.321	2	103.8755	0.321	2	103.9363	1.147	292	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[3x5]	C[5,6a]	3:3:4:2:	4:4:4:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:O-2:	C[5,5]-4:C[5,5]-4:C[5,5]-4:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(OC)	C[3x5](C[5,5]C[5,6a]C[5]H)(C[5,5]C[5,6a]O[5]O)(C[5,5]C[5,6a]2O)(CC[6a]O)	C[5,6a](C[5,5]C[5,6a]C[3x5]O)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(OC){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[3x5](C[5,5]C[5,6a]C[5]H)(C[5,5]C[5,6a]O[5]O)(C[5,5]C[5,6a]2O)(CC[6a]O){1|O<2>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]O)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	103.4750	0.000	1	103.8755	0.321	2	103.8755	0.321	2	103.8755	0.321	2	103.9363	1.147	292	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[3x5]	C[5,6a]	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[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2H)(C[6a]C[6a]2)	C[3x5](C[5,5]C[5,6a]2C[6a])3(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2H)(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[5,6a](C[5,5]C[5,6a]C[3x5]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,7|C<3>}	103.3066	0.271	23	103.3066	0.073	23	103.3066	0.073	23	103.4034	0.127	29	103.9363	1.147	292	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[3x5]	C[5,6a]	3:3:4:3:	4:4:4:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:Si-3:	C[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2H)(SiCC)	C[3x5](C[5,5]C[5,6a]2Si)3(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]Si)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2H)(SiCC){2|Si<3>,2|H<1>,6|C<3>}	C[3x5](C[5,5]C[5,6a]2Si)3(H){6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]Si)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|Si<3>,1|C<4>,3|H<1>,4|C<3>}	103.7745	0.422	6	103.7745	0.178	6	103.7745	0.178	6	103.4034	0.127	29	103.9363	1.147	292	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[3x5]	C[5,6a]	3:3:4:4:	4:3:4:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:C-4:	C[5,5]-4:C[5,5]-3:C[5,5]-4:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CC3)	C[3x5](C[5,5]C[5,6a]O[5]H)(C[5,5]C[5,6a]C[5])(C[5,5]C[5,6a]2C)(CC[6a]O)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CC3){1|O<2>,3|H<1>,5|C<3>}	C[3x5](C[5,5]C[5,6a]O[5]H)(C[5,5]C[5,6a]C[5])(C[5,5]C[5,6a]2C)(CC[6a]O){5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	101.2540	0.000	1	100.0020	3.135	2	100.0020	3.135	2	100.0020	3.135	2	103.9363	1.147	292	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[3x5]	C[5,6a]	3:3:4:4:	4:3:4:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:C-4:	C[5,5]-4:C[5,5]-3:C[5,5]-4:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CC3)	C[3x5](C[5,5]C[5,6a]O[5]H)(C[5,5]C[5,6a]C[5])(C[5,5]C[5,6a]2C)(CC[6a]O)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CC3){1|O<2>,3|H<1>,5|C<3>}	C[3x5](C[5,5]C[5,6a]O[5]H)(C[5,5]C[5,6a]C[5])(C[5,5]C[5,6a]2C)(CC[6a]O){5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|O<2>,3|H<1>,5|C<3>}	98.7500	0.000	1	100.0020	3.135	2	100.0020	3.135	2	100.0020	3.135	2	103.9363	1.147	292	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[3x5]	C[5,6a]	3:3:4:4:	4:4:4:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:C-4:	C[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2H)(CH3)	C[3x5](C[5,5]C[5,6a]2C)3(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2H)(CH3){2|C<4>,2|H<1>,6|C<3>}	C[3x5](C[5,5]C[5,6a]2C)3(H){6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|Br<1>,2|C<4>,2|H<1>,4|C<3>}	103.5223	0.148	6	103.6095	0.021	16	103.6095	0.021	16	103.5837	0.019	20	103.9363	1.147	292	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[3x5]	C[5,6a]	3:3:4:4:	4:4:4:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:C-4:	C[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2H)(CH3)	C[3x5](C[5,5]C[5,6a]2C)3(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2H)(CH3){2|C<4>,2|H<1>,6|C<3>}	C[3x5](C[5,5]C[5,6a]2C)3(H){6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	103.6618	0.120	10	103.6095	0.021	16	103.6095	0.021	16	103.5837	0.019	20	103.9363	1.147	292	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[3x5]	C[5,6a]	3:3:4:4:	4:4:4:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:Si-4:	C[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2H)(SiC3)	C[3x5](C[5,5]C[5,6a]2Si)3(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]Si)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2H)(SiC3){2|Si<4>,2|H<1>,6|C<3>}	C[3x5](C[5,5]C[5,6a]2Si)3(H){6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]Si)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|Si<4>,1|C<4>,3|H<1>,4|C<3>}	103.4805	0.022	4	103.4805	0.000	4	103.4805	0.000	4	103.5837	0.019	20	103.9363	1.147	292	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[3x5]	C[5,6a]	3:3:4:4:	4:4:4:4:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:C-4:	C[5,5]-4:C[5,5]-4:C[5,5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CCHH)	C[3x5](C[5,5]C[5,6a]2C)3(CH3)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CCHH){1|Br<1>,1|H<1>,2|C<4>,6|C<3>}	C[3x5](C[5,5]C[5,6a]2C)3(CH3){6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br){1|H<1>,1|O<2>,3|C<4>,4|C<3>}	103.8623	0.283	3	103.8623	0.080	3	104.0784	0.376	103	104.0784	0.376	103	103.9363	1.147	292	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[3x5]	C[5,6a]	3:3:4:4:	4:4:4:4:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:C-4:	C[5,5]-4:C[5,5]-4:C[5,5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CCHH)	C[3x5](C[5,5]C[5,6a]2C)3(CH3)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CCHH){1|Br<1>,1|H<1>,2|C<4>,6|C<3>}	C[3x5](C[5,5]C[5,6a]2C)3(CH3){6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|Br<1>,3|C<4>,4|C<3>}	103.0947	0.408	3	103.8255	0.791	25	104.0784	0.376	103	104.0784	0.376	103	103.9363	1.147	292	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[3x5]	C[5,6a]	3:3:4:4:	4:4:4:4:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:C-4:	C[5,5]-4:C[5,5]-4:C[5,5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CCHH)	C[3x5](C[5,5]C[5,6a]2C)3(CH3)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CCHH){2|C<4>,2|H<1>,6|C<3>}	C[3x5](C[5,5]C[5,6a]2C)3(CH3){6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<4>,4|C<3>}	103.4922	0.815	4	103.8255	0.791	25	104.0784	0.376	103	104.0784	0.376	103	103.9363	1.147	292	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[3x5]	C[5,6a]	3:3:4:4:	4:4:4:4:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:C-4:	C[5,5]-4:C[5,5]-4:C[5,5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CCHH)	C[3x5](C[5,5]C[5,6a]2C)3(CH3)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CCHH){2|C<4>,2|H<1>,6|C<3>}	C[3x5](C[5,5]C[5,6a]2C)3(CH3){6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<4>,4|C<3>}	103.9423	0.376	4	103.8255	0.791	25	104.0784	0.376	103	104.0784	0.376	103	103.9363	1.147	292	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[3x5]	C[5,6a]	3:3:4:4:	4:4:4:4:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:C-4:	C[5,5]-4:C[5,5]-4:C[5,5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CCHH)	C[3x5](C[5,5]C[5,6a]2C)3(CH3)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CCHH){2|C<4>,2|H<1>,6|C<3>}	C[3x5](C[5,5]C[5,6a]2C)3(CH3){6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	104.0440	1.018	14	103.8255	0.791	25	104.0784	0.376	103	104.0784	0.376	103	103.9363	1.147	292	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[3x5]	C[5,6a]	3:3:4:4:	4:4:4:4:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:C-4:	C[5,5]-4:C[5,5]-4:C[5,5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CH3)	C[3x5](C[5,5]C[5,6a]2C)3(CH3)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[5,6,6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CH3){2|C<4>,2|H<1>,6|C<3>}	C[3x5](C[5,5]C[5,6a]2C)3(CH3){6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[5,6,6a]H){1|H<1>,4|C<3>,4|C<4>}	104.3430	0.000	1	104.3430	0.000	1	104.0784	0.376	103	104.0784	0.376	103	103.9363	1.147	292	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[3x5]	C[5,6a]	3:3:4:4:	4:4:4:4:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:C-4:	C[5,5]-4:C[5,5]-4:C[5,5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CH3)	C[3x5](C[5,5]C[5,6a]2C)3(CH3)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6,6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CH3){2|C<4>,2|H<1>,6|C<3>}	C[3x5](C[5,5]C[5,6a]2C)3(CH3){6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6,6a]H){1|H<1>,1|O<2>,3|C<4>,4|C<3>}	104.5695	0.018	2	104.5695	0.000	2	104.0784	0.376	103	104.0784	0.376	103	103.9363	1.147	292	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[3x5]	C[5,6a]	3:3:4:4:	4:4:4:4:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:C-4:	C[5,5]-4:C[5,5]-4:C[5,5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CH3)	C[3x5](C[5,5]C[5,6a]2C)3(CH3)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a,6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CH3){2|C<4>,2|H<1>,6|C<3>}	C[3x5](C[5,5]C[5,6a]2C)3(CH3){6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a,6a]H){1|H<1>,1|N<2>,3|C<4>,4|C<3>}	105.0690	0.083	2	104.8740	0.057	4	104.0784	0.376	103	104.0784	0.376	103	103.9363	1.147	292	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[3x5]	C[5,6a]	3:3:4:4:	4:4:4:4:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:C-4:	C[5,5]-4:C[5,5]-4:C[5,5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CH3)	C[3x5](C[5,5]C[5,6a]2C)3(CH3)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a,6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CH3){2|C<4>,2|H<1>,6|C<3>}	C[3x5](C[5,5]C[5,6a]2C)3(CH3){6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a,6a]H){1|H<1>,3|C<4>,5|C<3>}	104.6790	0.103	2	104.8740	0.057	4	104.0784	0.376	103	104.0784	0.376	103	103.9363	1.147	292	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[3x5]	C[5,6a]	3:3:4:4:	4:4:4:4:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:C-4:	C[5,5]-4:C[5,5]-4:C[5,5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CH3)	C[3x5](C[5,5]C[5,6a]2C)3(CH3)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CH3){1|Br<1>,1|H<1>,2|C<4>,6|C<3>}	C[3x5](C[5,5]C[5,6a]2C)3(CH3){6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br){1|Br<1>,1|O<2>,3|C<4>,4|C<3>}	104.0165	1.216	2	104.0165	1.477	2	104.0784	0.376	103	104.0784	0.376	103	103.9363	1.147	292	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[3x5]	C[5,6a]	3:3:4:4:	4:4:4:4:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:C-4:	C[5,5]-4:C[5,5]-4:C[5,5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CH3)	C[3x5](C[5,5]C[5,6a]2C)3(CH3)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CH3){1|Br<1>,1|H<1>,2|C<4>,6|C<3>}	C[3x5](C[5,5]C[5,6a]2C)3(CH3){6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	103.2585	0.018	2	104.1280	0.191	65	104.0784	0.376	103	104.0784	0.376	103	103.9363	1.147	292	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[3x5]	C[5,6a]	3:3:4:4:	4:4:4:4:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:C-4:	C[5,5]-4:C[5,5]-4:C[5,5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CH3)	C[3x5](C[5,5]C[5,6a]2C)3(CH3)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CH3){1|H<1>,1|O<2>,2|C<4>,6|C<3>}	C[3x5](C[5,5]C[5,6a]2C)3(CH3){6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	105.0780	0.000	1	104.1280	0.191	65	104.0784	0.376	103	104.0784	0.376	103	103.9363	1.147	292	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[3x5]	C[5,6a]	3:3:4:4:	4:4:4:4:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:C-4:	C[5,5]-4:C[5,5]-4:C[5,5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CH3)	C[3x5](C[5,5]C[5,6a]2C)3(CH3)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CH3){2|C<4>,2|H<1>,6|C<3>}	C[3x5](C[5,5]C[5,6a]2C)3(CH3){6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<4>,4|C<3>}	104.2440	0.000	1	104.1280	0.191	65	104.0784	0.376	103	104.0784	0.376	103	103.9363	1.147	292	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[3x5]	C[5,6a]	3:3:4:4:	4:4:4:4:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:C-4:	C[5,5]-4:C[5,5]-4:C[5,5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CH3)	C[3x5](C[5,5]C[5,6a]2C)3(CH3)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CH3){2|C<4>,2|H<1>,6|C<3>}	C[3x5](C[5,5]C[5,6a]2C)3(CH3){6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<4>,4|C<3>}	103.9250	0.000	1	104.1280	0.191	65	104.0784	0.376	103	104.0784	0.376	103	103.9363	1.147	292	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[3x5]	C[5,6a]	3:3:4:4:	4:4:4:4:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:C-4:	C[5,5]-4:C[5,5]-4:C[5,5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CH3)	C[3x5](C[5,5]C[5,6a]2C)3(CH3)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CH3){2|C<4>,2|H<1>,6|C<3>}	C[3x5](C[5,5]C[5,6a]2C)3(CH3){6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<4>,4|C<3>}	104.0587	0.355	7	104.1280	0.191	65	104.0784	0.376	103	104.0784	0.376	103	103.9363	1.147	292	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[3x5]	C[5,6a]	3:3:4:4:	4:4:4:4:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:C-4:	C[5,5]-4:C[5,5]-4:C[5,5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CH3)	C[3x5](C[5,5]C[5,6a]2C)3(CH3)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CH3){2|C<4>,2|H<1>,6|C<3>}	C[3x5](C[5,5]C[5,6a]2C)3(CH3){6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>,4|C<4>}	104.0860	0.341	15	104.1280	0.191	65	104.0784	0.376	103	104.0784	0.376	103	103.9363	1.147	292	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[3x5]	C[5,6a]	3:3:4:4:	4:4:4:4:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:C-4:	C[5,5]-4:C[5,5]-4:C[5,5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CH3)	C[3x5](C[5,5]C[5,6a]2C)3(CH3)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CH3){2|C<4>,2|H<1>,6|C<3>}	C[3x5](C[5,5]C[5,6a]2C)3(CH3){6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	104.1804	0.441	38	104.1280	0.191	65	104.0784	0.376	103	104.0784	0.376	103	103.9363	1.147	292	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[3x5]	C[5,6a]	3:3:4:4:	4:4:4:4:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:C-4:	C[5,5]-4:C[5,5]-4:C[5,5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CH3)	C[3x5](C[5,5]C[5,6a]2C)3(CH3)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CH3){1|H<1>,1|O<2>,2|C<4>,6|C<3>}	C[3x5](C[5,5]C[5,6a]2C)3(CH3){6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O){2|H<1>,3|C<4>,4|C<3>}	103.5220	0.000	1	103.5220	0.000	1	104.0784	0.376	103	104.0784	0.376	103	103.9363	1.147	292	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[3x5]	C[5,6a]	3:4:2:1:	4:3:4:3:	3:4:3:	C[5,6a]-3:C[3x5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,5]-3:C[5,5]-4:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2C)(O[5]C[5])(H)	C[3x5](C[5,5]C[5,6a]O[5]H)(C[5,5]C[5,6a]C[5])(C[5,5]C[5,6a]2C)(CC[6a]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]O[5]H)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2C)(O[5]C[5])(H){1|C<4>,1|H<1>,5|C<3>}	C[3x5](C[5,5]C[5,6a]O[5]H)(C[5,5]C[5,6a]C[5])(C[5,5]C[5,6a]2C)(CC[6a]O){5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]O[5]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	102.5600	0.000	1	102.5600	0.000	1	102.5600	0.000	1	102.5600	0.000	1	103.9363	1.147	292	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[3x5]	C[5,6a]	3:4:2:2:	4:4:4:3:	3:4:3:	C[5,6a]-3:C[3x5]-4:O[5]-2:O-2:	C[5,5]-4:C[5,5]-4:C[5,5]-4:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2C)(O[5]C[5])(OC)	C[3x5](C[5,5]C[5,6a]C[5]H)(C[5,5]C[5,6a]O[5]O)(C[5,5]C[5,6a]2O)(CC[6a]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]O[5]O)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2C)(O[5]C[5])(OC){2|H<1>,2|O<2>,5|C<3>}	C[3x5](C[5,5]C[5,6a]C[5]H)(C[5,5]C[5,6a]O[5]O)(C[5,5]C[5,6a]2O)(CC[6a]O){1|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]O[5]O)(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	106.1020	0.000	1	106.1020	0.000	1	106.1020	0.000	1	106.1020	0.000	1	103.9363	1.147	292	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[3x5]	C[5,6a]	3:4:3:1:	4:4:4:2:	3:4:3:	C[5,6a]-3:C[3x5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:C-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2C)(C[5]C[5]C)(H)	C[3x5](C[5,5]C[5,6a]C[5]H)2(C[5,5]C[5,6a]2H)(CN)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2C)(C[5]C[5]C)(H){4|C<3>,4|H<1>}	C[3x5](C[5,5]C[5,6a]C[5]H)2(C[5,5]C[5,6a]2H)(CN){1|C<2>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]H){1|C<4>,2|C<2>,3|C<3>,3|H<1>}	104.6270	0.000	1	104.6270	0.000	1	104.5610	0.009	2	104.5610	0.009	2	103.9363	1.147	292	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[3x5]	C[5,6a]	3:4:3:1:	4:4:4:2:	3:4:3:	C[5,6a]-3:C[3x5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:C-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2C)(C[5]C[5]H)(H)	C[3x5](C[5,5]C[5,6a]C[5]H)2(C[5,5]C[5,6a]2H)(CN)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2C)(C[5]C[5]H)(H){1|C<2>,3|H<1>,4|C<3>}	C[3x5](C[5,5]C[5,6a]C[5]H)2(C[5,5]C[5,6a]2H)(CN){1|C<2>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]H){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	104.4950	0.000	1	104.4950	0.000	1	104.5610	0.009	2	104.5610	0.009	2	103.9363	1.147	292	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[3x5]	C[5,6a]	3:4:3:1:	4:4:4:3:	3:4:3:	C[5,6a]-3:C[3x5]-4:N[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2C)(N[5]C[5]C)(H)	C[3x5](C[5,5]C[5,6a]C[5]H)(C[5,5]C[5,6a]N[5]H)(C[5,5]C[5]2H)(COO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]N[5]H)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2C)(N[5]C[5]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[3x5](C[5,5]C[5,6a]C[5]H)(C[5,5]C[5,6a]N[5]H)(C[5,5]C[5]2H)(COO){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]N[5]H)(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	104.8470	0.000	1	104.8470	0.000	1	104.8470	0.000	1	104.8470	0.000	1	103.9363	1.147	292	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[3x5]	C[5,6a]	3:4:3:4:	4:3:3:2:	3:4:3:	C[5,6a]-3:C[3x5]-4:N[5]-3:C-4:	C[5,5]-4:N[5,5]-3:N[5,5]-3:O-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]N[5,5]2O)(N[5]C[5]C)(CH3)	C[3x5](C[5,5]C[5,6a]N[5]C)(N[5,5]C[5,6a]C[5])(N[5,5]C[5]2)(OH)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5,5]C[3x5]N[5]C)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]N[5,5]2O)(N[5]C[5]C)(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[3x5](C[5,5]C[5,6a]N[5]C)(N[5,5]C[5,6a]C[5])(N[5,5]C[5]2)(OH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5,5]C[3x5]N[5]C)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	101.8310	0.000	1	101.8310	0.000	1	101.8310	0.000	1	101.8310	0.000	1	103.9363	1.147	292	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[3x5]	C[5,6a]	3:4:4:1:	4:4:3:2:	3:4:3:	C[5,6a]-3:C[3x5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:N[5]-3:O[5]-2:	C[6a,6a]-3:C[5,5]-4:C[5,6a]-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)	C[3x5](C[5,5]C[5,6a]C[5,5]H)(C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]H)(O[5]C[5,6a])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5]C[3x5]C[5]H)(C[5,6a]C[6a]O[5])	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[3x5](C[5,5]C[5,6a]C[5,5]H)(C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]H)(O[5]C[5,6a]){1|H<1>,7|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5]C[3x5]C[5]H)(C[5,6a]C[6a]O[5]){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	102.7430	0.000	1	102.7430	0.000	1	102.7430	0.000	1	102.7430	0.000	1	103.9363	1.147	292	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[3x5]	C[5,6a]	3:4:4:1:	4:4:4:3:	3:4:3:	C[5,6a]-3:C[3x5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2C)(C[5]C[5]HH)(H)	C[3x5](C[5,5]C[5,6a]C[5]H)(C[5,5]C[5,6a]N[5]H)(C[5,5]C[5]2H)(COO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2C)(C[5]C[5]HH)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[3x5](C[5,5]C[5,6a]C[5]H)(C[5,5]C[5,6a]N[5]H)(C[5,5]C[5]2H)(COO){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	104.3890	0.000	1	104.3890	0.000	1	104.6500	0.136	2	104.6500	0.136	2	103.9363	1.147	292	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[3x5]	C[5,6a]	3:4:4:1:	4:4:4:3:	3:4:3:	C[5,6a]-3:C[3x5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2C)(C[5]C[6a]O[5]O)(H)	C[3x5](C[5,5]C[5,6a]C[5]H)(C[5,5]C[5,6a]O[5]O)(C[5,5]C[5,6a]2O)(CC[6a]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2C)(C[5]C[6a]O[5]O)(H){1|H<1>,2|O<2>,6|C<3>}	C[3x5](C[5,5]C[5,6a]C[5]H)(C[5,5]C[5,6a]O[5]O)(C[5,5]C[5,6a]2O)(CC[6a]O){1|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|O<2>,4|C<3>}	104.9110	0.000	1	104.9110	0.000	1	104.6500	0.136	2	104.6500	0.136	2	103.9363	1.147	292	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[3x5]	C[5,6a]	3:4:4:2:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[3x5]-4:C[5]-4:O-2:	C[5,5]-4:N[5,5]-3:N[5,5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]N[5,5]2H)(C[5]C[5]HH)(OH)	C[3x5](C[5,5]C[5,6a]C[5]O)(N[5,5]C[5,6a]C[5])(N[5,5]C[5]2)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5,5]C[3x5]C[5]O)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]N[5,5]2H)(C[5]C[5]HH)(OH){2|H<1>,5|C<3>}	C[3x5](C[5,5]C[5,6a]C[5]O)(N[5,5]C[5,6a]C[5])(N[5,5]C[5]2)(H){1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5,5]C[3x5]C[5]O)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	100.5571	0.535	3	100.5571	0.286	3	100.5571	0.286	3	100.5571	0.286	3	103.9363	1.147	292	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[3x5]	C[5,6a]	4:3:2:2:	3:4:3:4:	3:4:3:	C[3x5]-4:C[5,6a]-3:O[5]-2:O-2:	C[5,6a]-3:C[5,5]-4:N[5,5]-3:C[5,5]-4:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[3x5]C[5,6a]C[5,5]N[5,5])(C[5,6a]C[5,6a,6a]C[6a])(O[5]C[5])(OH)	C[3x5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]O[5]O)(N[5,5]C[5,5]C[5])(C[5,5]C[5]2C)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[3x5]O[5]O)(C[6a]C[6a]H)	C[5,5](C[3x5]C[5,6a]C[5,5]N[5,5])(C[5,6a]C[5,6a,6a]C[6a])(O[5]C[5])(OH){2|H<1>,4|C<3>,4|C<4>}	C[3x5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]O[5]O)(N[5,5]C[5,5]C[5])(C[5,5]C[5]2C){3|C<3>,3|C<4>,7|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[3x5]O[5]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	104.3320	0.000	1	104.3320	0.000	1	104.3320	0.000	1	104.3320	0.000	1	103.9363	1.147	292	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[3x5]	C[5,6a]	4:3:2:2:	4:3:4:3:	4:3:3:	C[3x5]-4:C[5,6a]-3:O[5]-2:O-2:	C[5,5]-4:N[5,5]-3:C[5,5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[3x5]C[5,5]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH)	C[3x5](C[5,5]C[5,6a]O[5]O)(N[5,5]C[5,5]C[5])(C[5,5]C[5]2C)(C[5]C[5,6a]O)	C[5,6a](C[5,5]C[3x5]O[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[3x5]C[5,5]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH){1|C<2>,1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[3x5](C[5,5]C[5,6a]O[5]O)(N[5,5]C[5,5]C[5])(C[5,5]C[5]2C)(C[5]C[5,6a]O){2|C<3>,3|C<4>,6|H<1>}	C[5,6a](C[5,5]C[3x5]O[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	106.3080	0.000	1	105.2037	0.915	3	105.2037	0.915	3	105.2037	0.915	3	103.9363	1.147	292	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[3x5]	C[5,6a]	4:3:2:2:	4:3:4:3:	4:3:3:	C[3x5]-4:C[5,6a]-3:O[5]-2:O-2:	C[5,5]-4:N[5,5]-3:C[5,5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[3x5]C[5,5]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH)	C[3x5](C[5,5]C[5,6a]O[5]O)(N[5,5]C[5,5]C[5])(C[5,5]C[5]2C)(C[5]C[5,6a]O)	C[5,6a](C[5,5]C[3x5]O[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[3x5]C[5,5]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	C[3x5](C[5,5]C[5,6a]O[5]O)(N[5,5]C[5,5]C[5])(C[5,5]C[5]2C)(C[5]C[5,6a]O){2|C<3>,3|C<4>,6|H<1>}	C[5,6a](C[5,5]C[3x5]O[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	104.6515	0.026	2	105.2037	0.915	3	105.2037	0.915	3	105.2037	0.915	3	103.9363	1.147	292	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[3x5]	C[5,6a]	4:3:2:2:	4:4:3:3:	4:3:3:	C[3x5]-4:C[5,6a]-3:O[5]-2:O-2:	C[5,5]-4:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[3x5]C[5,5]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH)	C[3x5](C[5,5]C[5,6a]O[5]O)(C[5,5]C[5]2C)(C[5]C[5,6a]O)(N[5]C[5]C)	C[5,6a](C[5,5]C[3x5]O[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[3x5]C[5,5]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	C[3x5](C[5,5]C[5,6a]O[5]O)(C[5,5]C[5]2C)(C[5]C[5,6a]O)(N[5]C[5]C){1|C<4>,2|C<3>,5|H<1>}	C[5,6a](C[5,5]C[3x5]O[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	104.7580	0.000	1	104.7753	0.061	3	104.7753	0.061	3	104.7753	0.061	3	103.9363	1.147	292	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[3x5]	C[5,6a]	4:3:2:2:	4:4:3:3:	4:3:3:	C[3x5]-4:C[5,6a]-3:O[5]-2:O-2:	C[5,5]-4:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[3x5]C[5,5]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH)	C[3x5](C[5,5]C[5,6a]O[5]O)(C[5,5]C[5]2C)(C[5]C[5,6a]O)(N[5]C[5]C)	C[5,6a](C[5,5]C[3x5]O[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[3x5]C[5,5]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	C[3x5](C[5,5]C[5,6a]O[5]O)(C[5,5]C[5]2C)(C[5]C[5,6a]O)(N[5]C[5]C){3|C<3>,5|H<1>}	C[5,6a](C[5,5]C[3x5]O[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	104.7840	0.348	2	104.7753	0.061	3	104.7753	0.061	3	104.7753	0.061	3	103.9363	1.147	292	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[3x5]	C[5,6a]	4:3:3:1:	3:4:4:4:	3:4:3:	C[3x5]-4:C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(H)	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5,5]C[5,6a]N[5]H)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]H)	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(H){1|N<3>,4|C<3>,4|H<1>}	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5,5]C[5,6a]N[5]H)(C[5]O[5]HH){1|H<1>,1|O<1>,1|S<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	105.6360	0.000	1	105.6360	0.000	1	105.6360	0.000	1	105.1790	0.418	2	103.9363	1.147	292	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[3x5]	C[5,6a]	4:3:3:1:	3:4:4:4:	3:4:3:	C[3x5]-4:C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]S)(H)	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5,5]C[5,6a]N[5]H)(C[5]O[5]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]N[5]H)(C[6a]C[6a]H)	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]S)(H){1|O<2>,4|H<1>,5|C<3>}	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5,5]C[5,6a]N[5]H)(C[5]O[5]HH){1|H<1>,1|O<1>,1|S<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]N[5]H)(C[6a]C[6a]H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	104.7220	0.000	1	104.7220	0.000	1	104.7220	0.000	1	105.1790	0.418	2	103.9363	1.147	292	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[3x5]	C[5,6a]	4:3:3:2:	4:3:4:3:	3:4:3:	C[3x5]-4:C[5,6a]-3:N[5,6]-3:O-2:	C[5,5,6]-4:C[5,6a]-3:C[5,5]-4:N[5,5]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[3x5]C[5,5,6]C[5,6a]N[5,5])(C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6]C[6])(OH)	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5,6]O)(N[5,5]C[5,5]C[5])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[3x5]N[5,6]O)(C[6a]C[6a]H)	C[5,5](C[3x5]C[5,5,6]C[5,6a]N[5,5])(C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6]C[6])(OH){3|C<4>,5|C<3>,5|H<1>}	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5,6]O)(N[5,5]C[5,5]C[5]){1|O<1>,1|S<2>,2|C<4>,5|C<3>,7|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[3x5]N[5,6]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	104.9127	0.182	3	105.0810	0.135	4	105.0810	0.135	4	105.0248	0.087	9	103.9363	1.147	292	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[3x5]	C[5,6a]	4:3:3:2:	4:3:4:3:	3:4:3:	C[3x5]-4:C[5,6a]-3:N[5,6]-3:O-2:	C[5,5,6]-4:C[5,6a]-3:C[5,5]-4:N[5,5]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[3x5]C[5,5,6]C[5,6a]N[5,5])(C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6]C[6])(OH)	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5,6]O)(N[5,5]C[5,5]C[5])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[3x5]N[5,6]O)(C[6a]C[6a]H)	C[5,5](C[3x5]C[5,5,6]C[5,6a]N[5,5])(C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6]C[6])(OH){3|C<4>,5|C<3>,5|H<1>}	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5,6]O)(N[5,5]C[5,5]C[5]){1|O<1>,3|C<4>,5|C<3>,7|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[3x5]N[5,6]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	105.5860	0.000	1	105.0810	0.135	4	105.0810	0.135	4	105.0248	0.087	9	103.9363	1.147	292	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[3x5]	C[5,6a]	4:3:3:2:	4:3:4:3:	3:4:3:	C[3x5]-4:C[5,6a]-3:N[5,6]-3:O-2:	C[5,5,6]-4:C[5,6a]-3:C[5,5]-4:N[5]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[3x5]C[5,5,6]C[5,6a]N[5])(C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6]C[6])(OH)	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5,6]O)(N[5]C[5]C)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[3x5]N[5,6]O)(C[6a]C[6a]H)	C[5,5](C[3x5]C[5,5,6]C[5,6a]N[5])(C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6]C[6])(OH){3|C<4>,5|C<3>,5|H<1>}	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5,6]O)(N[5]C[5]C){1|C<4>,1|O<1>,5|C<3>,6|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[3x5]N[5,6]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	105.0780	0.420	2	105.0780	0.176	2	104.9798	0.066	5	105.0248	0.087	9	103.9363	1.147	292	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[3x5]	C[5,6a]	4:3:3:2:	4:3:4:3:	3:4:3:	C[3x5]-4:C[5,6a]-3:N[5,6]-3:O-2:	C[5,5,6]-4:C[5,6a]-3:C[5,5]-4:N[5]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[3x5]C[5,5,6]C[5,6a]N[5])(C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6]C[6])(OH)	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5,6]O)(N[5]C[5]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[3x5]N[5,6]O)(C[6a]C[6a]H)	C[5,5](C[3x5]C[5,5,6]C[5,6a]N[5])(C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6]C[6])(OH){2|C<4>,5|C<3>,6|H<1>}	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5,6]O)(N[5]C[5]H){1|C<4>,1|O<1>,5|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[3x5]N[5,6]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	104.9143	0.167	3	104.9143	0.028	3	104.9798	0.066	5	105.0248	0.087	9	103.9363	1.147	292	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[3x5]	C[5,6a]	4:3:3:2:	4:4:3:3:	4:3:3:	C[3x5]-4:C[5,6a]-3:N[5,6]-3:O-2:	C[5,5,6]-4:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[3x5]C[5,5,6]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(OH)	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5,6a]N[5,6]O)(C[5]C[5,6a]O)(N[5]C[5]C)	C[5,6a](C[5,5]C[3x5]N[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[3x5]C[5,5,6]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(OH){1|O<1>,3|C<4>,4|C<3>,5|H<1>}	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5,6a]N[5,6]O)(C[5]C[5,6a]O)(N[5]C[5]C){1|C<4>,1|O<1>,4|C<3>,5|H<1>}	C[5,6a](C[5,5]C[3x5]N[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	104.8213	0.438	3	104.8213	0.192	3	104.8552	0.119	5	104.9017	0.108	6	103.9363	1.147	292	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[3x5]	C[5,6a]	4:3:3:2:	4:4:3:3:	4:3:3:	C[3x5]-4:C[5,6a]-3:N[5,6]-3:O-2:	C[5,5,6]-4:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[3x5]C[5,5,6]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(OH)	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5,6a]N[5,6]O)(C[5]C[5,6a]O)(N[5]C[5]H)	C[5,6a](C[5,5]C[3x5]N[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[3x5]C[5,5,6]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(OH){1|O<1>,2|C<4>,4|C<3>,6|H<1>}	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5,6a]N[5,6]O)(C[5]C[5,6a]O)(N[5]C[5]H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[5,6a](C[5,5]C[3x5]N[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	104.9060	0.290	2	104.9060	0.084	2	104.8552	0.119	5	104.9017	0.108	6	103.9363	1.147	292	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[3x5]	C[5,6a]	4:3:3:2:	4:4:3:3:	4:3:3:	C[3x5]-4:C[5,6a]-3:N[5,6]-3:O-2:	C[5,5,6]-4:C[5,5]-4:N[5,5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[3x5]C[5,5,6]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(OH)	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5,6a]N[5,6]O)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)	C[5,6a](C[5,5]C[3x5]N[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[3x5]C[5,5,6]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(OH){1|O<1>,3|C<4>,4|C<3>,5|H<1>}	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5,6a]N[5,6]O)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O){1|O<1>,3|C<4>,4|C<3>,6|H<1>}	C[5,6a](C[5,5]C[3x5]N[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	105.1340	0.000	1	105.1340	0.000	1	105.1340	0.000	1	104.9017	0.108	6	103.9363	1.147	292	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[3x5]	C[5,6a]	4:3:3:3:	4:4:2:3:	4:3:3:	C[3x5]-4:C[5,6a]-3:N[5]-3:N-3:	C[3x5]-4:C[5,5]-4:S[5]-2:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[3x5]C[3x5]C[5]S[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(NHH)	C[3x5](C[3x5]C[5,5]C[5]S[5])(C[5,5]C[5,6a]N[5]N)(S[5]C[5,6a])(C[5]N[5]O)	C[5,6a](C[5,5]C[3x5]N[5]N)(C[5,6a]N[6a]S[5])(C[6a]C[6a]C)	C[5,5](C[3x5]C[3x5]C[5]S[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(NHH){1|N<2>,1|N<3>,1|S<2>,2|C<4>,2|O<1>,3|C<3>}	C[3x5](C[3x5]C[5,5]C[5]S[5])(C[5,5]C[5,6a]N[5]N)(S[5]C[5,6a])(C[5]N[5]O){1|N<2>,1|N<3>,1|O<1>,5|C<3>}	C[5,6a](C[5,5]C[3x5]N[5]N)(C[5,6a]N[6a]S[5])(C[6a]C[6a]C){1|C<4>,1|H<1>,4|C<3>}	106.9825	0.081	2	106.9825	0.007	2	106.9825	0.007	2	106.9825	0.007	2	103.9363	1.147	292	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[3x5]	C[5,6a]	4:3:4:1:	4:3:4:1:	3:4:3:	C[3x5]-4:C[5,6a]-3:C[5]-4:H-1:	C[5,5]-4:N[5,5]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[3x5]C[5,5]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)	C[3x5](C[5,5]C[5,6a]C[5]H)(N[5,5]C[5,6a]C[5])(C[5,5]C[5]2H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]H)	C[5,5](C[3x5]C[5,5]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H){1|C<4>,3|C<3>,4|H<1>}	C[3x5](C[5,5]C[5,6a]C[5]H)(N[5,5]C[5,6a]C[5])(C[5,5]C[5]2H)(H){1|O<1>,2|C<3>,6|H<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	102.9160	0.065	2	102.9160	0.004	2	102.9160	0.004	2	102.9160	0.004	2	103.9363	1.147	292	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[3x5]	C[5,6a]	4:3:4:1:	4:4:3:2:	4:3:3:	C[3x5]-4:C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5,5]-4:N[5]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[3x5]C[5,5]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(H)	C[3x5](C[5,5]C[5,6a]C[5,5]H)(C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]H)(O[5]C[5,6a])	C[5,6a](C[5,5]C[3x5]C[5,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[3x5]C[5,5]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(H){1|N<3>,1|O<1>,4|H<1>,7|C<3>}	C[3x5](C[5,5]C[5,6a]C[5,5]H)(C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]H)(O[5]C[5,6a]){1|H<1>,7|C<3>}	C[5,6a](C[5,5]C[3x5]C[5,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	104.2010	0.000	1	104.2010	0.000	1	104.2010	0.000	1	104.2010	0.000	1	103.9363	1.147	292	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[3x5]	C[5,6a]	4:3:4:2:	3:4:3:4:	3:4:3:	C[3x5]-4:C[5,6a]-3:C[5]-4:C-2:	C[5,6a]-3:C[5,5]-4:N[5,5]-3:C[5]-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[3x5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CN)	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(N[5,5]C[5,6a]C[5])(C[5]C[5]HH)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5,5]C[3x5]C[5]C)(C[6a]C[6a]H)	C[5,5](C[3x5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CN){5|C<3>,5|H<1>}	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(N[5,5]C[5,6a]C[5])(C[5]C[5]HH){1|O<1>,4|C<3>,5|H<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5,5]C[3x5]C[5]C)(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	101.8910	0.000	1	101.8910	0.000	1	101.8910	0.000	1	101.8910	0.000	1	103.9363	1.147	292	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[3x5]	C[5,6a]	4:3:4:2:	4:3:4:3:	3:4:3:	C[3x5]-4:C[5,6a]-3:C[5,6]-4:O-2:	C[5,5,6]-4:C[5,6a]-3:C[5,5]-4:N[5]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-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)	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5,6]O)(N[5]C[5]C)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[3x5]C[5,6]O)(C[6a]C[6a]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){1|N<2>,3|C<4>,3|H<1>,5|C<3>}	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5,6]O)(N[5]C[5]C){1|O<1>,6|C<3>,7|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[3x5]C[5,6]O)(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	105.0070	0.000	1	105.0070	0.000	1	105.0070	0.000	1	105.0070	0.000	1	103.9363	1.147	292	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[3x5]	C[5,6a]	4:3:4:2:	4:4:3:3:	4:3:3:	C[3x5]-4:C[5,6a]-3:C[5,6]-4:O-2:	C[5,5,6]-4:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[3x5]C[5,5,6]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(OH)	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5,6a]C[5,6]O)(C[5]C[5,6a]O)(N[5]C[5]C)	C[5,6a](C[5,5]C[3x5]C[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[3x5]C[5,5,6]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(OH){1|N<3>,2|C<3>,2|O<1>,3|H<1>,4|C<4>}	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5,6a]C[5,6]O)(C[5]C[5,6a]O)(N[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,2|C<3>,7|H<1>}	C[5,6a](C[5,5]C[3x5]C[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	104.6880	0.305	2	104.6880	0.093	2	104.6880	0.093	2	104.7918	0.136	5	103.9363	1.147	292	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[3x5]	C[5,6a]	4:3:4:2:	4:4:3:3:	4:3:3:	C[3x5]-4:C[5,6a]-3:C[5,6]-4:O-2:	C[5,5,6]-4:C[5,5]-4:N[5,5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[3x5]C[5,5,6]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(OH)	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5,6a]C[5,6]O)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)	C[5,6a](C[5,5]C[3x5]C[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[3x5]C[5,5,6]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(OH){1|N<3>,2|C<3>,2|O<1>,3|H<1>,4|C<4>}	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5,6a]C[5,6]O)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O){1|N<3>,1|O<1>,3|C<3>,3|C<4>,7|H<1>}	C[5,6a](C[5,5]C[3x5]C[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	104.8610	0.456	3	104.8610	0.207	3	104.8610	0.207	3	104.7918	0.136	5	103.9363	1.147	292	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[4x5]	C[5,6a]	3:3:4:1:	4:4:4:4:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[4x5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:C[5,5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[4x5]C[5,5]3)(H)	C[4x5](C[5,5]C[5,6a]C[5]H)2(C[5,5]C[5,6a]2H)2	C[5,6a](C[5,5]C[5,6a]C[4x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[4x5]C[5,5]3)(H){1|O<2>,4|H<1>,8|C<3>}	C[4x5](C[5,5]C[5,6a]C[5]H)2(C[5,5]C[5,6a]2H)2{2|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[4x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	104.1995	0.206	2	104.1995	0.042	2	104.2328	0.051	4	104.2328	0.051	4	104.1472	0.048	6	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[4x5]	C[5,6a]	3:3:4:1:	4:4:4:4:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[4x5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:C[5,5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[4x5]C[5,5]3)(H)	C[4x5](C[5,5]C[5,6a]C[5]H)2(C[5,5]C[5,6a]2H)2	C[5,6a](C[5,5]C[5,6a]C[4x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[4x5]C[5,5]3)(H){1|O<2>,4|H<1>,8|C<3>}	C[4x5](C[5,5]C[5,6a]C[5]H)2(C[5,5]C[5,6a]2H)2{2|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[4x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	104.2660	0.324	2	104.2660	0.105	2	104.2328	0.051	4	104.2328	0.051	4	104.1472	0.048	6	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[4x5]	C[5,6a]	3:4:3:1:	4:4:4:4:	3:4:3:	C[5,6a]-3:C[4x5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:C[5,5]-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[4x5]C[5,5]3)(C[5]C[5]H)(H)	C[4x5](C[5,5]C[5,6a]C[5]H)2(C[5,5]C[5,6a]2H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[4x5]C[5]H)(C[6a]C[6a]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[4x5]C[5,5]3)(C[5]C[5]H)(H){1|O<2>,4|H<1>,6|C<3>}	C[4x5](C[5,5]C[5,6a]C[5]H)2(C[5,5]C[5,6a]2H)2{2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[4x5]C[5]H)(C[6a]C[6a]O){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	103.9760	0.018	2	103.9760	0.000	2	103.9760	0.000	2	103.9760	0.000	2	104.1472	0.048	6	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5,3x6]	C[5,6a]	4:3:4:1:	3:4:3:4:	4:3:3:	C[5,5,3x6]-4:C[5,6a]-3:C[5]-4:O-1:	N[5,6,6]-3:C[5,5]-4:N[5,6,6]-3:C[6,6]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5,3x6]N[5,6,6]2C[6,6])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O)	C[5,5,3x6](N[5,6,6]C[5,6a]C[6,6])(C[5,5]C[5,6a]C[5]O)(N[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]CC)	C[5,6a](C[5,5]C[5,5,3x6]C[5]O)(C[5,6a]N[5,6,6]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,5,3x6]N[5,6,6]2C[6,6])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){2|C<4>,3|H<1>,5|C<3>}	C[5,5,3x6](N[5,6,6]C[5,6a]C[6,6])(C[5,5]C[5,6a]C[5]O)(N[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]CC){1|C<4>,2|C<3>,2|O<1>,6|H<1>}	C[5,6a](C[5,5]C[5,5,3x6]C[5]O)(C[5,6a]N[5,6,6]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	101.4740	0.000	1	101.4740	0.000	1	101.4740	0.000	1	101.4740	0.000	1	101.4740	0.000	1	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5,6,6]	C[5,6a]	3:4:2:1:	4:4:4:1:	3:4:3:	C[5,6a]-3:C[5,5,6,6]-4:O[5]-2:H-1:	C[5,3x6]-4:C[5,3x6]-4:C[5,5]-4:H-1:	C[5,6,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6,6a]C[6a])(C[5,5,6,6]C[5,3x6]2H)(O[5]C[5,6,6])(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)	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[5,5]C[5,5,6,6]O[5]H)(C[6a]C[6a]C)	C[5,5](C[5,6a]C[5,6,6a]C[6a])(C[5,5,6,6]C[5,3x6]2H)(O[5]C[5,6,6])(H){1|O<2>,2|C<3>,3|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>}	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[5,5]C[5,5,6,6]O[5]H)(C[6a]C[6a]C){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	105.1500	0.000	1	105.1500	0.000	1	105.1500	0.000	1	105.1500	0.000	1	101.4570	2.835	22	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5,6,6]	C[5,6a]	4:3:3:1:	4:3:3:4:	4:3:3:	C[5,5,6,6]-4:C[5,6a]-3:C[5]-3:H-1:	C[5,5]-4:N[5,6]-3:N[5,6]-3:C[6,6]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,5,6,6](C[5,5]C[5,6a]C[5]H)(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)	C[5,6a](C[5,5]C[5,5,6,6]C[5]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	C[5,5,6,6](C[5,5]C[5,6a]C[5]H)(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C){2|C<3>,2|C<4>,3|O<1>,6|H<1>}	C[5,6a](C[5,5]C[5,5,6,6]C[5]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	101.4370	0.000	1	101.4370	0.000	1	101.4370	0.000	1	101.4370	0.000	1	101.4570	2.835	22	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5,6,6]	C[5,6a]	4:3:3:2:	4:4:4:3:	4:3:3:	C[5,5,6,6]-4:C[5,6a]-3:C[5,6a]-3:O-2:	C[5,3x6]-4:C[5,6,6]-4:C[5,5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5,6,6]C[5,3x6]C[5,6,6]C[5])(C[5,6a]C[5,6a]C[6a])2(OH)	C[5,5,6,6](C[5,3x6]C[5,6,6]2C[5,6a])(C[5,6,6]C[5,3x6]C[5,6a]H)(C[5,5]C[5,6a]2O)(C[5]C[5,6a]O)	C[5,6a](C[5,5]C[5,5,6,6]C[5,6a]O)(C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,5,6,6]C[5,3x6]C[5,6,6]C[5])(C[5,6a]C[5,6a]C[6a])2(OH){1|O<1>,2|C<4>,3|H<1>,6|C<3>}	C[5,5,6,6](C[5,3x6]C[5,6,6]2C[5,6a])(C[5,6,6]C[5,3x6]C[5,6a]H)(C[5,5]C[5,6a]2O)(C[5]C[5,6a]O){10|C<3>,1|C<4>,1|H<1>}	C[5,6a](C[5,5]C[5,5,6,6]C[5,6a]O)(C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	102.6400	0.000	1	102.6400	0.000	1	103.5500	1.656	2	103.5500	1.656	2	101.4570	2.835	22	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5,6,6]	C[5,6a]	4:3:3:2:	4:4:4:3:	4:3:3:	C[5,5,6,6]-4:C[5,6a]-3:C[5,6a]-3:O-2:	C[5,3x6]-4:C[5,6,6]-4:C[5,5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5,6,6]C[5,3x6]C[5,6,6]C[5])(C[5,6a]C[5,6a]C[6a])2(OH)	C[5,5,6,6](C[5,3x6]C[5,6,6]2C[5,6a])(C[5,6,6]C[5,3x6]C[5,6a]H)(C[5,5]C[5,6a]2O)(C[5]C[5,6a]O)	C[5,6a](C[5,5]C[5,5,6,6]C[5,6a]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,5,6,6]C[5,3x6]C[5,6,6]C[5])(C[5,6a]C[5,6a]C[6a])2(OH){1|O<1>,2|C<4>,3|H<1>,6|C<3>}	C[5,5,6,6](C[5,3x6]C[5,6,6]2C[5,6a])(C[5,6,6]C[5,3x6]C[5,6a]H)(C[5,5]C[5,6a]2O)(C[5]C[5,6a]O){10|C<3>,1|C<4>,1|H<1>}	C[5,6a](C[5,5]C[5,5,6,6]C[5,6a]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	104.4600	0.000	1	104.4600	0.000	1	103.5500	1.656	2	103.5500	1.656	2	101.4570	2.835	22	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5,6,6]	C[5,6a]	4:3:4:1:	4:3:3:4:	4:3:3:	C[5,5,6,6]-4:C[5,6a]-3:C[5]-4:Cl-1:	C[5,5]-4:N[5,6]-3:N[5,6]-3:C[6,6]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(Cl)	C[5,5,6,6](C[5,5]C[5,6a]C[5]Cl)(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)	C[5,6a](C[5,5]C[5,5,6,6]C[5]Cl)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(Cl){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	C[5,5,6,6](C[5,5]C[5,6a]C[5]Cl)(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C){2|C<3>,2|C<4>,2|O<1>,8|H<1>}	C[5,6a](C[5,5]C[5,5,6,6]C[5]Cl)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	101.3080	0.000	1	101.3080	0.000	1	101.3080	0.000	1	100.9744	0.210	9	101.4570	2.835	22	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5,6,6]	C[5,6a]	4:3:4:1:	4:3:3:4:	4:3:3:	C[5,5,6,6]-4:C[5,6a]-3:C[5]-4:H-1:	C[5,5]-4:N[5,6]-3:N[5,6]-3:C[6,6]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)	C[5,5,6,6](C[5,5]C[5,6a]C[5]H)(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)	C[5,6a](C[5,5]C[5,5,6,6]C[5]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	C[5,5,6,6](C[5,5]C[5,6a]C[5]H)(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C){2|C<3>,2|C<4>,2|O<1>,8|H<1>}	C[5,6a](C[5,5]C[5,5,6,6]C[5]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	100.8570	0.000	1	101.1690	0.073	3	100.9327	0.223	8	100.9744	0.210	9	101.4570	2.835	22	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5,6,6]	C[5,6a]	4:3:4:1:	4:3:3:4:	4:3:3:	C[5,5,6,6]-4:C[5,6a]-3:C[5]-4:H-1:	C[5,5]-4:N[5,6]-3:N[5,6]-3:C[6,6]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)	C[5,5,6,6](C[5,5]C[5,6a]C[5]H)(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)	C[5,6a](C[5,5]C[5,5,6,6]C[5]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	C[5,5,6,6](C[5,5]C[5,6a]C[5]H)(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C){2|C<3>,2|C<4>,2|O<1>,8|H<1>}	C[5,6a](C[5,5]C[5,5,6,6]C[5]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	101.3250	0.000	2	101.1690	0.073	3	100.9327	0.223	8	100.9744	0.210	9	101.4570	2.835	22	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5,6,6]	C[5,6a]	4:3:4:1:	4:3:3:4:	4:3:3:	C[5,5,6,6]-4:C[5,6a]-3:C[5]-4:H-1:	C[5,5]-4:N[5,6]-3:N[5,6]-3:C[6,6]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)	C[5,5,6,6](C[5,5]C[5,6a]C[5]H)(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)	C[5,6a](C[5,5]C[5,5,6,6]C[5]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	C[5,5,6,6](C[5,5]C[5,6a]C[5]H)(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C){1|O<2>,2|C<3>,2|C<4>,2|O<1>,7|H<1>}	C[5,6a](C[5,5]C[5,5,6,6]C[5]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	100.7910	0.535	5	100.7910	0.286	5	100.9327	0.223	8	100.9744	0.210	9	101.4570	2.835	22	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5,6,6]	C[5,6a]	4:3:4:2:	4:3:3:4:	4:3:3:	C[5,5,6,6]-4:C[5,6a]-3:C[5]-4:O-2:	C[5,5]-4:N[5,6]-3:N[5,6]-3:C[6,6]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)	C[5,5,6,6](C[5,5]C[5,6a]C[5]O)(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)	C[5,6a](C[5,5]C[5,5,6,6]C[5]O)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	C[5,5,6,6](C[5,5]C[5,6a]C[5]O)(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C){2|C<3>,2|C<4>,2|O<1>,8|H<1>}	C[5,6a](C[5,5]C[5,5,6,6]C[5]O)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	100.0943	0.306	7	100.6382	2.447	8	100.6382	2.447	8	100.6382	2.447	8	101.4570	2.835	22	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5,6,6]	C[5,6a]	4:3:4:2:	4:3:3:4:	4:3:3:	C[5,5,6,6]-4:C[5,6a]-3:C[5]-4:O-2:	C[5,5]-4:N[5,6]-3:N[5,6]-3:C[6,6]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)	C[5,5,6,6](C[5,5]C[5,6a]C[5]O)(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)	C[5,6a](C[5,5]C[5,5,6,6]C[5]O)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH){3|C<3>,3|H<1>,4|C<4>}	C[5,5,6,6](C[5,5]C[5,6a]C[5]O)(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C){10|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5,6,6]C[5]O)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	104.4460	0.000	1	100.6382	2.447	8	100.6382	2.447	8	100.6382	2.447	8	101.4570	2.835	22	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5,6,6]	C[5,6a]	4:3:4:2:	4:3:4:3:	4:3:3:	C[5,5,6,6]-4:C[5,6a]-3:C[5]-4:O-2:	C[5,5]-4:N[5,6]-3:C[6,6]-4:N[5,6]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)	C[5,5,6,6](C[5,5]C[5,6a]C[5]O)(N[5,6]C[5,6a]C[6])(C[6,6]C[6,6]CH)(N[5,6]C[5]C[6])	C[5,6a](C[5,5]C[5,5,6,6]C[5]O)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH){2|C<4>,4|C<3>,4|H<1>}	C[5,5,6,6](C[5,5]C[5,6a]C[5]O)(N[5,6]C[5,6a]C[6])(C[6,6]C[6,6]CH)(N[5,6]C[5]C[6]){1|O<1>,2|C<3>,2|C<4>,7|H<1>}	C[5,6a](C[5,5]C[5,5,6,6]C[5]O)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	104.4900	0.000	1	104.4900	0.000	1	104.4900	0.000	1	104.4900	0.000	1	101.4570	2.835	22	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5,6]	C[5,5a]	4:3:3:1:	4:4:4:4:	4:3:2:	C[5,5,6]-4:C[5,5a]-3:N[5]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,5]-4:C[5,5a]-3:O[5a]-2:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5a]C[5,5a]O[5a])(N[5]C[5]C)(H)	C[5,5,6](C[5,5]C[5,5a]N[5]H)(C[5,6]C[5,5a]C[6]H)(C[5]C[5]HH)(C[6]N[6]HH)	C[5,5a](C[5,5]C[5,5,6]N[5]H)(C[5,5a]C[5,6]C[5a])(O[5a]C[5a])	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5a]C[5,5a]O[5a])(N[5]C[5]C)(H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C[5,5,6](C[5,5]C[5,5a]N[5]H)(C[5,6]C[5,5a]C[6]H)(C[5]C[5]HH)(C[6]N[6]HH){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5,5a](C[5,5]C[5,5,6]N[5]H)(C[5,5a]C[5,6]C[5a])(O[5a]C[5a]){1|C<3>,3|H<1>,4|C<4>}	100.2760	0.000	1	100.3554	0.339	3	100.3554	0.339	3	100.3554	0.339	3	100.3554	0.339	3	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5,6]	C[5,5a]	4:3:3:1:	4:4:4:4:	4:3:2:	C[5,5,6]-4:C[5,5a]-3:N[5]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,5]-4:C[5,5a]-3:O[5a]-2:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5a]C[5,5a]O[5a])(N[5]C[5]C)(H)	C[5,5,6](C[5,5]C[5,5a]N[5]H)(C[5,6]C[5,5a]C[6]H)(C[5]C[5]HH)(C[6]N[6]HH)	C[5,5a](C[5,5]C[5,5,6]N[5]H)(C[5,5a]C[5,6]C[5a])(O[5a]C[5a])	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5a]C[5,5a]O[5a])(N[5]C[5]C)(H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[5,5,6](C[5,5]C[5,5a]N[5]H)(C[5,6]C[5,5a]C[6]H)(C[5]C[5]HH)(C[6]N[6]HH){1|C<4>,1|S<4>,2|H<1>,2|O<2>,3|C<3>}	C[5,5a](C[5,5]C[5,5,6]N[5]H)(C[5,5a]C[5,6]C[5a])(O[5a]C[5a]){1|C<3>,3|H<1>,4|C<4>}	99.8173	0.000	1	100.3554	0.339	3	100.3554	0.339	3	100.3554	0.339	3	100.3554	0.339	3	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5,6]	C[5,5a]	4:3:3:1:	4:4:4:4:	4:3:2:	C[5,5,6]-4:C[5,5a]-3:N[5]-3:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,5]-4:C[5,5a]-3:O[5a]-2:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5a]C[5,5a]O[5a])(N[5]C[5]C)(H)	C[5,5,6](C[5,5]C[5,5a]N[5]H)(C[5,6]C[5,5a]C[6]H)(C[5]C[5]HH)(C[6]N[6]HH)	C[5,5a](C[5,5]C[5,5,6]N[5]H)(C[5,5a]C[5,6]C[5a])(O[5a]C[5a])	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5a]C[5,5a]O[5a])(N[5]C[5]C)(H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[5,5,6](C[5,5]C[5,5a]N[5]H)(C[5,6]C[5,5a]C[6]H)(C[5]C[5]HH)(C[6]N[6]HH){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,5a](C[5,5]C[5,5,6]N[5]H)(C[5,5a]C[5,6]C[5a])(O[5a]C[5a]){1|C<3>,2|H<1>,5|C<4>}	100.9730	0.000	1	100.3554	0.339	3	100.3554	0.339	3	100.3554	0.339	3	100.3554	0.339	3	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5,6]	C[5,6a]	3:4:2:1:	4:4:3:3:	4:3:3:	C[5,6a]-3:C[5,5,6]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,6]2C)(O[5]C[5])(H)	C[5,5,6](C[5,5]C[5,6a]O[5]H)(C[5,6]C[6,6a]C[5]O)(C[5,6]C[5,6a]C[6])(COO)	C[5,6a](C[5,5]C[5,5,6]O[5]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,6]2C)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5,5,6](C[5,5]C[5,6a]O[5]H)(C[5,6]C[6,6a]C[5]O)(C[5,6]C[5,6a]C[6])(COO){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5,6]O[5]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	104.8070	0.337	2	104.8070	0.113	2	104.8070	0.113	2	104.8070	0.113	2	103.5437	2.681	16	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5,6]	C[5,6a]	3:4:3:2:	4:4:4:1:	4:3:3:	C[5,6a]-3:C[5,5,6]-4:C[5]-3:O-2:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,6]2H)(C[5]C[5]N)(OH)	C[5,5,6](C[5,5]C[5,6a]C[5]O)(C[5,6]C[5,6a]C[6]H)(C[5,6]C[5]C[6]H)(H)	C[5,6a](C[5,5]C[5,5,6]C[5]O)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,6]2H)(C[5]C[5]N)(OH){1|C<4>,3|C<3>,5|H<1>}	C[5,5,6](C[5,5]C[5,6a]C[5]O)(C[5,6]C[5,6a]C[6]H)(C[5,6]C[5]C[6]H)(H){1|N<2>,4|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,5,6]C[5]O)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<2>,3|C<4>,4|H<1>}	104.6070	0.000	1	104.6070	0.000	1	104.6070	0.000	1	104.7795	0.060	2	103.5437	2.681	16	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5,6]	C[5,6a]	3:4:3:2:	4:4:4:1:	4:3:3:	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[5,6a]-3:C[6a]-3:	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[5,6a](C[5,5]C[5,5,6]C[6a]O[5])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	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[5,6a](C[5,5]C[5,5,6]C[6a]O[5])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<4>,3|C<3>,4|H<1>}	104.9520	0.000	1	104.9520	0.000	1	104.9520	0.000	1	104.7795	0.060	2	103.5437	2.681	16	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5,6]	C[5,6a]	3:4:4:1:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5,5,6]-4:C[5]-4:H-1:	C[5,5]-4:N[5,6]-3:N[5,6]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]N[5,6]2H)(C[5]C[5]HH)(H)	C[5,5,6](C[5,5]C[5,6a]C[5]H)(N[5,6]C[5,6a]C[6])(N[5,6]C[6,6a]C[5])(H)	C[5,6a](C[5,5]C[5,5,6]C[5]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]N[5,6]2H)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,5,6](C[5,5]C[5,6a]C[5]H)(N[5,6]C[5,6a]C[6])(N[5,6]C[6,6a]C[5])(H){2|H<1>,2|O<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5,6]C[5]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,5|H<1>}	102.6090	0.000	1	102.6090	0.000	1	102.6090	0.000	1	102.6090	0.000	1	103.5437	2.681	16	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5,6]	C[5,6a]	3:4:4:1:	4:4:4:1:	4:3:3:	C[5,6a]-3:C[5,5,6]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,6]2H)(C[5]C[5,6]C[6a]H)(H)	C[5,5,6](C[5,5]C[5,6a]C[5]H)(C[5,6]C[5,6a]C[6]H)(C[5,6]C[5,6]HH)(H)	C[5,6a](C[5,5]C[5,5,6]C[5]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]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){5|H<1>,6|C<3>}	C[5,5,6](C[5,5]C[5,6a]C[5]H)(C[5,6]C[5,6a]C[6]H)(C[5,6]C[5,6]HH)(H){3|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5,6]C[5]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,5|H<1>}	103.7140	0.000	1	103.7140	0.000	1	103.7140	0.000	1	103.7140	0.000	1	103.5437	2.681	16	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5,6]	C[5,6a]	3:4:4:1:	4:4:4:4:	4:3:3:	C[5,6a]-3:C[5,5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,6]2C)(C[5]C[5,6]HH)(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[5,6a](C[5,5]C[5,5,6]C[5]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,6]2C)(C[5]C[5,6]HH)(H){4|H<1>,5|C<3>}	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[5,6a](C[5,5]C[5,5,6]C[5]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|C<3>,3|C<4>,5|H<1>}	103.7100	0.000	1	103.7100	0.000	1	103.7100	0.000	1	103.7100	0.000	1	103.5437	2.681	16	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5,6]	C[5,6a]	3:4:4:2:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5,5,6]-4:C[5]-4:O-2:	C[5,5]-4:N[5,6]-3:N[5,6]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]N[5,6]2H)(C[5]C[5]HH)(OH)	C[5,5,6](C[5,5]C[5,6a]C[5]O)(N[5,6]C[5,6a]C[6])(N[5,6]C[6,6a]C[5])(H)	C[5,6a](C[5,5]C[5,5,6]C[5]O)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]N[5,6]2H)(C[5]C[5]HH)(OH){1|H<1>,1|O<1>,4|C<3>}	C[5,5,6](C[5,5]C[5,6a]C[5]O)(N[5,6]C[5,6a]C[6])(N[5,6]C[6,6a]C[5])(H){2|H<1>,2|O<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5,6]C[5]O)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,5|H<1>}	102.1220	0.000	1	102.1220	0.000	1	102.1220	0.000	1	102.1220	0.000	1	103.5437	2.681	16	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5,6]	C[5,6a]	4:3:2:1:	4:4:2:3:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:O[5]-2:H-1:	C[5,6,6]-4:C[5,5]-4:O[5]-2:C[6]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5,6]C[5,6,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,5]C[5,6a]O[5]H)(O[5]C[5,6a])(C[6]C[6]C)	C[5,6a](C[5,5]C[5,5,6]O[5]H)(C[5,6a]C[6a]O[5])(C[6a]O[6a]O)	C[5,5](C[5,5,6]C[5,6,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H){1|H<1>,1|O<1>,2|C<3>,2|O<2>,3|C<4>}	C[5,5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,5]C[5,6a]O[5]H)(O[5]C[5,6a])(C[6]C[6]C){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[5,6a](C[5,5]C[5,5,6]O[5]H)(C[5,6a]C[6a]O[5])(C[6a]O[6a]O){2|C<3>,3|C<4>}	100.5950	0.000	1	100.5950	0.000	1	100.5950	0.000	1	100.5950	0.000	1	103.5437	2.681	16	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5,6]	C[5,6a]	4:3:2:2:	4:3:4:1:	3:3:4:	C[5,5,6]-4:C[5,6a]-3:O[5]-2:O-2:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,5]-4:H-1:	C[5,6a,6a]-3:C[5a,6a]-3:C[5,5]-4:	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6,6a]H)(C[5,6a]C[5,6a,6a]C[5a,6a])(O[5]C[5,5,6])(OH)	C[5,5,6](C[5,5,6,6]C[5,6,6a]C[5,5,6]N[6])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,5]C[5,6a]O[5]O)(H)	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[5,5]C[5,5,6]O[5]O)	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6,6a]H)(C[5,6a]C[5,6a,6a]C[5a,6a])(O[5]C[5,5,6])(OH){2|N<3>,6|C<3>}	C[5,5,6](C[5,5,6,6]C[5,6,6a]C[5,5,6]N[6])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,5]C[5,6a]O[5]O)(H){1|H<1>,1|N<3>,7|C<3>}	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[5,5]C[5,5,6]O[5]O){1|H<1>,2|C<4>,6|C<3>}	107.3290	0.000	1	107.3290	0.000	1	107.3290	0.000	1	107.3290	0.000	1	103.5437	2.681	16	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5,6]	C[5,6a]	4:3:2:4:	4:4:3:4:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:O[5]-2:C-4:	C[5,5]-4:C[5,6]-4:N[5]-3:C[6]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5,6]C[5,6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)	C[5,5,6](C[5,5]C[5,6a]O[5]C)(C[5,6]C[5]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]HH)	C[5,6a](C[5,5]C[5,5,6]O[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,5,6]C[5,6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5,5,6](C[5,5]C[5,6a]O[5]C)(C[5,6]C[5]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,5,6]O[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	103.4530	0.000	1	103.4530	0.000	1	103.4530	0.000	1	103.4530	0.000	1	103.5437	2.681	16	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5,6]	C[5,6a]	4:3:3:2:	4:3:4:3:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:N[5]-3:O-2:	C[5,5]-4:N[5,6]-3:C[5,6]-4:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-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)	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[5,6a](C[5,5]C[5,5,6]N[5]O)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	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[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[5,6a](C[5,5]C[5,5,6]N[5]O)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	103.0430	0.006	2	103.0430	0.000	2	103.0430	0.000	2	103.0430	0.000	2	103.5437	2.681	16	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5,6]	C[5,6a]	4:3:4:2:	4:3:4:3:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[5]-4:O-2:	C[5,5]-4:N[5,6]-3:C[6]-4:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5,6]N[5,6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)	C[5,5,6](C[5,5]C[5,6a]C[5]O)(N[5,6]C[5,6a]C[6])(C[6]C[6]CH)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,5,6]C[5]O)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,5,6]N[5,6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH){1|C<4>,3|H<1>,6|C<3>}	C[5,5,6](C[5,5]C[5,6a]C[5]O)(N[5,6]C[5,6a]C[6])(C[6]C[6]CH)(N[5]C[5]C){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[5,6a](C[5,5]C[5,5,6]C[5]O)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	100.8470	0.000	1	100.8470	0.000	1	100.8470	0.000	1	100.8470	0.000	1	103.5437	2.681	16	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5,6]	C[5,6a]	4:3:4:2:	4:4:3:3:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[5]-4:O-2:	C[5,5]-4:C[6,6]-4:N[5,6]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5,6]C[6,6]N[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)	C[5,5,6](C[5,5]C[5,6a]C[5]O)(C[6,6]C[6,6]C[6]H)(N[5,6]C[5]C[6])(N[5]C[5,6a]H)	C[5,6a](C[5,5]C[5,5,6]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,5,6]C[6,6]N[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH){2|C<4>,3|C<3>,5|H<1>}	C[5,5,6](C[5,5]C[5,6a]C[5]O)(C[6,6]C[6,6]C[6]H)(N[5,6]C[5]C[6])(N[5]C[5,6a]H){1|C<4>,3|C<3>,9|H<1>}	C[5,6a](C[5,5]C[5,5,6]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	103.3930	0.000	1	103.3930	0.000	1	103.3930	0.000	1	103.3930	0.000	1	103.5437	2.681	16	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5,6]	C[5,6a]	4:3:4:2:	4:4:3:4:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[5]-4:C-2:	C[5,5]-4:C[5,6]-4:N[5]-3:C[6]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5,6]C[5,6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CN)	C[5,5,6](C[5,5]C[5,6a]C[5]C)(C[5,6]C[5]C[6]C)(N[5]C[5,6a]C)(C[6]C[6]HH)	C[5,6a](C[5,5]C[5,5,6]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,5,6]C[5,6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CN){2|C<4>,4|C<3>,5|H<1>}	C[5,5,6](C[5,5]C[5,6a]C[5]C)(C[5,6]C[5]C[6]C)(N[5]C[5,6a]C)(C[6]C[6]HH){1|C<4>,2|C<3>,8|H<1>}	C[5,6a](C[5,5]C[5,5,6]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	103.6680	0.000	1	103.6680	0.000	1	103.6680	0.000	1	103.6680	0.000	1	103.5437	2.681	16	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,5a]	3:3:4:1:	4:4:4:1:	4:3:3:	C[5,5a]-3:N[5,6]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:N[5,5a]-3:C[5a]-3:	C[5,5](C[5,5a]N[5,5a]C[5a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]2H)(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[5,5a](C[5,5]C[5,5]N[5,6]H)(N[5,5a]C[5a]C[5])(C[5a]C[5a]H)	C[5,5](C[5,5a]N[5,5a]C[5a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]2H)(H){1|C<4>,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[5,5a](C[5,5]C[5,5]N[5,6]H)(N[5,5a]C[5a]C[5])(C[5a]C[5a]H){3|C<4>,5|H<1>}	103.1230	0.000	1	103.1230	0.000	1	103.4020	0.156	2	103.4020	0.156	2	102.4118	1.055	16	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,5a]	3:3:4:1:	4:4:4:1:	4:3:3:	C[5,5a]-3:N[5,6]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:N[5,5a]-3:C[5a]-3:	C[5,5](C[5,5a]N[5,5a]C[5a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]2H)(H)	C[5,5](C[5,5]C[5,5a]N[5,6]H)(C[5]N[5,5a]HH)(C[5]C[5,6]HH)(H)	C[5,5a](C[5,5]C[5,5]N[5,6]H)(N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]Cl)	C[5,5](C[5,5a]N[5,5a]C[5a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]2H)(H){1|Cl<1>,1|C<4>,3|C<3>,7|H<1>}	C[5,5](C[5,5]C[5,5a]N[5,6]H)(C[5]N[5,5a]HH)(C[5]C[5,6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,5a](C[5,5]C[5,5]N[5,6]H)(N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]Cl){2|C<3>,3|C<4>,3|H<1>}	103.6810	0.000	1	103.6810	0.000	1	103.4020	0.156	2	103.4020	0.156	2	102.4118	1.055	16	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,5a]	3:3:4:1:	4:4:4:3:	4:3:3:	C[5,5a]-3:N[5,6]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-3:	C[5,5]-4:N[5,5a]-3:C[5a]-3:	C[5,5](C[5,5a]N[5,5a]C[5a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]2C)(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[5,5a](C[5,5]C[5,5]N[5,6]H)(N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)	C[5,5](C[5,5a]N[5,5a]C[5a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]2C)(H){3|C<3>,3|C<4>,6|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[5,5a](C[5,5]C[5,5]N[5,6]H)(N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C){2|H<1>,3|C<3>,3|C<4>}	103.5100	0.081	2	103.5100	0.006	2	103.5100	0.006	2	103.6250	0.043	3	102.4118	1.055	16	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,5a]	3:3:4:1:	4:4:4:3:	4:3:3:	C[5,5a]-3:N[5]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-3:	C[5,5]-4:N[5,5a]-3:C[5a]-3:	C[5,5](C[5,5a]N[5,5a]C[5a])(N[5]C[6a]O[5])(C[5,5]C[5]2C)(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[5,5a](C[5,5]C[5,5]N[5]H)(N[5,5a]C[5a]C[5])(C[5a]C[5a]H)	C[5,5](C[5,5a]N[5,5a]C[5a])(N[5]C[6a]O[5])(C[5,5]C[5]2C)(H){4|H<1>,5|C<3>}	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[5,5a](C[5,5]C[5,5]N[5]H)(N[5,5a]C[5a]C[5])(C[5a]C[5a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	103.8550	0.000	1	103.8550	0.000	1	103.8550	0.000	1	103.6250	0.043	3	102.4118	1.055	16	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,5a]	3:4:2:1:	4:4:2:1:	3:4:2:	C[5,5a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	N[5,5a]-3:C[5,5]-4:N[5a]-2:	C[5,5](C[5,5a]N[5,5a]N[5a])(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,5a]O[5]H)(C[5]N[5,5a]CH)(O[5]C[5])(H)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5,5]C[5,5]O[5]H)(N[5a]C[5a,6a])	C[5,5](C[5,5a]N[5,5a]N[5a])(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|H<1>,2|C<3>,3|C<4>}	C[5,5](C[5,5]C[5,5a]O[5]H)(C[5]N[5,5a]CH)(O[5]C[5])(H){1|C<3>,1|N<2>,2|C<4>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5,5]C[5,5]O[5]H)(N[5a]C[5a,6a]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	102.3580	0.000	1	102.3580	0.000	1	102.3580	0.000	1	102.3580	0.000	1	102.4118	1.055	16	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,5a]	3:4:2:1:	4:4:4:1:	3:4:3:	C[5,5a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5a,6a]-3:C[5,5]-4:C[5,5a]-3:	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5]2H)(O[5]C[5])(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[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5]C[5,5]O[5]H)(C[5,5a]N[5a]C[5])	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5]2H)(O[5]C[5])(H){1|N<3>,3|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[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5]C[5,5]O[5]H)(C[5,5a]N[5a]C[5]){1|S<4>,2|C<4>,3|C<3>,3|H<1>}	103.0720	0.000	1	103.0720	0.000	1	103.0720	0.000	1	103.0720	0.000	1	102.4118	1.055	16	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,5a]	3:4:2:4:	3:4:4:1:	3:4:3:	C[5,5a]-3:C[5,5]-4:O[5]-2:C-4:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5a]-3:C[5,5]-4:N[5a]-3:	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(CH3)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5a]O[5]C)(C[5]C[5,5a]HH)(H)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,5]C[5,5]O[5]C)(N[5a]C[5a,6a]C)	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(CH3){1|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5a]O[5]C)(C[5]C[5,5a]HH)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,5]C[5,5]O[5]C)(N[5a]C[5a,6a]C){3|H<1>,4|C<3>}	100.5110	0.000	1	100.5110	0.000	1	100.5110	0.000	1	100.5110	0.000	1	102.4118	1.055	16	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,5a]	3:4:3:1:	4:4:4:1:	3:4:2:	C[5,5a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	N[5,5a]-3:C[5,5]-4:N[5a]-2:	C[5,5](C[5,5a]N[5,5a]N[5a])(C[5,5]C[5]2H)(N[5]C[5]C)(H)	C[5,5](C[5,5]C[5,5a]N[5]H)(C[5]N[5,5a]HH)(C[5]C[5]HH)(H)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5,5]C[5,5]N[5]H)(N[5a]C[5a,6a])	C[5,5](C[5,5a]N[5,5a]N[5a])(C[5,5]C[5]2H)(N[5]C[5]C)(H){3|C<3>,5|H<1>}	C[5,5](C[5,5]C[5,5a]N[5]H)(C[5]N[5,5a]HH)(C[5]C[5]HH)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5,5]C[5,5]N[5]H)(N[5a]C[5a,6a]){2|C<3>,3|C<4>,3|H<1>}	101.7870	0.000	1	101.7870	0.000	1	101.7870	0.000	1	101.7870	0.000	1	102.4118	1.055	16	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,5a]	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[5,5a]-3:N[5a]-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[5,5a](C[5,5]C[5,5]C[6a]O[5])(C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]S)	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[5,5a](C[5,5]C[5,5]C[6a]O[5])(C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]S){2|C<4>,3|H<1>,4|C<3>}	100.8810	0.000	1	100.8810	0.000	1	100.8810	0.000	1	101.4405	0.626	2	102.4118	1.055	16	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,5a]	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[5a,6a]-3:C[5,5a]-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[5,5a](C[5,5]C[5,5]C[6a]O[5])(C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])	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[5,5a](C[5,5]C[5,5]C[6a]O[5])(C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5]){1|S<4>,2|C<4>,4|C<3>,4|H<1>}	102.0000	0.000	1	102.0000	0.000	1	102.0000	0.000	1	101.4405	0.626	2	102.4118	1.055	16	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,5a]	3:4:4:1:	4:3:2:1:	3:4:3:	C[5,5a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5a,6a]-3:C[5,5]-4:C[5,5a]-3:	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]N[5]O[5]H)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,5a]C[5]H)(N[5]C[5,5a]S)(O[5]C[5])(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5]C[5,5]C[5]H)(C[5,5a]N[5a]N[5])	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]N[5]O[5]H)(C[5]C[5]HH)(H){1|N<3>,1|S<4>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5,5a]C[5]H)(N[5]C[5,5a]S)(O[5]C[5])(H){1|C<3>,1|N<3>,4|H<1>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5]C[5,5]C[5]H)(C[5,5a]N[5a]N[5]){1|O<2>,1|S<4>,2|C<3>,2|C<4>,4|H<1>}	101.9280	0.000	1	101.9280	0.000	1	101.9280	0.000	1	101.9280	0.000	1	102.4118	1.055	16	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,5a]	3:4:4:1:	4:3:3:4:	3:4:3:	C[5,5a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:C[5]-3:C-4:	C[5,5a]-3:C[5,5]-4:N[5a]-3:	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5]2C)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,5a]C[5]H)(C[5]C[5,5a]O)(C[5]C[5]O)(CH3)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,5]C[5,5]C[5]H)(N[5a]C[5a,6a]C)	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5]2C)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[5,5](C[5,5]C[5,5a]C[5]H)(C[5]C[5,5a]O)(C[5]C[5]O)(CH3){1|C<3>,1|N<3>,4|H<1>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,5]C[5,5]C[5]H)(N[5a]C[5a,6a]C){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	101.2750	0.000	1	101.2750	0.000	1	101.2750	0.000	1	101.2750	0.000	1	102.4118	1.055	16	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,5a]	3:4:4:2:	4:4:3:1:	3:4:3:	C[5,5a]-3:C[5,5]-4:C[5]-4:O-2:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	N[5,5a]-3:C[5,5]-4:C[5a]-3:	C[5,5](C[5,5a]N[5,5a]C[5a])(C[5,5]C[5]2H)(C[5]C[5]HH)(OH)	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[5,5a](N[5,5a]C[5a,6a]C[5])(C[5,5]C[5,5]C[5]O)(C[5a]C[5a,6a]H)	C[5,5](C[5,5a]N[5,5a]C[5a])(C[5,5]C[5]2H)(C[5]C[5]HH)(OH){1|O<1>,3|H<1>,4|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[5,5a](N[5,5a]C[5a,6a]C[5])(C[5,5]C[5,5]C[5]O)(C[5a]C[5a,6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	103.0400	0.000	1	103.0400	0.000	1	103.0400	0.000	1	103.0400	0.000	1	102.4118	1.055	16	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,5a]	3:4:4:2:	4:4:4:3:	3:4:3:	C[5,5a]-3:C[5,5]-4:C[5]-4:O-2:	C[5,5]-4:C[5]-4:C[5]-4:C-3:	C[5a,6a]-3:C[5,5]-4:C[5,5a]-3:	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5]2C)(C[5]C[5]HH)(OH)	C[5,5](C[5,5]C[5,5a]C[5]O)(C[5]C[5,5a]HH)(C[5]C[5]HH)(COO)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5]C[5,5]C[5]O)(C[5,5a]N[5a]C[5])	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5]2C)(C[5]C[5]HH)(OH){1|N<3>,2|C<3>,6|H<1>}	C[5,5](C[5,5]C[5,5a]C[5]O)(C[5]C[5,5a]HH)(C[5]C[5]HH)(COO){1|C<3>,1|N<3>,4|H<1>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5]C[5,5]C[5]O)(C[5,5a]N[5a]C[5]){1|S<4>,2|C<4>,3|C<3>,5|H<1>}	102.0290	0.204	2	102.0290	0.041	2	102.0290	0.041	2	102.0290	0.041	2	102.4118	1.055	16	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:3:4:1:	3:4:4:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]2H)(C[5]C[5,6a]HH)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]O)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(H){1|O<2>,3|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]2H)(C[5]C[5,6a]HH)(H){1|O<2>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	104.9900	0.000	1	104.9900	0.000	1	104.9900	0.000	1	104.9900	0.000	1	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:3:4:1:	3:4:4:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]2H)(C[5]C[5,6a]HH)(H)	C[5,6a](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(H){1|O<2>,3|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]2H)(C[5]C[5,6a]HH)(H){1|O<2>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,5|H<1>}	103.4480	0.000	1	103.4480	0.000	1	103.4480	0.000	1	103.4480	0.000	1	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:3:4:1:	4:2:2:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]O[5]2H)(H)	C[5,5](C[5,5]C[5,6a]2H)(O[5]C[5,6a])2(H)	C[5,6a](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]O[5]2H)(H){2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]2H)(O[5]C[5,6a])2(H){4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,1|P<4>,3|C<3>}	101.2680	0.728	2	101.2680	0.530	2	101.2680	0.530	2	101.2680	0.530	2	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:3:4:1:	4:3:3:3:	4:3:3:	C[5,6a]-3:N[5]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5]-3:C[5]-3:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5,5]C[5]2C)(H)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]O)(C[5]C[5]C)(COO)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5,5]C[5]2C)(H){1|O<1>,3|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]O)(C[5]C[5]C)(COO){2|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	103.6540	0.260	2	103.6540	0.068	2	103.6540	0.068	2	103.6540	0.068	2	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:3:4:1:	4:4:2:1:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]O[5]H)(H)	C[5,5](C[5,5]C[5,6a]N[5,5]H)(C[5]C[5,6a]HH)(O[5]C[5,5])(H)	C[5,6a](C[5,5]C[5,5]N[5,5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]O[5]H)(H){1|N<3>,3|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6a]N[5,5]H)(C[5]C[5,6a]HH)(O[5]C[5,5])(H){4|C<3>}	C[5,6a](C[5,5]C[5,5]N[5,5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,5|H<1>}	104.6995	0.081	2	104.5530	0.068	3	104.5530	0.068	3	104.3204	0.137	5	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:3:4:1:	4:4:2:1:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]O[5]H)(H)	C[5,5](C[5,5]C[5,6a]N[5,5]H)(C[5]C[5,6a]HH)(O[5]C[5,5])(H)	C[5,6a](C[5,5]C[5,5]N[5,5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]O[5]H)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,6a]N[5,5]H)(C[5]C[5,6a]HH)(O[5]C[5,5])(H){2|C<4>,3|C<3>}	C[5,6a](C[5,5]C[5,5]N[5,5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	104.2600	0.000	1	104.5530	0.068	3	104.5530	0.068	3	104.3204	0.137	5	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:3:4:1:	4:4:2:1:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]O[5]H)(H)	C[5,5](C[5,5]C[5,6a]N[5,6]H)(C[5]C[5,6a]HH)(O[5]C[5,6])(H)	C[5,6a](C[5,5]C[5,5]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]O[5]H)(H){2|C<4>,4|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6a]N[5,6]H)(C[5]C[5,6a]HH)(O[5]C[5,6])(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	104.0330	0.000	1	104.0330	0.000	1	103.9715	0.008	2	104.3204	0.137	5	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:3:4:1:	4:4:2:1:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]O[5]H)(H)	C[5,5](C[5,5]C[5,6a]N[5,6]H)(C[5]C[5,6a]HH)(O[5]C[5,6])(H)	C[5,6a](C[5,5]C[5,5]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]O[5]H)(H){2|C<4>,3|C<3>,5|H<1>}	C[5,5](C[5,5]C[5,6a]N[5,6]H)(C[5]C[5,6a]HH)(O[5]C[5,6])(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	103.9100	0.000	1	103.9100	0.000	1	103.9715	0.008	2	104.3204	0.137	5	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:3:4:1:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]N[5]H)(H)	C[5,5](C[5,5]C[5,6a]2H)(C[5]C[5,6a]HH)(N[5]C[5,6a]S)(H)	C[5,6a](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]N[5]H)(H){1|S<4>,4|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6a]2H)(C[5]C[5,6a]HH)(N[5]C[5,6a]S)(H){4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,5|H<1>}	103.2270	0.000	1	103.2270	0.000	1	103.0745	0.047	2	103.0745	0.047	2	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:3:4:1:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]N[5]H)(H)	C[5,5](C[5,5]C[5,6a]2H)(C[5]C[5,6a]HH)(N[5]C[5,6a]S)(H)	C[5,6a](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]N[5]H)(H){1|S<4>,4|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6a]2H)(C[5]C[5,6a]HH)(N[5]C[5,6a]S)(H){4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|S<4>,2|C<4>,3|C<3>}	102.9220	0.000	1	102.9220	0.000	1	103.0745	0.047	2	103.0745	0.047	2	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:3:4:1:	4:4:3:3:	4:3:3:	C[5,6a]-3:N[5]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5,5]C[5]2C)(H)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HO)(C[5]C[5]C)(COO)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5,5]C[5]2C)(H){1|O<2>,4|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HO)(C[5]C[5]C)(COO){2|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	103.0460	0.000	1	103.0460	0.000	1	103.0460	0.000	1	103.0460	0.000	1	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:3:4:1:	4:4:3:4:	4:3:3:	C[5,6a]-3:N[5]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5,5]C[5]2C)(H)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HO)(C[5]C[5]C)(CHHO)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5,5]C[5]2C)(H){1|O<2>,4|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HO)(C[5]C[5]C)(CHHO){2|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	103.1550	0.000	1	103.1550	0.000	1	103.1550	0.000	1	103.1550	0.000	1	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:3:4:1:	4:4:4:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]2H)(H)	C[5,5](C[5,5]C[5,6a]2H)(C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)	C[5,6a](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]2H)(H){1|N<3>,1|O<2>,4|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6a]2H)(C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H){4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	102.5850	0.000	1	102.5850	0.000	1	102.9175	0.221	2	103.5937	1.482	3	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:3:4:1:	4:4:4:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]2H)(H)	C[5,5](C[5,5]C[5,6a]2H)(C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)	C[5,6a](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]2H)(H){1|N<3>,1|O<2>,4|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6a]2H)(C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H){4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	103.2500	0.000	1	103.2500	0.000	1	102.9175	0.221	2	103.5937	1.482	3	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:3:4:1:	4:4:4:1:	4:3:3:	C[5,6a]-3:N[5]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]O[5])(C[5,5]C[5]2H)(H)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(C[5]O[5]HH)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]O[5])(C[5,5]C[5]2H)(H){4|C<3>,5|H<1>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(C[5]O[5]HH)(H){3|C<3>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	104.9460	0.000	1	104.9460	0.000	1	104.9460	0.000	1	103.5937	1.482	3	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:3:4:2:	3:4:3:2:	3:4:3:	C[5,6a]-3:N[5,6]-3:C[5,5]-4:O-2:	C[5,6a]-3:C[5,5]-4:C[5]-3:O-2:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(C[5,5]C[5,6a]C[5]O)(OH)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5,6]O)(C[5]C[5,6]C)(OH)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5,6]O)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(C[5,5]C[5,6a]C[5]O)(OH){1|C<4>,1|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5,6]O)(C[5]C[5,6]C)(OH){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5,6]O)(C[6a]C[6a]H){1|H<1>,1|O<2>,6|C<3>}	104.9740	0.000	1	104.9740	0.000	1	104.9740	0.000	1	104.9740	0.000	1	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:3:4:2:	4:3:3:2:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[5,5]-4:O-2:	C[5,5]-4:C[5]-3:C[5]-3:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(C[5,5]C[5]2O)(OH)	C[5,5](C[5,5]C[5,6a]N[5,6]O)(C[5]C[5,6a]O)(C[5]C[5,6]C)(OH)	C[5,6a](C[5,5]C[5,5]N[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(C[5,5]C[5]2O)(OH){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]N[5,6]O)(C[5]C[5,6a]O)(C[5]C[5,6]C)(OH){1|C<4>,3|C<3>}	C[5,6a](C[5,5]C[5,5]N[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	103.4100	0.000	1	103.4100	0.000	1	103.4100	0.000	1	104.1037	0.381	6	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:3:4:2:	4:3:3:2:	4:3:3:	C[5,6a]-3:N[5]-3:C[5,5]-4:O-2:	C[5,5]-4:C[5]-3:C[5]-3:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5,5]C[5]2O)(OH)	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5]C[5,6a]O)(C[5]C[5]C)(OH)	C[5,6a](C[5,5]C[5,5]N[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5,5]C[5]2O)(OH){1|H<1>,1|O<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5]C[5,6a]O)(C[5]C[5]C)(OH){4|C<3>}	C[5,6a](C[5,5]C[5,5]N[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	104.9720	0.000	1	104.1257	0.560	3	104.2424	0.332	5	104.1037	0.381	6	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:3:4:2:	4:3:3:2:	4:3:3:	C[5,6a]-3:N[5]-3:C[5,5]-4:O-2:	C[5,5]-4:C[5]-3:C[5]-3:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5,5]C[5]2O)(OH)	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5]C[5,6a]O)(C[5]C[5]C)(OH)	C[5,6a](C[5,5]C[5,5]N[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5,5]C[5]2O)(OH){1|O<1>,2|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5]C[5,6a]O)(C[5]C[5]C)(OH){1|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]N[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	103.7025	0.214	2	104.1257	0.560	3	104.2424	0.332	5	104.1037	0.381	6	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:3:4:2:	4:3:3:2:	4:3:3:	C[5,6a]-3:N[5]-3:C[5,5]-4:O-2:	C[5,5]-4:C[5]-3:C[5]-3:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5,5]C[5]2O)(OH)	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5]C[5,6a]O)(C[5]C[5]N)(OH)	C[5,6a](C[5,5]C[5,5]N[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5,5]C[5]2O)(OH){1|H<1>,1|N<3>,1|O<1>,1|S<2>,4|C<3>}	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5]C[5,6a]O)(C[5]C[5]N)(OH){1|S<2>,3|C<3>}	C[5,6a](C[5,5]C[5,5]N[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	104.4175	0.326	2	104.4175	0.106	2	104.2424	0.332	5	104.1037	0.381	6	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:3:4:3:	4:3:2:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,5]-4:C-3:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]N[5]O[5]H)(COO)	C[5,5](C[5,5]C[5,6a]2C)(N[5]C[5,6a]C)(O[5]C[5,6a])(H)	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]N[5]O[5]H)(COO){2|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]2C)(N[5]C[5,6a]C)(O[5]C[5,6a])(H){4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|O<2>,2|H<1>,4|C<3>}	102.0470	0.000	1	102.0470	0.000	1	102.2732	0.114	4	102.2732	0.114	4	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:3:4:3:	4:3:2:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,5]-4:C-3:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]N[5]O[5]H)(COO)	C[5,5](C[5,5]C[5,6a]2C)(N[5]C[5,6a]C)(O[5]C[5,6a])(H)	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]N[5]O[5]H)(COO){2|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]2C)(N[5]C[5,6a]C)(O[5]C[5,6a])(H){4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	102.1580	0.000	1	102.1580	0.000	1	102.2732	0.114	4	102.2732	0.114	4	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:3:4:3:	4:3:2:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,5]-4:C-3:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]N[5]O[5]H)(COO)	C[5,5](C[5,5]C[5,6a]2C)(N[5]C[5,6a]H)(O[5]C[5,6a])(H)	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]N[5]O[5]H)(COO){3|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]2C)(N[5]C[5,6a]H)(O[5]C[5,6a])(H){4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,4|H<1>}	102.1120	0.000	1	102.1120	0.000	1	102.2732	0.114	4	102.2732	0.114	4	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:3:4:3:	4:3:2:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,5]-4:C-3:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]N[5]O[5]H)(COO)	C[5,5](C[5,5]C[5,6a]2C)(N[5]C[5,6a]H)(O[5]C[5,6a])(H)	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]N[5]O[5]H)(COO){3|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]2C)(N[5]C[5,6a]H)(O[5]C[5,6a])(H){4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	102.7760	0.000	1	102.7760	0.000	1	102.2732	0.114	4	102.2732	0.114	4	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:3:4:3:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5a]-3:C[5,5]-4:C[5]-3:	C[5,5]-4:N[5,6]-3:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5,5]N[5,6]N[5]H)(C[5]C[5,6]H)	C[5,5](C[5,5]C[5,6a]C[5a]C[5])(N[5,6]C[5,6]C[6])(N[5]C[5,6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5,5]N[5,6]N[5]H)(C[5]C[5,6]H){1|N<3>,3|H<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]C[5a]C[5])(N[5,6]C[5,6]C[6])(N[5]C[5,6a]H)(H){1|H<1>,1|O<1>,6|C<3>}	C[5,6a](C[5,5]C[5,5]C[5a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,4|C<3>,5|H<1>}	101.1400	0.000	1	101.1400	0.000	1	101.1400	0.000	1	101.1400	0.000	1	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:3:4:4:	4:2:2:1:	4:3:3:	C[5,6a]-3:C[5,6]-3:C[5,5]-4:C-4:	C[5,5]-4:O[5]-2:N[5]-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,5]N[5]O[5]H)(CC[6]HH)	C[5,5](C[5,5]C[5,6a]C[5,6]C)(O[5]C[5,6a])(N[5]C[5,6])(H)	C[5,6a](C[5,5]C[5,5]C[5,6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,5]N[5]O[5]H)(CC[6]HH){1|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,6]C)(O[5]C[5,6a])(N[5]C[5,6])(H){4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5,6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	97.8001	0.000	1	97.8001	0.000	1	97.8001	0.000	1	97.8001	0.000	1	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:3:4:4:	4:2:2:4:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:O[5]-2:O[5]-2:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]O[5]2C)(CH3)	C[5,5](C[5,5]C[5,6a]2C)(O[5]C[5,6a])2(CH3)	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]O[5]2C)(CH3){2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]2C)(O[5]C[5,6a])2(CH3){4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<2>,1|P<4>,2|C<4>,3|C<3>}	100.5234	1.201	4	100.5234	1.443	4	100.5234	1.443	4	100.5234	1.443	4	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:3:4:4:	4:3:2:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]N[5]O[5]H)(CC[6]HH)	C[5,5](C[5,5]C[5,6a]2C)(N[5]C[5,6a]C)(O[5]C[5,6a])(H)	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]N[5]O[5]H)(CC[6]HH){2|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]2C)(N[5]C[5,6a]C)(O[5]C[5,6a])(H){4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	102.7250	0.000	1	102.7250	0.000	1	101.2777	1.035	4	101.2777	1.035	4	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:3:4:4:	4:3:2:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]N[5]O[5]H)(CC[6]HH)	C[5,5](C[5,5]C[5,6a]2C)(N[5]C[5,6a]C)(O[5]C[5,6a])(H)	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]N[5]O[5]H)(CC[6]HH){2|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]2C)(N[5]C[5,6a]C)(O[5]C[5,6a])(H){4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	100.4130	0.000	1	100.4130	0.000	1	101.2777	1.035	4	101.2777	1.035	4	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:3:4:4:	4:3:2:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]N[5]O[5]H)(CH3)	C[5,5](C[5,5]C[5,6a]2C)(N[5]C[5,6a]C)(O[5]C[5,6a])(H)	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]N[5]O[5]H)(CH3){1|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]2C)(N[5]C[5,6a]C)(O[5]C[5,6a])(H){4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	100.7710	0.000	1	100.7710	0.000	1	101.2777	1.035	4	101.2777	1.035	4	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:3:4:4:	4:3:2:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]N[5]O[5]H)(CH3)	C[5,5](C[5,5]C[5,6a]2C)(N[5]C[5,6a]C)(O[5]C[5,6a])(H)	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]N[5]O[5]H)(CH3){1|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]2C)(N[5]C[5,6a]C)(O[5]C[5,6a])(H){4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	101.2020	0.000	1	101.2020	0.000	1	101.2777	1.035	4	101.2777	1.035	4	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:3:4:4:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5a]-3:C[5,5]-4:C[5]-4:	C[5,5]-4:N[5,6]-3:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5,5]N[5,6]N[5]H)(C[5]C[5,6]HH)	C[5,5](C[5,5]C[5,6a]C[5a]C[5])(N[5,6]C[5,6]C[6])(N[5]C[5,6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5,5]N[5,6]N[5]H)(C[5]C[5,6]HH){1|N<3>,1|S<2>,3|H<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]C[5a]C[5])(N[5,6]C[5,6]C[6])(N[5]C[5,6a]H)(H){1|C<4>,1|O<1>,1|S<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	100.7400	0.000	1	100.7400	0.000	1	101.6870	1.794	2	101.6870	1.794	2	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:3:4:4:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5a]-3:C[5,5]-4:C[5]-4:	C[5,5]-4:N[5,6]-3:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5,5]N[5,6]N[5]H)(C[5]C[5,6]HO)	C[5,5](C[5,5]C[5,6a]C[5a]C[5])(N[5,6]C[5,6]C[6])(N[5]C[5,6a]S)(H)	C[5,6a](C[5,5]C[5,5]C[5a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5,5]N[5,6]N[5]H)(C[5]C[5,6]HO){1|N<3>,1|O<2>,1|S<4>,2|H<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]C[5a]C[5])(N[5,6]C[5,6]C[6])(N[5]C[5,6a]S)(H){1|C<4>,1|H<1>,1|O<1>,2|O<2>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,1|S<4>,3|C<3>,4|H<1>}	102.6340	0.000	1	102.6340	0.000	1	101.6870	1.794	2	101.6870	1.794	2	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:3:4:4:	4:3:3:4:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:N[5]-3:N[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]N[5]2C)(CH3)	C[5,5](C[5,5]C[5,6a]2C)(N[5]C[5,6a]C)(N[5]C[5,6a]H)(CH3)	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]N[5]2C)(CH3){1|C<4>,3|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]2C)(N[5]C[5,6a]C)(N[5]C[5,6a]H)(CH3){4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	102.3080	0.960	4	101.9613	1.087	8	101.9613	1.087	8	101.9613	1.087	8	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:3:4:4:	4:3:3:4:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:N[5]-3:N[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]N[5]2C)(CH3)	C[5,5](C[5,5]C[5,6a]2C)(N[5]C[5,6a]C)(N[5]C[5,6a]H)(CH3)	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]N[5]2C)(CH3){1|C<4>,3|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]2C)(N[5]C[5,6a]C)(N[5]C[5,6a]H)(CH3){4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	101.6145	1.138	4	101.9613	1.087	8	101.9613	1.087	8	101.9613	1.087	8	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:2:1:	3:4:2:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:S[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:S[5]-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]S[5]H)(S[5]C[5,6a])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]S[5]H)(S[5]C[5,6a])(H)	C[5,6a](C[5,5]C[5,5]S[5]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]Br)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]S[5]H)(S[5]C[5,6a])(H){1|Br<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]S[5]H)(S[5]C[5,6a])(H){1|Br<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]S[5]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]Br){3|C<3>,3|H<1>}	109.2380	0.000	1	109.2380	0.000	1	109.2380	0.000	1	109.2380	0.000	1	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:2:1:	4:2:2:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:N[5]-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,6a]O[5]H)(O[5]C[5,6a])(N[5]C[5])(H)	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(O[5]C[5])(H){1|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]O[5]H)(O[5]C[5,6a])(N[5]C[5])(H){3|C<3>}	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	102.6460	0.000	1	102.6460	0.000	1	102.6460	0.000	1	102.6460	0.000	1	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:2:1:	4:2:2:4:	3:3:4:	C[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:C-4:	C[6a,6a]-3:C[5,6a]-3:C[5,5]-4:	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]O[5]2C)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,6a]O[5]H)(O[5]C[5,6a])(O[5]C[5])(CH3)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]O[5])(C[5,5]C[5,5]O[5]H)	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]O[5]2C)(O[5]C[5])(H){2|C<4>,3|C<3>}	C[5,5](C[5,5]C[5,6a]O[5]H)(O[5]C[5,6a])(O[5]C[5])(CH3){2|C<3>,2|C<4>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]O[5])(C[5,5]C[5,5]O[5]H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	103.2790	0.000	1	103.2790	0.000	1	103.2790	0.000	1	103.2790	0.000	1	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:2:1:	4:2:4:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:O[5]-2:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,6a]O[5]H)(O[5]C[5,6a])(C[5]C[5]HO)(H)	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]N[6a]O[5])(C[6a]N[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	C[5,5](C[5,5]C[5,6a]O[5]H)(O[5]C[5,6a])(C[5]C[5]HO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]N[6a]O[5])(C[6a]N[6a]H){1|C<3>,2|C<4>,2|H<1>}	101.9445	0.148	2	101.9445	0.022	2	101.9445	0.022	2	101.9445	0.022	2	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:2:1:	4:3:2:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[6a]C[5])(O[5]C[5,6a])(H)	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]C[5])(H){2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[6a]C[5])(O[5]C[5,6a])(H){1|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	102.8985	0.227	2	102.8985	0.052	2	102.8985	0.052	2	102.8985	0.052	2	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:2:1:	4:4:2:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:N[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5,6])(H)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5,6])(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5,6])(H){2|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5,6])(H){2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	103.5893	0.167	3	103.5893	0.028	3	103.6832	0.031	5	104.0377	0.313	22	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:2:1:	4:4:2:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:N[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5])(H)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5])(H){3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){3|C<3>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,5|H<1>}	103.8240	0.048	2	103.8240	0.002	2	103.6832	0.031	5	104.0377	0.313	22	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:2:1:	4:4:2:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]B[5])(H)	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]CC)(O[5]B[5])(H)	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]B[5])(H){1|H<1>,2|C<3>,3|C<4>}	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]CC)(O[5]B[5])(H){1|C<4>,2|C<3>}	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|B<3>,1|C<3>,1|O<2>,2|H<1>,3|C<4>}	103.8350	0.269	4	104.1478	0.250	14	104.2214	0.262	16	104.0377	0.313	22	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:2:1:	4:4:2:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]B[5])(H)	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]CC)(O[5]B[5])(H)	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]B[5])(H){1|H<1>,2|C<4>,3|C<3>}	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]CC)(O[5]B[5])(H){3|C<3>}	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|B<3>,1|C<3>,1|O<2>,2|H<1>,3|C<4>}	104.2729	0.526	10	104.1478	0.250	14	104.2214	0.262	16	104.0377	0.313	22	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:2:1:	4:4:2:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|O<1>,2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|O<1>,2|C<3>}	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,5|H<1>}	104.7365	0.264	2	104.7365	0.070	2	104.2214	0.262	16	104.0377	0.313	22	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:2:1:	4:4:2:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:N[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]N[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]N[5,6a]CH)(O[5]C[5])(H)	C[5,6a](C[5,5]C[5,5]O[5]H)(N[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]N[5,6a]C[6a])(C[5,5]C[5]O[5]H)(O[5]C[5])(H){2|C<3>,2|H<1>,3|C<4>}	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]N[5,6a]CH)(O[5]C[5])(H){2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]O[5]H)(N[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	102.8720	0.000	1	102.8720	0.000	1	102.8720	0.000	1	104.0377	0.313	22	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:2:1:	4:4:2:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:N[5]-2:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]CH)(N[5]C[5])(COO)	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(O[5]C[5])(H){1|C<4>,2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]CH)(N[5]C[5])(COO){1|H<1>,2|C<3>}	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	105.3580	0.000	1	105.3580	0.000	1	105.3580	0.000	1	105.3580	0.000	1	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:2:1:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:N[5]-2:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(N[5]C[5])(H)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(N[5]C[5]S)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(N[5]C[5])(H){1|N<3>,1|S<4>,2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(N[5]C[5]S)(H){1|N<3>,2|C<3>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,5|H<1>}	104.1630	0.000	1	104.1630	0.000	1	104.1630	0.000	1	104.7667	0.479	7	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:2:1:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]HH)(C[5]C[5]C)(H)	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(O[5]C[5])(H){1|O<1>,3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]HH)(C[5]C[5]C)(H){1|O<1>,2|C<3>}	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	105.0970	0.000	1	104.8057	0.910	3	104.8673	0.490	6	104.7667	0.479	7	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:2:1:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]HH)(C[5]C[5]C)(H)	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(O[5]C[5])(H){1|O<1>,3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]HH)(C[5]C[5]C)(H){1|O<1>,2|C<3>}	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	105.5800	0.000	1	104.8057	0.910	3	104.8673	0.490	6	104.7667	0.479	7	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:2:1:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]HH)(C[5]C[5]C)(H)	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(O[5]C[5])(H){3|C<3>,5|H<1>}	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]HH)(C[5]C[5]C)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	103.7400	0.000	1	104.8057	0.910	3	104.8673	0.490	6	104.7667	0.479	7	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:2:1:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]HO)(C[5]C[5]C)(H)	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(O[5]C[5])(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]HO)(C[5]C[5]C)(H){1|O<1>,2|C<3>}	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,4|H<1>}	104.9290	0.552	3	104.9290	0.304	3	104.8673	0.490	6	104.7667	0.479	7	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:2:1:	4:4:4:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(O[5]C[5])(H)	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]HO)(C[5]C[5]HH)(H)	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]HO)(C[5]C[5]HH)(H){1|O<1>,2|C<3>}	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	105.2390	0.000	1	105.2390	0.000	1	105.2390	0.000	1	105.2390	0.000	1	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:2:2:	3:4:3:2:	4:3:3:	C[5,6a]-3:C[5,5]-4:O[5]-2:O-2:	C[5,6a]-3:C[5,5]-4:C[5]-3:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(O[5]C[5,6a])(OH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]O)(C[5]C[5,6a]O)(OH)	C[5,6a](C[5,5]C[5,5]O[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(O[5]C[5,6a])(OH){1|H<1>,1|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]O)(C[5]C[5,6a]O)(OH){1|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]O[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	104.9597	0.575	7	104.9597	0.331	7	104.9597	0.331	7	104.9597	0.331	7	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:2:2:	3:4:3:4:	4:3:3:	C[5,6a]-3:C[5,5]-4:O[5]-2:O-2:	C[5,6a]-3:C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(O[5]C[5,6a])(OH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]O)(C[5]C[5,6a]O)(CC[5a]HH)	C[5,6a](C[5,5]C[5,5]O[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(O[5]C[5,6a])(OH){1|H<1>,1|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]O)(C[5]C[5,6a]O)(CC[5a]HH){1|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]O[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	104.1680	0.000	1	104.1680	0.000	1	104.1680	0.000	1	104.1680	0.000	1	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:2:2:	4:4:4:2:	4:3:3:	C[5,6a]-3:C[5,5]-4:O[5]-2:O-2:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O)(O[5]C[5])(OC)	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[5,6a](C[5,5]C[5,5]O[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O)(O[5]C[5])(OC){1|C<4>,3|C<3>,5|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[5,6a](C[5,5]C[5,5]O[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	104.4905	0.581	2	104.4905	0.337	2	104.4905	0.337	2	104.4905	0.337	2	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:2:4:	3:4:2:4:	3:4:3:	C[5,6a]-3:C[5,5]-4:O[5]-2:C-4:	C[5,6a]-3:C[5,5]-4:O[5]-2:C-4:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]O[5]C)(O[5]B[5])(CH3)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]O[5]C)(O[5]B[5])(CH3)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]O[5]C)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]O[5]C)(O[5]B[5])(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]O[5]C)(O[5]B[5])(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]O[5]C)(C[6a]C[6a]H){1|B<3>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	104.4365	0.117	4	104.4365	0.014	4	104.4365	0.014	4	104.4365	0.014	4	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:2:4:	3:4:3:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:O[5]-2:C-4:	C[5,6a]-3:C[5,5]-4:N[5]-3:N-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]N[5]N)(O[5]C[5,6a])(CH3)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]C)(N[5]C[5,6a]H)(NHH)	C[5,6a](C[5,5]C[5,5]O[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]N[5]N)(O[5]C[5,6a])(CH3){2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]C)(N[5]C[5,6a]H)(NHH){1|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]O[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	103.7480	0.000	1	103.7480	0.000	1	103.3960	0.248	2	103.3960	0.248	2	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:2:4:	3:4:3:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:O[5]-2:C-4:	C[5,6a]-3:C[5,5]-4:N[5]-3:N-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]N[5]N)(O[5]C[5,6a])(CH3)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]C)(N[5]C[5,6a]H)(NHS)	C[5,6a](C[5,5]C[5,5]O[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]N[5]N)(O[5]C[5,6a])(CH3){2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]C)(N[5]C[5,6a]H)(NHS){1|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]O[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	103.0440	0.000	1	103.0440	0.000	1	103.3960	0.248	2	103.3960	0.248	2	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:1:	3:4:3:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5]H)(N[5]C[6a]C[5])(H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5]H)(N[5]C[6a]C[5])(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5]H)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5]H)(N[5]C[6a]C[5])(H){1|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5]H)(N[5]C[6a]C[5])(H){1|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5]H)(C[6a]C[6a]H){1|C<2>,1|N<3>,2|H<1>,4|C<3>}	105.0160	0.099	2	105.0265	0.092	16	105.0265	0.092	16	105.0265	0.092	16	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:1:	3:4:3:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5]H)(N[5]C[6a]C[5])(H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5]H)(N[5]C[6a]C[5])(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5]H)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5]H)(N[5]C[6a]C[5])(H){1|Ir<6>,1|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5]H)(N[5]C[6a]C[5])(H){1|Ir<6>,1|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	104.8820	0.311	4	105.0265	0.092	16	105.0265	0.092	16	105.0265	0.092	16	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:1:	3:4:3:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5]H)(N[5]C[6a]C[5])(H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5]H)(N[5]C[6a]C[5])(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5]H)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5]H)(N[5]C[6a]C[5])(H){1|Rh<6>,1|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5]H)(N[5]C[6a]C[5])(H){1|Rh<6>,1|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	105.1077	0.380	6	105.0265	0.092	16	105.0265	0.092	16	105.0265	0.092	16	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:1:	3:4:3:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5]H)(N[5]C[6a]C[5])(H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5]H)(N[5]C[6a]C[5])(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5]H)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5]H)(N[5]C[6a]C[5])(H){2|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5]H)(N[5]C[6a]C[5])(H){2|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	105.0545	0.280	4	105.0265	0.092	16	105.0265	0.092	16	105.0265	0.092	16	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:1:	3:4:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]N[5]H)(N[5]C[5,6a]S)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]N[5]H)(N[5]C[5,6a]S)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]N[5]H)(N[5]C[5,6a]S)(H){1|H<1>,1|S<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]N[5]H)(N[5]C[5,6a]S)(H){1|H<1>,1|S<4>,4|C<3>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|S<4>,3|C<3>,3|H<1>}	104.1540	0.211	2	104.1540	0.044	2	104.1540	0.044	2	104.1540	0.044	2	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:1:	4:2:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:O[5]-2:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[5]C)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(C[5]C[5]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]C)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[5]C)(H){2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(C[5]C[5]H)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]C){1|O<2>,2|H<1>,4|C<3>}	101.4150	0.000	1	101.4150	0.000	1	101.1045	0.193	2	101.1045	0.193	2	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:1:	4:2:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:O[5]-2:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[5]C)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(C[5]C[5]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[5]C)(H){2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(C[5]C[5]H)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	100.7940	0.000	1	100.7940	0.000	1	101.1045	0.193	2	101.1045	0.193	2	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:1:	4:3:2:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]Ni)(H)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]H)(O[5]C[5])(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]Ni)(H){2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]H)(O[5]C[5])(H){1|Ni<5>,3|C<3>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Ni<5>,1|O<2>,2|C<3>,4|H<1>}	103.8930	0.000	1	103.8930	0.000	1	103.8930	0.000	1	103.8930	0.000	1	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:1:	4:3:2:2:	3:4:3:	C[5,6a]-3:C[5,5]-4:N[5,5]-3:H-1:	C[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	C[6a,6a]-3:C[5,5]-4:C[5,6a]-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)	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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5]C[5,5]N[5,5]H)(C[5,6a]C[6a]O[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){2|C<4>,3|H<1>,5|C<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]){2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5]C[5,5]N[5,5]H)(C[5,6a]C[6a]O[5]){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	102.0500	0.000	1	102.0500	0.000	1	102.0500	0.000	1	102.0500	0.000	1	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:1:	4:3:2:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:O[5]-2:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]C)(C[5]N[5]C)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(O[5]N[5])(COO)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]C)(C[5]N[5]C)(H){1|H<1>,2|C<3>,2|O<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(O[5]N[5])(COO){1|O<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	104.0820	0.000	1	104.0820	0.000	1	104.0820	0.000	1	104.0820	0.000	1	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:1:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:N[5]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(N[5]C[5]H)(H)	C[5,5](C[5,5]C[5,6a]N[5]H)(N[5]C[5,6a]S)(C[5]C[5]C)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(N[5]C[5]H)(H){1|H<1>,1|S<4>,5|C<3>}	C[5,5](C[5,5]C[5,6a]N[5]H)(N[5]C[5,6a]S)(C[5]C[5]C)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	101.5050	0.385	2	101.5050	0.148	2	101.5050	0.148	2	101.5050	0.148	2	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:1:	4:3:3:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:N[5]-3:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(C[5]C[5]C)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C)(N[5]C[5]H)(COO)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(C[5]C[5]C)(H){3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C)(N[5]C[5]H)(COO){1|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	104.3610	0.000	1	104.3610	0.000	1	104.3610	0.000	1	104.3610	0.000	1	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:1:	4:3:3:4:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:N[5]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(C[5]C[6a]C[5])(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]H)(C[5]C[5]O)(CH3)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(C[5]C[6a]C[5])(H){1|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]H)(C[5]C[5]O)(CH3){1|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|H<1>,4|C<3>}	103.1530	0.273	2	103.1530	0.074	2	103.1530	0.074	2	103.1530	0.074	2	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:1:	4:3:4:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]C)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(C[5]C[5]HH)(H)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]C)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(C[5]C[5]HH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]C){1|Si<4>,1|H<1>,1|O<1>,2|C<4>,3|C<3>}	105.0180	0.000	1	105.0180	0.000	1	105.0180	0.000	1	105.0180	0.000	1	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:1:	4:3:4:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:N[5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[3]C[5])(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[5]C[5]CC)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[3]C[5])(H){2|C<3>,3|H<1>,5|C<4>}	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[5]C[5]CC)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	101.8470	0.116	2	101.8470	0.013	2	102.1550	0.291	3	102.1550	0.291	3	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:1:	4:3:4:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:N[5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]C)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[5]C[5]CC)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]C)(H){2|C<3>,3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[5]C[5]CC)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	102.7710	0.000	1	102.7710	0.000	1	102.1550	0.291	3	102.1550	0.291	3	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:1:	4:4:2:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]C)(H)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]C)(H){1|O<1>,2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|O<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,5|H<1>}	103.4380	0.000	1	104.2250	0.906	3	103.5584	0.792	23	103.5584	0.792	23	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:1:	4:4:2:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]C)(H)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]C)(H){2|C<3>,5|H<1>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	104.6185	0.940	2	104.2250	0.906	3	103.5584	0.792	23	103.5584	0.792	23	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:1:	4:4:2:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]H)(H)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]H)(H){3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,6|H<1>}	103.2300	0.000	1	103.3153	0.163	3	103.5584	0.792	23	103.5584	0.792	23	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:1:	4:4:2:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]H)(H)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]H)(H){3|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){2|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	103.3580	0.561	2	103.3153	0.163	3	103.5584	0.792	23	103.5584	0.792	23	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:1:	4:4:2:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]Ir)(H)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]Ir)(H){3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|Ir<4>,3|C<3>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Ir<4>,1|O<2>,2|C<3>,5|H<1>}	103.0120	0.000	1	102.0987	0.634	3	103.5584	0.792	23	103.5584	0.792	23	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:1:	4:4:2:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]Ir)(H)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]Ir)(H){3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|Ir<6>,3|C<3>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Ir<6>,1|O<2>,2|C<3>,5|H<1>}	101.6420	0.129	2	102.0987	0.634	3	103.5584	0.792	23	103.5584	0.792	23	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:1:	4:4:2:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]Ni)(H)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]Ni)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|Ni<4>,1|C<4>,2|C<3>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Ni<4>,1|O<2>,2|C<3>,5|H<1>}	104.1080	0.214	4	103.9764	0.121	5	103.5584	0.792	23	103.5584	0.792	23	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:1:	4:4:2:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]Ni)(H)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]Ni)(H){3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|Ni<5>,3|C<3>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Ni<5>,1|O<2>,2|C<3>,5|H<1>}	103.4500	0.000	1	103.9764	0.121	5	103.5584	0.792	23	103.5584	0.792	23	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:1:	4:4:2:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]Rh)(H)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]Rh)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|Rh<4>,1|C<4>,2|C<3>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Rh<4>,1|O<2>,2|C<3>,5|H<1>}	104.4515	0.064	2	103.8010	1.272	3	103.5584	0.792	23	103.5584	0.792	23	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:1:	4:4:2:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]Rh)(H)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]Rh)(H){3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|Rh<8>,3|C<3>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Rh<8>,1|O<2>,2|C<3>,5|H<1>}	102.5000	0.000	1	103.8010	1.272	3	103.5584	0.792	23	103.5584	0.792	23	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:1:	4:4:2:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]S)(H)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]S)(H){1|O<1>,2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|O<1>,1|S<3>,2|C<3>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,1|S<3>,2|C<3>,5|H<1>}	102.9800	0.000	1	103.6030	0.879	3	103.5584	0.792	23	103.5584	0.792	23	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:1:	4:4:2:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]S)(H)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]S)(H){3|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|H<1>,1|S<4>,3|C<3>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,1|S<4>,5|H<1>}	103.9145	1.084	2	103.6030	0.879	3	103.5584	0.792	23	103.5584	0.792	23	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:1:	4:4:2:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]Zn)(H)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]Zn)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|Zn<4>,1|C<4>,2|C<3>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Zn<4>,1|O<2>,2|C<3>,5|H<1>}	103.8150	0.163	2	103.8150	0.026	2	103.5584	0.792	23	103.5584	0.792	23	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:1:	4:4:2:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]P[5]H)(H)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]P[5])(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]P[5]H)(H){1|B<4>,1|C<4>,2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]P[5])(H){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,1|P<4>,6|H<1>}	103.2030	0.000	1	103.2030	0.000	1	103.5584	0.792	23	103.5584	0.792	23	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:1:	4:4:2:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C[6]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]C[6]O[5])(C[5,6]C[5,6]C[6])(H)	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5]C[5,6a]HO)(O[5]C[5,6])(C[6]N[6]2)	C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]C[6]O[5])(C[5,6]C[5,6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5]C[5,6a]HO)(O[5]C[5,6])(C[6]N[6]2){2|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|O<2>,3|H<1>,4|C<3>}	103.3910	0.000	1	103.3910	0.000	1	103.3910	0.000	1	103.3910	0.000	1	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:1:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HN)(C[5]N[5]O)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HN)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|N<3>,3|H<1>}	104.3670	0.000	1	104.3670	0.000	1	104.3670	0.000	1	103.5200	0.787	4	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:1:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:H-1:	C[5,6]-4:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5]H)(C[5]C[5,6]C[6a])(H)	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[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5]H)(C[5]C[5,6]C[6a])(H){1|H<1>,1|O<2>,1|S<4>,6|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[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	102.7565	0.122	2	102.7565	0.015	2	102.7565	0.015	2	103.5200	0.787	4	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:1:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(N[5]S[5]C)(H)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(N[5]S[5]C)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(N[5]S[5]C)(H){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(N[5]S[5]C)(H){2|O<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|S<4>,2|C<3>,5|H<1>}	104.2000	0.000	1	104.2000	0.000	1	104.2000	0.000	1	103.5200	0.787	4	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:1:	4:4:3:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:N[5]-3:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(N[5]C[5]C)(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[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(N[5]C[5]C)(H){4|C<3>,4|H<1>}	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[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	103.3220	0.000	1	103.3220	0.000	1	103.3220	0.000	1	103.3220	0.000	1	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:1:	4:4:3:4:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:N[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(C[5]C[5]C)(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[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(C[5]C[5]C)(H){1|C<4>,3|C<3>,3|H<1>}	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[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>,3|C<4>}	102.8380	0.000	1	103.2100	0.277	2	103.2100	0.277	2	103.5167	0.421	3	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:1:	4:4:3:4:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:N[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(C[5]C[5]C)(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[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(C[5]C[5]C)(H){1|C<4>,3|C<3>,3|H<1>}	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[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	103.5820	0.000	1	103.2100	0.277	2	103.2100	0.277	2	103.5167	0.421	3	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:1:	4:4:3:4:	4:3:3:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2C)(N[5]C[5]S)(H)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(C[5]C[5]C)(CHHO)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2C)(N[5]C[5]S)(H){3|C<3>,5|H<1>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(C[5]C[5]C)(CHHO){1|S<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,4|H<1>}	104.1300	0.000	1	104.1300	0.000	1	104.1300	0.000	1	103.5167	0.421	3	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:1:	4:4:4:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(C[5]C[3x5]O)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5,5]C[3x5]N[5]H)(C[5]C[5,6a]HH)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(C[5]C[3x5]O)(H){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5,5]C[3x5]N[5]H)(C[5]C[5,6a]HH)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	105.0390	0.000	1	105.0390	0.000	1	105.0390	0.000	1	103.2893	1.703	6	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:1:	4:4:4:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(N[5]C[5]H)(H)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(C[5]C[5]HH)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(N[5]C[5]H)(H){1|O<1>,2|C<3>,5|H<1>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,6|H<1>}	104.7940	0.000	1	104.7940	0.000	1	102.9394	1.210	5	103.2893	1.703	6	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:1:	4:4:4:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(N[5]S[5]C)(H)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(C[5]S[5]HH)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(N[5]S[5]C)(H){2|C<3>,2|O<1>,5|H<1>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(C[5]S[5]HH)(H){2|O<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,5|H<1>}	102.4757	0.424	4	102.4757	0.180	4	102.9394	1.210	5	103.2893	1.703	6	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:2:	3:3:4:2:	3:4:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:O-2:	C[5,6a]-3:N[5,6]-3:C[5,5]-4:O-2:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5,6]O)(C[5]C[5,6]C)(OH)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(C[5,5]C[5,6a]C[5]O)(OH)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]O)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5,6]O)(C[5]C[5,6]C)(OH){1|C<4>,1|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(C[5,5]C[5,6a]C[5]O)(OH){1|C<4>,1|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,5|C<3>}	103.9920	0.000	1	103.9920	0.000	1	103.9920	0.000	1	103.9920	0.000	1	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:2:	3:4:2:2:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:O-2:	C[5,6a]-3:C[5,5]-4:O[5]-2:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]O)(C[5]C[5,6a]O)(OH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(O[5]C[5,6a])(OH)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]O)(C[5]C[5,6a]O)(OH){1|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(O[5]C[5,6a])(OH){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	101.8477	0.868	4	102.0910	0.607	6	101.9566	0.633	7	101.9566	0.633	7	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:2:	3:4:2:2:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:O-2:	C[5,6a]-3:C[5,5]-4:O[5]-2:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]O)(C[5]C[5,6a]O)(OH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(O[5]C[5,6a])(OH)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]O)(C[5]C[5,6a]O)(OH){1|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(O[5]C[5,6a])(OH){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H){1|C<4>,1|O<1>,2|O<2>,3|C<3>}	102.5775	0.260	2	102.0910	0.607	6	101.9566	0.633	7	101.9566	0.633	7	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:2:	3:4:2:2:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:O-2:	C[5,6a]-3:C[5,5]-4:O[5]-2:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]O)(C[5]C[5,6a]O)(OH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(O[5]C[5,6a])(OH)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]O)(C[5]C[5,6a]O)(OH){1|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(O[5]C[5,6a])(OH){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	101.1500	0.000	1	101.1500	0.000	1	101.9566	0.633	7	101.9566	0.633	7	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:2:	3:4:4:2:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:O-2:	C[5,6a]-3:C[5,5]-4:C[5]-4:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(OH)	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]HO)(OH)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(OH){1|O<2>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]HO)(OH){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	102.8595	2.599	2	103.1808	2.897	4	103.1808	2.897	4	103.1808	2.897	4	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:2:	3:4:4:2:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:O-2:	C[5,6a]-3:C[5,5]-4:C[5]-4:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(OH)	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]HO)(OH)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(OH){1|O<2>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]HO)(OH){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,3|O<2>}	102.6290	0.000	1	103.1808	2.897	4	103.1808	2.897	4	103.1808	2.897	4	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:2:	3:4:4:2:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:O-2:	C[5,6a]-3:C[5,5]-4:C[5]-4:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(OH)	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]HO)(OH)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(OH){1|O<2>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]HO)(OH){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|O<2>,3|C<3>,3|H<1>}	104.3750	0.000	1	103.1808	2.897	4	103.1808	2.897	4	103.1808	2.897	4	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:2:	4:2:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:O-2:	C[5,5]-4:S[5]-2:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]O)(OH)	C[5,5](C[5,5]C[5,6a]C[5]O)(S[5]C[5,6a])(C[5]N[5]C)(H)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]O)(OH){1|C<4>,1|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]O)(S[5]C[5,6a])(C[5]N[5]C)(H){1|C<4>,1|O<1>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	109.0490	0.242	4	109.0604	0.045	5	109.0604	0.045	5	109.0604	0.045	5	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:2:	4:2:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:O-2:	C[5,5]-4:S[5]-2:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]O)(OH)	C[5,5](C[5,5]C[5,6a]C[5]O)(S[5]C[5,6a])(C[5]N[5]C)(H)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]O)(OH){1|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]O)(S[5]C[5,6a])(C[5]N[5]C)(H){1|O<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	109.1060	0.000	1	109.0604	0.045	5	109.0604	0.045	5	109.0604	0.045	5	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:2:	4:2:4:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:O-2:	C[5,5]-4:S[5]-2:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]O)(OH)	C[5,5](C[5,5]C[5,6a]C[5]O)(S[5]C[5,6a])(C[5]N[5]CO)(H)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]O)(OH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,5](C[5,5]C[5,6a]C[5]O)(S[5]C[5,6a])(C[5]N[5]CO)(H){1|C<4>,1|O<1>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	107.6530	0.000	1	107.6530	0.000	1	107.6530	0.000	1	107.6530	0.000	1	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:2:	4:3:3:2:	4:3:3:	C[5,6a]-3:C[5,5]-4:N[5]-3:O-2:	C[5,5]-4:C[5,6]-3:C[5]-3:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]O)(N[5]C[5,6]C[6a])(OH)	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5,6]C[5,6]C[6])(C[5]C[5,6a]O)(OH)	C[5,6a](C[5,5]C[5,5]N[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]O)(N[5]C[5,6]C[6a])(OH){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5,6]C[5,6]C[6])(C[5]C[5,6a]O)(OH){1|O<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,5]C[5,5]N[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	103.9670	0.345	2	103.9670	0.119	2	104.2330	0.272	3	104.1050	0.247	4	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:2:	4:3:3:2:	4:3:3:	C[5,6a]-3:C[5,5]-4:N[5]-3:O-2:	C[5,5]-4:C[5,6]-3:C[5]-3:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]O)(N[5]C[5,6]H)(OH)	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5,6]C[5,6]C[6])(C[5]C[5,6a]O)(OH)	C[5,6a](C[5,5]C[5,5]N[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]O)(N[5]C[5,6]H)(OH){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5,6]C[5,6]C[6])(C[5]C[5,6a]O)(OH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]N[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	104.7650	0.000	1	104.7650	0.000	1	104.2330	0.272	3	104.1050	0.247	4	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:2:	4:3:3:2:	4:3:3:	C[5,6a]-3:C[5,5]-4:N[5]-3:O-2:	C[5,5]-4:C[5]-3:N[5]-3:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O)(N[5]C[5]H)(OH)	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5]C[5,6a]O)(N[5]C[5]H)(OH)	C[5,6a](C[5,5]C[5,5]N[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O)(N[5]C[5]H)(OH){2|C<3>,2|H<1>,2|O<1>}	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5]C[5,6a]O)(N[5]C[5]H)(OH){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,5]C[5,5]N[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	103.7210	0.000	1	103.7210	0.000	1	103.7210	0.000	1	104.1050	0.247	4	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:2:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:O-2:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]O)(OH)	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[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]O)(OH){4|C<3>,4|H<1>}	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[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	101.1330	0.000	1	101.1330	0.000	1	101.1330	0.000	1	105.2805	34.404	2	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:2:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:O-2:	C[5,5]-4:S[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]O)(OH)	C[5,5](C[5,5]C[5,6a]C[5]O)(S[5]C[5,6a]OO)(C[5]N[5]C)(H)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]O)(OH){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]O)(S[5]C[5,6a]OO)(C[5]N[5]C)(H){1|C<4>,1|O<1>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>,3|O<1>}	109.4280	0.000	1	109.4280	0.000	1	109.4280	0.000	1	105.2805	34.404	2	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:3:	3:4:2:4:	4:3:3:	C[5,6a]-3:C[5,5]-4:N[5]-3:N-3:	C[5,6a]-3:C[5,5]-4:O[5]-2:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]C)(N[5]C[5,6a]H)(NHH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]N[5]N)(O[5]C[5,6a])(CH3)	C[5,6a](C[5,5]C[5,5]N[5]N)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]C)(N[5]C[5,6a]H)(NHH){1|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]N[5]N)(O[5]C[5,6a])(CH3){2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]N[5]N)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	101.7150	0.000	1	101.7150	0.000	1	101.9700	0.130	2	101.9700	0.130	2	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:3:	3:4:2:4:	4:3:3:	C[5,6a]-3:C[5,5]-4:N[5]-3:N-3:	C[5,6a]-3:C[5,5]-4:O[5]-2:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]C)(N[5]C[5,6a]H)(NHS)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]N[5]N)(O[5]C[5,6a])(CH3)	C[5,6a](C[5,5]C[5,5]N[5]N)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]C)(N[5]C[5,6a]H)(NHS){1|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]N[5]N)(O[5]C[5,6a])(CH3){2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]N[5]N)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	102.2250	0.000	1	102.2250	0.000	1	101.9700	0.130	2	101.9700	0.130	2	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	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[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]O)(C[5]C[5,6a]O)(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[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]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[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	99.7008	0.000	1	99.7008	0.000	1	99.7008	0.000	1	99.7008	0.000	1	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	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[5,6a]-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[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]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[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	101.4440	0.000	1	101.4440	0.000	1	101.4440	0.000	1	101.4440	0.000	1	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:3:	4:3:3:2:	4:3:3:	C[5,6a]-3:C[5,5]-4:N[5]-3:N-3:	C[5,5]-4:C[5,6]-3:C[5]-3:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]O)(N[5]C[5,6]C[6a])(NC[6a]H)	C[5,5](C[5,5]C[5,6a]N[5]N)(C[5,6]C[5,6]C[6])(C[5]C[5,6a]O)(OH)	C[5,6a](C[5,5]C[5,5]N[5]N)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]O)(N[5]C[5,6]C[6a])(NC[6a]H){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]N[5]N)(C[5,6]C[5,6]C[6])(C[5]C[5,6a]O)(OH){1|O<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,5]C[5,5]N[5]N)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	104.2780	0.000	1	104.2780	0.000	1	104.2780	0.000	1	104.2780	0.000	1	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	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[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(C[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[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]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[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<4>,3|H<1>,5|C<3>}	101.4400	0.000	1	101.4400	0.000	1	101.4400	0.000	1	101.4400	0.000	1	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	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[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(C[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[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]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[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){3|C<4>,3|H<1>,4|C<3>}	101.9760	0.000	1	101.9760	0.000	1	101.9760	0.000	1	101.9760	0.000	1	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:4:	3:4:2:2:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:O[5]-2:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]O)(C[5]C[5,6a]O)(CC[5a]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(O[5]C[5,6a])(OH)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]O)(C[5]C[5,6a]O)(CC[5a]HH){1|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(O[5]C[5,6a])(OH){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	100.8030	0.000	1	100.8030	0.000	1	100.8030	0.000	1	100.8030	0.000	1	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:4:	3:4:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:C-4:	N[5,5a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5a]N[5]H)(C[5]C[5,5a]O)(CC[6a]HH)	C[5,5](N[5,5a]C[5,5a]C[5a])(C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5a]N[5]H)(C[5]C[5,5a]O)(CC[6a]HH){1|C<4>,1|H<1>,4|C<3>}	C[5,5](N[5,5a]C[5,5a]C[5a])(C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	102.0730	0.000	1	102.0730	0.000	1	101.8547	0.036	3	101.8547	0.036	3	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:4:	3:4:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:C-4:	N[5,5a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5a]N[5]H)(C[5]C[5,5a]O)(CH3)	C[5,5](N[5,5a]C[5,5a]C[5a])(C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5a]N[5]H)(C[5]C[5,5a]O)(CH3){1|C<4>,1|H<1>,4|C<3>}	C[5,5](N[5,5a]C[5,5a]C[5a])(C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	101.7455	0.011	2	101.7455	0.000	2	101.8547	0.036	3	101.8547	0.036	3	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:4:	3:4:3:4:	4:3:3:	C[5,6a]-3:C[5,5]-4:N[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:N[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]N[5]C)(N[5]C[5,6a]H)(CH3)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]N[5]C)(N[5]C[5,6a]H)(CH3)	C[5,6a](C[5,5]C[5,5]N[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]N[5]C)(N[5]C[5,6a]H)(CH3){1|H<1>,1|O<2>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]N[5]C)(N[5]C[5,6a]H)(CH3){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,5]C[5,5]N[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]O){1|C<4>,3|C<3>,4|H<1>}	100.6643	0.371	6	100.6643	0.138	6	100.6643	0.138	6	100.6643	0.138	6	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:4:	4:2:3:2:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:O[5]-2:C[5]-3:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]O)(C[5]C[5]O)(CH3)	C[5,5](C[5,5]C[5,6a]C[5]C)(O[5]C[5,6a])(C[5]C[5]N)(OH)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]O)(C[5]C[5]O)(CH3){1|N<3>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]C)(O[5]C[5,6a])(C[5]C[5]N)(OH){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,2|O<2>,3|C<3>}	102.3110	0.000	1	102.3110	0.000	1	102.3110	0.000	1	102.3110	0.000	1	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:4:	4:3:2:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5]C[5]C)(CC3)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O[5]C[5])(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5]C[5]C)(CC3){1|H<1>,1|O<2>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O[5]C[5])(H){1|C<2>,1|O<2>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|O<2>,3|C<3>,3|H<1>}	101.5940	0.000	1	101.5940	0.000	1	101.5940	0.000	1	101.6135	0.001	2	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	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[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[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[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]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[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	101.6330	0.000	1	101.6330	0.000	1	101.6330	0.000	1	101.6135	0.001	2	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	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[5,6a]-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[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]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[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	101.1690	0.000	1	101.1690	0.000	1	101.1690	0.000	1	101.1690	0.000	1	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	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[5,6a]-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[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]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[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	99.2985	0.000	1	99.7388	0.388	2	99.7388	0.388	2	99.7388	0.388	2	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	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[5,6a]-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[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]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[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	100.1790	0.000	1	99.7388	0.388	2	99.7388	0.388	2	99.7388	0.388	2	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:4:	4:3:3:2:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:N[5]-3:C[5]-3:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O)(C[5]N[5]O)(CCHH)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]O)(C[5]N[5]O)(OH)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O)(C[5]N[5]O)(CCHH){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]O)(C[5]N[5]O)(OH){1|O<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	102.4150	0.488	4	102.4150	0.238	4	102.4150	0.238	4	102.4150	0.238	4	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:3:4:	4:3:4:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]C)(CCHH)	C[5,5](C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]C[6a])(C[5]C[5]CC)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]C)(CCHH){1|H<1>,2|C<4>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]C[6a])(C[5]C[5]CC)(H){6|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	101.8750	0.000	1	101.8750	0.000	1	101.8750	0.000	1	101.8750	0.000	1	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	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[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[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[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	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[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|N<3>,1|O<2>,3|C<3>,7|H<1>}	102.2400	0.000	1	102.2400	0.000	1	102.2400	0.000	1	102.2400	0.000	1	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:1:	3:3:4:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]2H)(C[5]C[5,6a]HH)(H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]O)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]2H)(C[5]C[5,6a]HH)(H){1|O<2>,5|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(H){1|O<2>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]O){4|H<1>,5|C<3>}	103.3990	0.000	1	103.3990	0.000	1	103.3990	0.000	1	103.3990	0.000	1	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:1:	3:4:2:4:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5a]-3:C[5,5]-4:O[5]-2:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5a]O[5]C)(C[5]C[5,5a]HH)(H)	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(CH3)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5a]O[5]C)(C[5]C[5,5a]HH)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(CH3){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	101.2670	0.000	1	101.2670	0.000	1	101.2670	0.000	1	101.2670	0.000	1	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:1:	3:4:4:1:	4:3:2:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[5,5](C[5,6a]C[5,6a]N[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]BrH)(H)	C[5,5](C[5,6a]C[5,6a]N[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]BrH)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])	C[5,5](C[5,6a]C[5,6a]N[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]BrH)(H){1|Br<1>,1|H<1>,1|N<2>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]N[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]BrH)(H){1|Br<1>,1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a]){2|Br<1>,4|C<3>,4|H<1>}	101.8772	0.466	6	101.8772	0.217	6	102.0794	0.468	7	102.0794	0.468	7	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:1:	3:4:4:1:	4:3:2:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[5,5](C[5,6a]C[5,6a]N[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H)	C[5,5](C[5,6a]C[5,6a]N[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])	C[5,5](C[5,6a]C[5,6a]N[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H){1|N<2>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]N[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H){1|N<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a]){4|C<3>,6|H<1>}	103.2930	0.000	1	103.2930	0.000	1	102.0794	0.468	7	102.0794	0.468	7	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:1:	3:4:4:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a]H)(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[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a]H)(H){2|H<1>,7|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[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,4|H<1>,5|C<3>}	103.3236	0.775	5	102.9324	0.929	10	102.9324	0.929	10	102.9324	0.929	10	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:1:	3:4:4:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a]H)(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[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a]H)(H){2|H<1>,7|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[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|O<2>,3|H<1>,5|C<3>}	102.5412	1.052	5	102.9324	0.929	10	102.9324	0.929	10	102.9324	0.929	10	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:1:	3:4:4:2:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]C[6a]H)(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]O)(OH)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]C[6a]H)(H){1|H<1>,1|O<2>,7|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[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,4|O<2>,5|C<3>}	103.0180	0.000	1	103.0180	0.000	1	103.0180	0.000	1	103.0180	0.000	1	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:1:	4:2:2:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[6a,6a]-3:C[5,5]-4:C[5,6a]-3:	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]O[5]2H)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(O[5]C[5])(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]O[5]2H)(C[5]C[5]HH)(H){2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(O[5]C[5])(H){2|C<3>,4|H<1>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5]){1|C<4>,2|C<3>,2|O<2>,5|H<1>}	101.8160	0.000	1	101.8160	0.000	1	101.8160	0.000	1	101.8160	0.000	1	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:1:	4:2:2:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]2H)(C[5]C[5]CH)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(O[5]C[5])(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]2H)(C[5]C[5]CH)(H){2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(O[5]C[5])(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	102.4730	0.000	1	102.4550	0.001	2	102.0798	0.443	8	102.0798	0.443	8	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:1:	4:2:2:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]2H)(C[5]C[5]CH)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(O[5]C[5])(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]2H)(C[5]C[5]CH)(H){2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(O[5]C[5])(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	102.4370	0.000	1	102.4550	0.001	2	102.0798	0.443	8	102.0798	0.443	8	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:1:	4:2:2:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]2H)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(O[5]C[5])(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6,6a]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]2H)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(O[5]C[5])(H){2|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6,6a]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	101.9770	0.016	2	101.9770	0.000	2	102.0798	0.443	8	102.0798	0.443	8	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:1:	4:2:2:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]2H)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(O[5]C[5])(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]2H)(C[5]C[5]HH)(H){2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(O[5]C[5])(H){2|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|F<1>,3|H<1>}	102.3990	0.025	2	102.4193	0.002	3	102.0798	0.443	8	102.0798	0.443	8	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:1:	4:2:2:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]2H)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(O[5]C[5])(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]2H)(C[5]C[5]HH)(H){2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(O[5]C[5])(H){2|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	102.4600	0.000	1	102.4193	0.002	3	102.0798	0.443	8	102.0798	0.443	8	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:1:	4:2:2:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]2H)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(O[5]C[5])(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]2H)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(O[5]C[5])(H){2|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	100.5160	0.000	1	100.5160	0.000	1	102.0798	0.443	8	102.0798	0.443	8	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:1:	4:2:2:4:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:O[5]-2:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]2C)(C[5]C[5]CH)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(O[5]C[5])(CF3)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]2C)(C[5]C[5]CH)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(O[5]C[5])(CF3){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	100.2900	0.000	1	100.2900	0.000	1	100.2900	0.000	1	100.2900	0.000	1	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:1:	4:2:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(C[5]C[5]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(H){2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(C[5]C[5]H)(H){2|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	101.2460	0.000	1	101.2460	0.000	1	101.2460	0.000	1	101.2460	0.000	1	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:1:	4:2:3:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:C[5]-3:N-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]N)(C[5]C[6a]C[5]H)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(C[5]C[5]H)(NOO)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]N)(C[5]C[6a]C[5]H)(H){2|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(C[5]C[5]H)(NOO){1|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	100.9790	0.000	1	100.9790	0.000	1	100.9790	0.000	1	100.9790	0.000	1	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:1:	4:2:4:4:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:O[5]-2:C[5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]C)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(C[5]C[5]CH)(CH3)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]C)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(C[5]C[5]CH)(CH3){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){2|C<3>,3|C<4>,3|H<1>}	101.5150	0.117	2	101.5150	0.014	2	101.5150	0.014	2	101.5150	0.014	2	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:1:	4:3:2:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(O[5]C[5])(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5]C[5]HH)(H){1|S<4>,2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(O[5]C[5])(H){2|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,1|S<4>,5|H<1>}	104.1763	0.563	4	104.1981	0.181	9	104.1981	0.181	9	103.8234	1.565	10	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:1:	4:3:2:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(O[5]C[5])(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5]C[5]HH)(H){1|S<4>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(O[5]C[5])(H){3|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,1|S<4>,5|H<1>}	104.2156	0.351	5	104.1981	0.181	9	104.1981	0.181	9	103.8234	1.565	10	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:1:	4:3:2:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:O-1:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5]C[5]HH)(O)	C[5,5](C[5,5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O[5]C[5])(H)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5]C[5]HH)(O){1|C<4>,2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O[5]C[5])(H){2|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	100.4510	0.000	1	100.4510	0.000	1	100.4510	0.000	1	103.8234	1.565	10	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:1:	4:3:2:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:O[5]-2:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]C)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(O[5]C[5])(CCH)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]C)(C[5]C[5]HH)(H){1|S<4>,2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(O[5]C[5])(CCH){2|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,4|H<1>}	105.2483	0.423	3	105.2483	0.179	3	105.2483	0.179	3	105.2483	0.179	3	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:1:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:Br-1:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(Br)	C[5,5](C[5,5]C[5,6a]C[5]Br)(N[5]C[5,6a]C)(N[5]C[5]C)(H)	C[5,6a](C[5,5]C[5,5]C[5]Br)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(Br){3|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]Br)(N[5]C[5,6a]C)(N[5]C[5]C)(H){2|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]Br)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	102.6510	0.000	1	102.6510	0.000	1	102.3745	0.153	2	103.0556	1.145	11	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:1:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:Br-1:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(Br)	C[5,5](C[5,5]C[5,6a]C[5]Br)(N[5]C[5,6a]S)(N[5]C[5]S)(H)	C[5,6a](C[5,5]C[5,5]C[5]Br)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(Br){2|H<1>,2|S<4>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]Br)(N[5]C[5,6a]S)(N[5]C[5]S)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]Br)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|S<4>,5|H<1>}	102.0980	0.000	1	102.0980	0.000	1	102.3745	0.153	2	103.0556	1.145	11	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:1:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]CH)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(N[5]C[5]C)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]CH)(H){1|C<4>,2|O<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(N[5]C[5]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	103.0860	0.000	1	103.0860	0.000	1	103.5970	0.522	2	103.0556	1.145	11	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:1:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]CH)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(N[5]C[5]C)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]CH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(N[5]C[5]C)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	104.1080	0.000	1	104.1080	0.000	1	103.5970	0.522	2	103.0556	1.145	11	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:1:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]CH)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(C[5]C[5]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]CH)(H){1|S<4>,2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(C[5]C[5]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	103.9300	0.000	1	103.9300	0.000	1	102.5890	1.630	3	103.0556	1.145	11	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:1:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[5]C[5]C)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]HH)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[5]C[5]C)(H){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,4|H<1>}	101.9185	0.750	2	101.9185	0.563	2	102.5890	1.630	3	103.0556	1.145	11	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:1:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(N[5]C[5]C)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	101.8700	0.000	1	101.8700	0.000	1	103.5840	2.251	3	103.0556	1.145	11	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:1:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(N[5]C[5]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(H){3|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(N[5]C[5]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	104.4410	0.310	2	104.4410	0.096	2	103.5840	2.251	3	103.0556	1.145	11	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:1:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[5,5]-4:H-1:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]N[5]2H)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(N[5]C[5]S)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]N[5]2H)(H){1|S<4>,2|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(N[5]C[5]S)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	103.1500	0.000	1	103.1500	0.000	1	103.1500	0.000	1	103.0556	1.145	11	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:1:	4:3:3:4:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:F-1:	C[5,5]-4:N[5]-3:N[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2C)(C[5]C[5]HH)(F)	C[5,5](C[5,5]C[5,6a]C[5]F)(N[5]C[5,6a]C)(N[5]C[5]C)(CH3)	C[5,6a](C[5,5]C[5,5]C[5]F)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2C)(C[5]C[5]HH)(F){3|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]F)(N[5]C[5,6a]C)(N[5]C[5]C)(CH3){2|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]F)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	102.2870	0.000	1	102.2870	0.000	1	102.2870	0.000	1	102.2870	0.000	1	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:1:	4:3:4:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]O[5]CO)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[5]O[5]CC)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]O[5]CO)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[5]O[5]CC)(H){1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	102.5760	0.000	1	102.5760	0.000	1	102.5760	0.000	1	102.5760	0.000	1	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:1:	4:4:2:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(H)	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[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	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[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	101.5520	0.372	2	101.5520	0.138	2	101.5520	0.138	2	101.5520	0.138	2	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:1:	4:4:2:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]C)(C[5]C[5]HH)(H)	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[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]C)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,1|O<2>,3|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[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){3|H<1>,3|O<2>,4|C<3>}	101.9790	0.000	1	101.9790	0.000	1	102.4535	0.450	2	101.9940	0.859	3	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:1:	4:4:2:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]C)(C[5]C[5]HH)(H)	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[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]C)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,1|O<2>,3|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[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,3|O<2>,4|C<3>}	102.9280	0.000	1	102.9280	0.000	1	102.4535	0.450	2	101.9940	0.859	3	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:1:	4:4:2:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:N-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]N)(C[5]N[5]CH)(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[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]N)(C[5]N[5]CH)(H){3|C<3>,3|H<1>}	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[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|N<3>,3|H<1>}	101.0750	0.000	1	101.0750	0.000	1	101.0750	0.000	1	101.9940	0.859	3	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:1:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[6a]C[5])(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[6a]C[5])(H){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,7|H<1>}	102.6140	0.000	1	102.6140	0.000	1	103.1951	0.172	8	103.1781	0.753	14	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:1:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]HN)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]HN)(H){3|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|N<3>,3|C<3>,6|H<1>}	103.8310	0.000	1	103.8310	0.000	1	103.1951	0.172	8	103.1781	0.753	14	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:1:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]O[5]CH)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(C[5]O[5]O)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]O[5]CH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(C[5]O[5]O)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	103.1860	0.303	6	103.1860	0.092	6	103.1951	0.172	8	103.1781	0.753	14	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:1:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]O[5]CC)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(N[5]C[6a]O[5])(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]O[5]CC)(H){3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(N[5]C[6a]O[5])(H){1|C<4>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,5|H<1>}	104.0960	0.000	1	104.0960	0.000	1	104.3595	0.139	2	103.1781	0.753	14	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:1:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]O[5]CH)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(N[5]C[6a]O[5])(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]O[5]CH)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(N[5]C[6a]O[5])(H){1|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,5|H<1>}	104.6230	0.000	1	104.6230	0.000	1	104.3595	0.139	2	103.1781	0.753	14	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:1:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]O)(C[5,5]C[5]N[5]H)(H)	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5]C[5,6]CH)(N[5]C[5,6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]O)(C[5,5]C[5]N[5]H)(H){2|C<4>,3|C<3>,6|H<1>}	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5]C[5,6]CH)(N[5]C[5,6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	102.9480	0.000	1	102.9480	0.000	1	103.1245	0.062	2	103.1781	0.753	14	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:1:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(C[5,5]C[5]N[5]H)(H)	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5]C[5,6]CH)(N[5]C[5,6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(C[5,5]C[5]N[5]H)(H){2|C<4>,3|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5]C[5,6]CH)(N[5]C[5,6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|I<1>,1|O<2>,2|C<4>,4|H<1>}	103.3010	0.000	1	103.3010	0.000	1	103.1245	0.062	2	103.1781	0.753	14	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:1:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(C[5]C[5]O)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(C[5]C[5]O)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,4|C<3>,5|H<1>}	100.8160	0.000	1	100.8160	0.000	1	101.9820	2.719	2	103.1781	0.753	14	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:1:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(C[5]O[5]O)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(C[5]O[5]O)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	103.1480	0.000	1	103.1480	0.000	1	101.9820	2.719	2	103.1781	0.753	14	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:1:	4:4:3:2:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:N[5]-3:C-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(N[5]C[5]H)(CN)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(N[5]C[5]H)(CN){2|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<2>,1|C<3>,1|N<3>,2|C<4>,4|H<1>}	101.1430	0.000	2	101.1430	0.000	2	101.1430	0.000	2	101.1430	0.000	2	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:1:	4:4:4:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[5]C)(C[5]C[5]HH)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|C<2>,1|C<4>,2|C<3>,5|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[5]C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,1|C<3>,3|C<4>,5|H<1>}	101.5290	0.000	1	101.5290	0.000	1	101.5290	0.000	1	105.3455	29.131	2	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:1:	4:4:4:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:S[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]CH)(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[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]CH)(H){2|O<1>,3|C<3>,3|H<1>}	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[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|O<1>,4|H<1>}	109.1620	0.000	1	109.1620	0.000	1	109.1620	0.000	1	105.3455	29.131	2	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:2:	3:4:3:2:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:O-2:	C[5,6a]-3:C[5,5]-4:C[5]-3:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]HO)(OH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(OH)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]HO)(OH){1|H<1>,1|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(OH){1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	102.6660	0.000	1	103.3762	0.355	4	103.3762	0.355	4	103.3762	0.355	4	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:2:	3:4:3:2:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:O-2:	C[5,6a]-3:C[5,5]-4:C[5]-3:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]HO)(OH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(OH)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]HO)(OH){1|H<1>,1|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(OH){1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,3|O<2>}	103.1060	0.000	1	103.3762	0.355	4	103.3762	0.355	4	103.3762	0.355	4	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:2:	3:4:3:2:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:O-2:	C[5,6a]-3:C[5,5]-4:C[5]-3:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]HO)(OH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(OH)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]HO)(OH){1|H<1>,1|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(OH){1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|O<2>,3|C<3>,3|H<1>}	103.8665	0.081	2	103.3762	0.355	4	103.3762	0.355	4	103.3762	0.355	4	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:2:	3:4:4:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:O-2:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a]O)(OH)	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[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a]O)(OH){2|H<1>,7|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[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,3|O<2>,5|C<3>}	102.2630	0.000	1	102.2630	0.000	1	102.2630	0.000	1	102.2630	0.000	1	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:2:	3:4:4:2:	3:4:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:O-2:	C[5,6a]-3:C[5,5]-4:C[5]-4:O-2:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]S[5]CH)(OH)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]S[5]CH)(OH)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]O)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]S[5]CH)(OH){2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]S[5]CH)(OH){2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<2>,2|H<1>,4|C<3>}	104.0510	0.638	2	104.0510	0.407	2	104.0510	0.407	2	104.0510	0.407	2	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:2:	4:3:2:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:O-2:	C[5,5]-4:N[5]-3:N[5]-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(OH)	C[5,5](C[5,5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(N[5]C[5])(H)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(OH){2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(N[5]C[5])(H){3|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	103.6900	0.000	1	103.6900	0.000	1	103.6900	0.000	1	103.6900	0.000	1	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:2:	4:3:2:4:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:O-2:	C[5,5]-4:N[5]-3:O[5]-2:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]C)(C[5]C[5]HH)(OH)	C[5,5](C[5,5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O[5]C[5])(CH3)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]C)(C[5]C[5]HH)(OH){1|H<1>,1|O<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O[5]C[5])(CH3){1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	101.9443	0.403	3	101.9443	0.162	3	101.9443	0.162	3	101.9443	0.162	3	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:2:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:N-2:	C[5,5]-4:N[5,6]-3:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,6]N[5]H)(C[5]C[5,6]HH)(NN)	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5,6]C[5,6]C[6])(N[5]C[5,6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,6]N[5]H)(C[5]C[5,6]HH)(NN){3|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5,6]C[5,6]C[6])(N[5]C[5,6a]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	102.9310	0.000	1	102.9310	0.000	1	102.9310	0.000	1	101.2054	1.645	6	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:2:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:N-2:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(NC[6a])	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]H)(N[5]C[5]C)(H)	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(NC[6a]){3|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]H)(N[5]C[5]C)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	99.6867	0.000	1	99.6867	0.000	1	99.6867	0.000	1	101.2054	1.645	6	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:2:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:O-2:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(OH)	C[5,5](C[5,5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(N[5]C[5]C)(H)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(OH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,5](C[5,5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	100.8990	0.000	1	100.8990	0.000	1	100.8990	0.000	1	101.2054	1.645	6	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:2:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:O[5]-2:	C[5,5]-4:N[5,5]-3:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(C[5]C[5]HH)(O[5]C[5])	C[5,5](C[5,5]C[5,6a]C[5]O[5])(N[5,5]C[5,6a]C[5])(N[5]C[5]O)(H)	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(C[5]C[5]HH)(O[5]C[5]){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]O[5])(N[5,5]C[5,6a]C[5])(N[5]C[5]O)(H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	102.2270	0.000	1	102.2270	0.000	1	101.0705	2.675	2	101.2054	1.645	6	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:2:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:O[5]-2:	C[5,5]-4:N[5,5]-3:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(C[5]C[5]HH)(O[5]C[5])	C[5,5](C[5,5]C[5,6a]C[5]O[5])(N[5,5]C[5,6a]C[5])(N[5]C[5]S)(H)	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(C[5]C[5]HH)(O[5]C[5]){1|C<4>,1|N<3>,1|O<1>,1|S<4>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]O[5])(N[5,5]C[5,6a]C[5])(N[5]C[5]S)(H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	99.9140	0.000	1	99.9140	0.000	1	101.0705	2.675	2	101.2054	1.645	6	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:2:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[5,5]-4:O-2:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]N[5]2H)(OC)	C[5,5](C[5,5]C[5,6a]C[5]O)(N[5]C[5,6a]H)(N[5]C[5]S)(H)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]N[5]2H)(OC){1|S<4>,4|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]O)(N[5]C[5,6a]H)(N[5]C[5]S)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|Br<1>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	101.5750	0.000	1	101.5750	0.000	1	101.5750	0.000	1	101.2054	1.645	6	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:2:	4:3:3:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:O-2:	C[5,5]-4:N[5]-3:N[5]-3:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2C)(C[5]C[5]HH)(OH)	C[5,5](C[5,5]C[5,6a]C[5]O)(N[5]C[5,6a]H)(N[5]C[5]C)(CNO)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2C)(C[5]C[5]HH)(OH){3|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]O)(N[5]C[5,6a]H)(N[5]C[5]C)(CNO){2|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	100.4920	0.000	1	100.4920	0.000	1	100.4920	0.000	1	100.4920	0.000	1	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:2:	4:4:3:2:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5,6]-4:O-2:	C[5,5]-4:C[5,6]-4:C[5]-3:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]O)(C[5,6]C[5,6]C[6]H)(OH)	C[5,5](C[5,5]C[5,6a]C[5,6]O)(C[5,6]C[5,6]C[6]H)(C[5]C[5,6a]O)(OH)	C[5,6a](C[5,5]C[5,5]C[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]O)(C[5,6]C[5,6]C[6]H)(OH){1|C<4>,1|N<3>,2|C<3>,2|O<1>,4|H<1>}	C[5,5](C[5,5]C[5,6a]C[5,6]O)(C[5,6]C[5,6]C[6]H)(C[5]C[5,6a]O)(OH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]C[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	104.9610	0.000	2	104.9610	0.000	2	104.9610	0.000	2	104.0257	2.625	3	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:2:	4:4:3:2:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5,5]-4:O-2:	C[5,5]-4:C[5]-4:N[5]-3:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,5]C[5]N[5]O)(OH)	C[5,5](C[5,5]C[5,6a]C[5,6]O)(C[5]C[5,6]CC)(N[5]C[5,6a]H)(OH)	C[5,6a](C[5,5]C[5,5]C[5,6]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,5]C[5]N[5]O)(OH){1|N<3>,2|C<3>,4|C<4>,4|H<1>}	C[5,5](C[5,5]C[5,6a]C[5,6]O)(C[5]C[5,6]CC)(N[5]C[5,6a]H)(OH){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5,6]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	102.1550	0.000	1	102.1550	0.000	1	102.1550	0.000	1	104.0257	2.625	3	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:2:	4:4:4:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:C[5,5]-4:O-2:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5,5]C[5]3)(OH)	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[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5,5]2O)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5,5]C[5]3)(OH){1|O<1>,6|C<3>,7|H<1>}	C[5,5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(H){1|C<4>,1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5,5]2O)(C[6a]C[6a]H){2|C<3>,3|C<4>,5|H<1>}	104.9410	0.000	1	103.1165	6.658	2	103.1165	6.658	2	103.1165	6.658	2	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:2:	4:4:4:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:C[5,5]-4:O-2:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5,5]C[5]3)(OH)	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[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5,5]2O)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5,5]C[5]3)(OH){1|O<2>,6|C<3>,8|H<1>}	C[5,5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(H){1|H<1>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5,5]2O)(C[6a]C[6a]H){1|C<3>,4|C<4>,5|H<1>}	101.2920	0.000	1	103.1165	6.658	2	103.1165	6.658	2	103.1165	6.658	2	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:2:	4:4:4:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:O-2:	C[5,5]-4:C[5]-4:C[5]-4:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2C)(C[5]C[5]HH)(OH)	C[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]HH)(C[5]C[5]HH)(COO)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2C)(C[5]C[5]HH)(OH){3|C<3>,5|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]HH)(C[5]C[5]HH)(COO){2|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,6|H<1>}	100.8230	0.000	1	100.8230	0.000	1	100.8230	0.000	1	100.8230	0.000	1	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:3:	4:2:4:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:N-3:	C[5,5]-4:S[5]-2:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]HH)(NOO)	C[5,5](C[5,5]C[5,6a]C[5]N)(S[5]C[5,6a])(C[5]N[5]HH)(H)	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]HH)(NOO){1|C<4>,2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]N)(S[5]C[5,6a])(C[5]N[5]HH)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	108.8880	0.000	1	108.8880	0.000	1	108.8880	0.000	1	108.8880	0.000	1	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:3:	4:2:4:2:	3:4:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:O[5]-2:C[5]-4:O-2:	C[6a,6a]-3:C[5,5]-4:C[5,6a]-3:	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[5]O[5]O)(C[5]C[5]HH)(COO)	C[5,5](C[5,5]C[5,6a]C[5]C)(O[5]C[5,6a])(C[5]C[5]HH)(OH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]O[5])	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[5]O[5]O)(C[5]C[5]HH)(COO){3|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]C)(O[5]C[5,6a])(C[5]C[5]HH)(OH){2|C<3>,4|H<1>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]O[5]){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	101.6190	0.025	4	101.6190	0.001	4	101.6190	0.001	4	101.6190	0.001	4	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:3:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:C[5,5]-4:N-3:	C[5,5]-4:N[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]N[5]H)(NOO)	C[5,5](C[5,5]C[5,6a]C[5,5]N)(N[5]C[5,6a]C)(C[5]C[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5,5]2N)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]N[5]H)(NOO){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,5]N)(N[5]C[5,6a]C)(C[5]C[5]H)(H){5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5,5]2N)(C[6a]C[6a]H){3|H<1>,6|C<3>}	103.2410	0.103	2	103.2410	0.011	2	103.2410	0.011	2	103.2410	0.011	2	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:3:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(COO)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(COO){2|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]H)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	103.9895	0.117	4	103.9895	0.014	4	103.9895	0.014	4	104.1506	1.908	13	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:3:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:N-3:	C[5,5]-4:N[5]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]HH)(NOO)	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(C[5]C[5]C)(H)	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]HH)(NOO){2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(C[5]C[5]C)(H){2|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){4|C<3>,5|H<1>}	103.2830	0.000	1	103.2830	0.000	1	103.2830	0.000	1	104.1506	1.908	13	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:3:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:N-3:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]CH)(NOO)	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(N[5]C[5]S)(H)	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]CH)(NOO){1|S<4>,3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(N[5]C[5]S)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	105.9200	0.420	2	105.9200	0.176	2	104.3396	3.102	8	104.1506	1.908	13	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:3:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:N-3:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]CH)(NOO)	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]S)(N[5]C[5]S)(H)	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]C)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]CH)(NOO){2|H<1>,2|S<4>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]S)(N[5]C[5]S)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]C){1|C<4>,1|N<3>,1|S<4>,2|C<3>,4|H<1>}	104.3540	0.000	1	104.3540	0.000	1	104.3396	3.102	8	104.1506	1.908	13	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:3:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:N-3:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(NC[6a]H)	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]H)(N[5]C[5]S)(H)	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(NC[6a]H){1|S<4>,2|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]H)(N[5]C[5]S)(H){2|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	102.0970	0.000	1	102.5120	0.205	3	104.3396	3.102	8	104.1506	1.908	13	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:3:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:N-3:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(NC[6a]H)	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]H)(N[5]C[5]S)(H)	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(NC[6a]H){1|S<4>,3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]H)(N[5]C[5]S)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	102.7195	0.388	2	102.5120	0.205	3	104.3396	3.102	8	104.1506	1.908	13	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:3:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:N-3:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(NOO)	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]N)(N[5]C[5]C)(H)	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(NOO){1|N<2>,2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]N)(N[5]C[5]C)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,5|H<1>}	105.4935	1.858	2	105.4935	3.451	2	104.3396	3.102	8	104.1506	1.908	13	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:3:	4:3:4:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:N-3:	C[5,5]-4:N[5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]CH)(NOO)	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(C[5]C[5]CC)(H)	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]CH)(NOO){2|C<2>,3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(C[5]C[5]CC)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	104.5945	0.446	4	104.5945	0.199	4	104.3323	0.370	7	104.3323	0.370	7	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:3:	4:3:4:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:N-3:	C[5,5]-4:N[5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]CH)(NOO)	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]S)(C[5]C[5]CC)(H)	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]C)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]CH)(NOO){1|S<4>,2|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]S)(C[5]C[5]CC)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]C){1|S<4>,2|C<3>,2|C<4>,4|H<1>}	104.5530	0.000	1	104.5530	0.000	1	104.3323	0.370	7	104.3323	0.370	7	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:3:	4:3:4:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:N-3:	C[5,5]-4:N[5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]CH)(NOO)	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]S)(C[5]C[5]CC)(H)	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]CH)(NOO){1|S<4>,3|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]S)(C[5]C[5]CC)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,4|H<1>}	103.1990	0.000	1	103.1990	0.000	1	104.3323	0.370	7	104.3323	0.370	7	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:3:	4:3:4:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:N-3:	C[5,5]-4:N[5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[6a]N[5]H)(NOO)	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]S)(C[5]N[5]CC)(H)	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[6a]N[5]H)(NOO){1|C<4>,1|S<4>,3|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]S)(C[5]N[5]CC)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<4>,1|S<4>,2|C<3>,4|H<1>}	104.1960	0.000	1	104.1960	0.000	1	104.3323	0.370	7	104.3323	0.370	7	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:4:	4:3:2:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5]C[5]HH)(CC[6a]CH)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O[5]C[5])(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5]C[5]HH)(CC[6a]CH){3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O[5]C[5])(H){2|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	101.1870	0.000	1	101.1870	0.000	1	101.1870	0.000	1	102.0733	0.712	4	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:4:	4:3:2:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:N[5]-3:N[5]-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5,5]N[5]2H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(N[5]C[5])(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5,5]N[5]2H)(C[5]C[5]HH){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(N[5]C[5])(H){1|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<2>,2|C<4>,4|C<3>,5|H<1>}	103.1010	0.000	1	103.1010	0.000	1	103.1010	0.000	1	102.0733	0.712	4	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:4:	4:3:2:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5,5]N[5]O[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O[5]C[5])(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5,5]N[5]O[5]H)(C[5]C[5]HH){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O[5]C[5])(H){4|C<3>,5|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	102.3790	0.000	1	102.3790	0.000	1	102.0025	0.284	2	102.0733	0.712	4	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:4:	4:3:2:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]N)(C[5,5]N[5]O[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O[5]C[5])(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]N)(C[5,5]N[5]O[5]H)(C[5]C[5]HH){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O[5]C[5])(H){1|N<3>,4|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,6|H<1>}	101.6260	0.000	1	101.6260	0.000	1	102.0025	0.284	2	102.0733	0.712	4	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:4:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:C[5,5]-4:C-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5,5]N[5]2H)(CH3)	C[5,5](C[5,5]C[5,6a]C[5,5]C)(N[5]C[5,6a]C)(N[5]C[5]S)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5,5]2C)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5,5]N[5]2H)(CH3){1|C<4>,1|N<3>,1|O<1>,1|S<4>,3|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,5]C)(N[5]C[5,6a]C)(N[5]C[5]S)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5,5]2C)(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	101.8610	0.000	1	101.8610	0.000	1	101.8610	0.000	1	101.8610	0.000	1	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:4:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]HH)(CH3)	C[5,5](C[5,5]C[5,6a]C[5]C)(C[5]C[6a]C[5])(N[5]C[5,6a]C)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]HH)(CH3){1|H<1>,2|C<4>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]C)(C[5]C[6a]C[5])(N[5]C[5,6a]C)(H){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	102.5465	0.131	2	102.5465	0.017	2	102.5465	0.017	2	101.5943	0.785	23	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:4:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:N[5]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(CH3)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(C[5]C[5]C)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(CH3){1|C<4>,2|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(C[5]C[5]C)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	101.5730	0.000	1	101.5730	0.000	1	101.5730	0.000	1	101.5943	0.785	23	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:4:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CC3)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]C)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CC3){2|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]C)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	99.9259	0.000	1	99.9259	0.000	1	101.1780	1.115	8	101.5943	0.785	23	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:4:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CC3)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(N[5]C[5]C)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CC3){3|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(N[5]C[5]C)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	100.3430	0.000	1	100.3430	0.000	1	101.1780	1.115	8	101.5943	0.785	23	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:4:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CC3)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(N[5]C[5]S)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CC3){1|S<4>,2|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(N[5]C[5]S)(H){2|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	100.3920	0.000	1	100.3920	0.000	1	101.1780	1.115	8	101.5943	0.785	23	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:4:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CCHH)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]S)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CCHH){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]S)(H){2|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	102.2380	0.000	1	102.2380	0.000	1	101.1780	1.115	8	101.5943	0.785	23	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:4:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CCHH)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(N[5]C[5]S)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CCHH){1|S<4>,2|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(N[5]C[5]S)(H){2|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	100.5670	0.000	1	100.5670	0.000	1	101.1780	1.115	8	101.5943	0.785	23	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:4:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CC[6a]HH)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(N[5]C[5]C)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CC[6a]HH){1|C<4>,2|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(N[5]C[5]C)(H){2|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|I<1>,1|N<3>,5|H<1>}	102.9750	0.000	1	102.9750	0.000	1	101.1780	1.115	8	101.5943	0.785	23	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:4:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CH3)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]C)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CH3){1|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]C)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	101.4630	0.000	1	101.4630	0.000	1	101.1780	1.115	8	101.5943	0.785	23	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:4:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CH3)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]N)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CH3){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]N)(H){2|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	101.5200	0.000	1	101.5200	0.000	1	101.1780	1.115	8	101.5943	0.785	23	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:4:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C[5]-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(C[5]S[5]2H)	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(N[5]C[5]S)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(C[5]S[5]2H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(N[5]C[5]S)(H){2|C<3>,2|S<2>,5|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,2|S<2>,6|H<1>}	101.1700	0.000	1	101.1700	0.000	1	101.1700	0.000	1	101.5943	0.785	23	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:4:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[5,5]-4:C-4:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(CH3)	C[5,5](C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]C)(C[5]C[5]O)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(CH3){1|O<1>,3|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]C)(C[5]C[5]O)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	102.2600	0.000	1	102.2600	0.000	1	102.2600	0.000	1	101.5943	0.785	23	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:4:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[5,5]-4:C-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(C[5,5]N[5]2H)(CH3)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]S)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(C[5,5]N[5]2H)(CH3){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]S)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	101.6165	0.100	2	101.6165	0.010	2	101.7148	0.608	10	101.5943	0.785	23	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:4:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[5,5]-4:C-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(C[5,5]N[5]2H)(CH3)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]C)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(C[5,5]N[5]2H)(CH3){2|C<4>,3|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]C)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	102.5250	0.000	1	102.5250	0.000	1	101.7148	0.608	10	101.5943	0.785	23	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:4:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[5,5]-4:C-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]N[5]2H)(CCHH)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(N[5]C[5]C)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]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[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(N[5]C[5]C)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,5|H<1>}	100.3250	0.000	1	100.3250	0.000	1	101.7148	0.608	10	101.5943	0.785	23	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:4:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[5,5]-4:C-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]N[5]2H)(CH3)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]S)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]N[5]2H)(CH3){1|Br<1>,1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]S)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	101.4080	0.000	1	101.4080	0.000	1	101.7148	0.608	10	101.5943	0.785	23	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:4:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[5,5]-4:C-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]N[5]2H)(CH3)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]S)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]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[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]S)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	102.4940	0.000	1	102.2768	0.048	4	101.7148	0.608	10	101.5943	0.785	23	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:4:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[5,5]-4:C-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]N[5]2H)(CH3)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]S)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]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[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]S)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	102.1855	0.282	2	102.2768	0.048	4	101.7148	0.608	10	101.5943	0.785	23	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:4:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[5,5]-4:C-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]N[5]2H)(CH3)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]S)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]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[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]S)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	102.2420	0.000	1	102.2768	0.048	4	101.7148	0.608	10	101.5943	0.785	23	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:4:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[5,5]-4:C-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]N[5]2H)(CH3)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(N[5]C[5]S)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]N[5]2H)(CH3){1|S<4>,4|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(N[5]C[5]S)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	100.5500	0.000	1	100.5500	0.000	1	101.7148	0.608	10	101.5943	0.785	23	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:4:	4:3:4:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]HO)(CH3)	C[5,5](C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O)(C[5]C[5]HH)(H)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,5]C[5,5]C[5]C)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]HO)(CH3){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O)(C[5]C[5]HH)(H){2|C<3>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,5]C[5,5]C[5]C)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	103.5260	0.000	1	103.5260	0.000	1	103.5260	0.000	1	103.5260	0.000	1	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:4:	4:3:4:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:N[5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(CH3)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(C[5]C[5]CC)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(CH3){1|C<4>,3|H<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(C[5]C[5]CC)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,2|C<3>,3|C<4>,3|H<1>}	101.9305	0.302	2	101.9305	0.091	2	102.0095	0.039	4	101.7850	0.170	6	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:4:	4:3:4:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:N[5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[6a]N[5]H)(CH3)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(C[5]N[5]CC)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]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[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(C[5]N[5]CC)(H){1|H<1>,1|S<4>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	102.0590	0.000	1	102.0590	0.000	1	102.0095	0.039	4	101.7850	0.170	6	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:4:	4:3:4:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:N[5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[6a]O[5]H)(CH3)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(C[5]O[5]CC)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[6a]O[5]H)(CH3){1|C<4>,1|H<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(C[5]O[5]CC)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	102.1180	0.000	1	102.1180	0.000	1	102.0095	0.039	4	101.7850	0.170	6	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:4:	4:3:4:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:N[5]-3:N[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CH3)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]CO)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]CO)(H){2|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<4>,1|O<2>,2|C<4>,4|H<1>}	101.3360	0.356	2	101.3360	0.127	2	101.3360	0.127	2	101.7850	0.170	6	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:4:	4:3:4:4:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:N[5]-3:C[5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(C[5]C[6a]N[5]H)(CH3)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(C[5]N[5]CC)(CH3)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(C[5]C[6a]N[5]H)(CH3){1|S<4>,2|H<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(C[5]N[5]CC)(CH3){1|H<1>,1|S<4>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	101.8950	0.000	1	101.8950	0.000	1	101.8950	0.000	1	101.8950	0.000	1	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:4:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]CC)(CH3)	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[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]CC)(CH3){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[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[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|H<1>,4|C<4>}	101.4250	0.000	1	101.4250	0.000	1	101.4250	0.000	1	101.4250	0.000	1	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	3:4:4:4:	4:4:3:2:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C[5,6]-4:N[5]-3:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5]O)(C[5]C[5,6]C[5a]H)(CH3)	C[5,5](C[5,5]C[5,6a]C[5]C)(C[5,6]C[5,6]C[6]H)(N[5]C[5,6a]S)(OH)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5]O)(C[5]C[5,6]C[5a]H)(CH3){1|C<4>,1|N<3>,1|S<4>,3|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]C)(C[5,6]C[5,6]C[6]H)(N[5]C[5,6a]S)(OH){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,1|S<4>,2|C<3>,2|C<4>,3|H<1>}	103.7310	0.000	1	103.7310	0.000	1	103.7310	0.000	1	103.7310	0.000	1	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:3:2:2:	3:4:3:3:	4:3:3:	C[5,5]-4:C[5,6a]-3:O[5]-2:O-2:	C[5,6a]-3:C[5,5]-4:C[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]O)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,5]C[5,5]O[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]O)(C[5]C[5,6a]O)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,5]O[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	104.6450	0.000	1	104.6450	0.000	1	104.6450	0.000	1	104.6450	0.000	1	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:3:3:1:	4:3:3:2:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-3:H-1:	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[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[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[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|O<2>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6a]){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){1|O<1>,2|H<1>,4|C<3>}	101.0020	0.000	1	101.0020	0.000	1	101.0020	0.000	1	101.0020	0.000	1	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:3:3:1:	4:4:3:2:	4:3:3:	C[5,5]-4:C[5,6a]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:N[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-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)	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[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[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[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,4|C<3>,4|H<1>}	105.2320	0.000	1	105.2320	0.000	1	105.2320	0.000	1	105.2320	0.000	1	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:3:3:2:	4:3:3:2:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-3:O-2:	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[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(OH)	C[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[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(OH){2|O<2>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6a]){1|O<1>,1|O<2>,2|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){1|O<1>,2|H<1>,4|C<3>}	99.5957	0.000	2	99.5957	0.000	2	99.5957	0.000	2	99.5957	0.000	2	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	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[5,6a]-3:C[6a]-3:	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[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[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	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[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	101.1220	0.027	2	101.1220	0.001	2	101.1220	0.001	2	101.1220	0.001	2	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	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[5,6a]-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[5,6a](C[5,5]C[5,5]C[6a]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]O)	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[5,6a](C[5,5]C[5,5]C[6a]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]O){4|H<1>,6|C<3>}	99.9421	0.004	2	99.9421	0.000	2	99.9421	0.000	2	99.9421	0.000	2	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:3:3:3:	4:4:3:2:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5,6a]-3:C-3:	C[5,5]-4:C[5]-4:C[6a]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])2(COO)	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[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[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[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,1|O<2>,3|H<1>,4|C<3>}	103.5480	0.000	1	103.5480	0.000	1	101.0554	12.427	2	101.0554	12.427	2	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:3:3:3:	4:4:3:2:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5,6a]-3:C-3:	C[5,5]-4:C[5]-4:C[6a]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])2(COO)	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[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,5](C[5,5]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[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[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	98.5627	0.000	1	98.5627	0.000	1	101.0554	12.427	2	101.0554	12.427	2	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:3:3:4:	4:3:3:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5a]-3:C[5]-4:	C[5,5]-4:N[5,6,6]-3:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5]N[5,6,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5,3x6]HO)	C[5,5](C[5,5]C[5,6a]C[5a]C[5])(N[5,6,6]C[5,3x6]C[6,6])(N[5]C[5,6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,5]N[5,6,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5,3x6]HO){1|N<3>,1|S<2>,3|H<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]C[5a]C[5])(N[5,6,6]C[5,3x6]C[6,6])(N[5]C[5,6a]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,1|S<2>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,5|H<1>}	100.8280	0.038	2	100.8280	0.001	2	100.8280	0.001	2	100.8280	0.001	2	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:3:4:1:	4:3:3:2:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:C[6a]-3:N[5]-3:S[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-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)	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[5,6a](C[5,6a]C[6a]S[5])(C[5,5]C[5,5]2H)(C[6a]C[6a]H)	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[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[5,6a](C[5,6a]C[6a]S[5])(C[5,5]C[5,5]2H)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	108.8460	0.000	1	108.8460	0.000	1	108.8460	0.000	1	108.8460	0.000	1	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:3:4:1:	4:3:3:3:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-3:C[6a]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(C[6a]C[6a]2)(N[5]C[5]H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]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){2|H<1>,2|O<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(C[6a]C[6a]2)(N[5]C[5]H){1|O<1>,4|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	104.6990	0.000	1	104.6990	0.000	1	104.6990	0.000	1	104.6990	0.000	1	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:3:4:1:	4:3:4:4:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-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)	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[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]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){1|O<1>,2|C<4>,2|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[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	105.2635	0.139	2	105.2635	0.019	2	105.2635	0.019	2	105.2635	0.019	2	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:3:4:1:	4:4:3:1:	4:3:3:	C[5,6]-4:C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5,6]-4:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6]C[5a,6]O[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5]H)(H)	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5,6]O[5,6]C[6]C)(N[5]C[5,6a]C)(H)	C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6]C[5a,6]O[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5]H)(H){1|H<1>,2|C<4>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5,6]O[5,6]C[6]C)(N[5]C[5,6a]C)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	102.7730	0.031	2	102.7730	0.001	2	102.7640	0.001	3	102.7640	0.001	3	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:3:4:1:	4:4:3:1:	4:3:3:	C[5,6]-4:C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5,6]-4:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5,6]O[5,6]C[6]H)(N[5]C[5,6a]C)(H)	C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	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[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5,6]O[5,6]C[6]H)(N[5]C[5,6a]C)(H){1|O<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	102.7460	0.000	1	102.7460	0.000	1	102.7640	0.001	3	102.7640	0.001	3	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:3:4:1:	4:4:4:1:	4:3:3:	C[5,6]-4:C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5]C[5,6a]HO)(C[5]C[5]HH)(H)	C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5]C[5,6a]HO)(C[5]C[5]HH)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	104.8740	0.147	2	104.8740	0.022	2	104.8740	0.022	2	104.8740	0.022	2	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:3:4:2:	4:3:4:2:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-4:O-2:	C[5,5]-4:C[5a]-3:C[5]-4:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(OH)	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[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	C[5,5](C[5,5]C[5a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(OH){2|H<1>,2|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[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	99.3202	0.000	1	99.3202	0.000	1	100.2407	0.879	3	100.2407	0.879	3	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:3:4:2:	4:3:4:2:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-4:O-2:	C[5,5]-4:C[5a]-3:C[5]-4:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(OH)	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[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	C[5,5](C[5,5]C[5a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(OH){1|O<2>,1|S<2>,2|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[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	100.7010	0.697	2	100.7010	0.486	2	100.2407	0.879	3	100.2407	0.879	3	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:3:4:2:	4:4:3:2:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-4:O-2:	C[5,5]-4:C[5]-4:C[6a]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(OH)	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[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(OH){1|O<2>,3|H<1>,5|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[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	100.4330	0.000	1	100.4330	0.000	1	100.8665	0.376	2	100.8665	0.376	2	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:3:4:2:	4:4:3:2:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-4:O-2:	C[5,5]-4:C[5]-4:C[6a]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(OH)	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[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(OH){1|O<2>,2|H<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6a]){1|O<2>,4|H<1>,7|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	101.3000	0.000	1	101.3000	0.000	1	100.8665	0.376	2	100.8665	0.376	2	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:3:4:3:	4:3:3:1:	4:3:3:	C[5,6]-4:C[5,6a]-3:C[5,5]-4:N-3:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	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[5,5](C[5,5]C[5,6a]C[5,6]N)(N[5]C[5,6a]C)(N[5]N[5,6]S)(H)	C[5,6a](C[5,5]C[5,5]C[5,6]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]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){1|C<4>,1|H<1>,1|S<4>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,6]N)(N[5]C[5,6a]C)(N[5]N[5,6]S)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5,6]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|N<3>,3|C<3>,4|H<1>}	104.7270	0.000	1	104.7270	0.000	1	104.7270	0.000	1	104.7270	0.000	1	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:3:4:3:	4:3:3:2:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-4:N-3:	C[5,5]-4:N[5]-3:C[6a]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5]C[6a]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(NHH)	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[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,5]C[6a]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(NHH){1|S<4>,3|H<1>,4|C<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]){2|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<2>,1|S<4>,2|C<3>,3|C<4>}	102.7630	0.000	1	102.7630	0.000	1	102.7630	0.000	1	102.7630	0.000	1	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:3:4:4:	4:3:3:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(N[5]C[5]C)(H)	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH){1|C<4>,2|N<3>,6|C<3>,6|H<1>}	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(N[5]C[5]C)(H){2|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|C<4>,5|H<1>}	99.8952	0.000	1	102.0940	1.195	6	101.0499	1.350	14	101.0499	1.350	14	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:3:4:4:	4:3:3:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(N[5]C[5]C)(H)	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH){2|N<3>,3|C<4>,4|C<3>,6|H<1>}	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(N[5]C[5]C)(H){2|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,4|C<4>,5|H<1>}	102.5338	0.209	5	102.0940	1.195	6	101.0499	1.350	14	101.0499	1.350	14	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:3:4:4:	4:3:3:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(N[5]C[5]S)(H)	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH){1|S<4>,2|C<4>,2|N<3>,4|C<3>,6|H<1>}	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(N[5]C[5]S)(H){2|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,4|C<4>,5|H<1>}	100.2990	0.107	4	100.2990	0.011	4	101.0499	1.350	14	101.0499	1.350	14	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:3:4:4:	4:3:3:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(N[5]C[5]C)(H)	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH){1|C<4>,2|N<3>,5|C<3>,7|H<1>}	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(N[5]C[5]C)(H){2|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,6|H<1>}	100.2165	0.279	2	100.2165	0.078	2	101.0499	1.350	14	101.0499	1.350	14	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:3:4:4:	4:3:3:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(N[5]C[5]S)(H)	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH){1|C<4>,1|S<4>,2|N<3>,5|C<3>,6|H<1>}	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(N[5]C[5]S)(H){2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,6|H<1>}	100.2525	0.021	2	100.2525	0.000	2	101.0499	1.350	14	101.0499	1.350	14	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:3:4:4:	4:3:3:2:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-4:C-4:	C[5,5]-4:N[5]-3:C[6a]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5]C[6a]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)	C[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[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,5]C[6a]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[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[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	102.0780	0.000	1	102.0780	0.000	1	102.0780	0.000	1	102.0780	0.000	1	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:3:4:4:	4:3:4:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[5]-4:H-1:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-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)	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[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]2C[5])(C[6a]C[6a]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){11|C<3>,1|C<4>,1|O<1>,4|H<1>}	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[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]2C[5])(C[6a]C[6a]H){3|C<4>,3|H<1>,6|C<3>}	103.1635	0.218	2	103.1635	0.048	2	103.1635	0.048	2	103.1635	0.048	2	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:3:4:4:	4:3:4:4:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH){1|C<4>,2|N<3>,6|C<3>,6|H<1>}	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH){1|C<4>,2|N<3>,6|C<3>,6|H<1>}	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|C<4>,5|H<1>}	112.0490	0.000	1	112.7970	1.119	2	112.7970	1.119	2	112.7970	1.119	2	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:3:4:4:	4:3:4:4:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH){2|N<3>,3|C<4>,4|C<3>,6|H<1>}	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH){2|N<3>,3|C<4>,4|C<3>,6|H<1>}	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,4|C<4>,5|H<1>}	113.5450	0.000	1	112.7970	1.119	2	112.7970	1.119	2	112.7970	1.119	2	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5,5]	C[5,6a]	4:4:3:4:	4:3:3:1:	4:3:3:	C[5,5]-4:C[5,5]-4:C[5,6a]-3:C[5]-4:	C[5,5]-4:N[5,6,6]-3:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]N[5,6,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,3x6]HO)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5,6,6]C[5,3x6]C[6,6])(N[5]C[5,6a]H)(H)	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]N[5,6,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,3x6]HO){1|C<4>,1|O<2>,1|S<2>,2|N<3>,4|H<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5,6,6]C[5,3x6]C[6,6])(N[5]C[5,6a]H)(H){1|H<1>,1|O<1>,1|O<2>,1|S<2>,3|C<4>,4|C<3>}	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	99.7172	0.585	2	99.7172	0.342	2	99.7172	0.342	2	99.7172	0.342	2	103.0238	3.736	448	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5]	C[5,5a]	3:3:4:3:	4:4:3:1:	3:4:3:	C[5,5a]-3:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5]-4:C[5,5a]-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)	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[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5,5a]N[5a]C[5])	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[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[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5,5a]N[5a]C[5]){1|N<3>,1|O<1>,4|H<1>,6|C<3>}	99.9638	0.000	1	99.9638	0.000	1	99.9638	0.000	1	99.9638	0.000	1	100.2542	0.241	4	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5]	C[5,5a]	3:4:2:2:	4:4:3:1:	3:4:3:	C[5,5a]-3:C[5]-4:S[5]-2:S[5]-2:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5a]-3:C[5,5]-4:N[5a]-3:	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]CH)(S[5]C[5])2	C[5](C[5,5]C[5,5a]S[5]2)(C[5]C[5,5a]CH)(CC[6a]O)(H)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,5]C[5]S[5]2)(N[5a]C[5a,6a]C)	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]CH)(S[5]C[5])2{2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,5]C[5,5a]S[5]2)(C[5]C[5,5a]CH)(CC[6a]O)(H){1|C<3>,1|N<3>,2|C<4>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,5]C[5]S[5]2)(N[5a]C[5a,6a]C){2|H<1>,3|C<3>,3|C<4>}	100.0320	0.000	2	100.0320	0.000	2	100.0320	0.000	2	100.0320	0.000	2	100.2542	0.241	4	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5]	C[5,5a]	3:4:4:3:	4:4:1:1:	3:4:3:	C[5,5a]-3:C[5]-4:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5,5]-4:N[5a]-3:	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(C[5]C[5]HO)(N[5]C[5]C)	C[5](C[5,5]C[5,5a]C[5]N[5])(C[5]C[5,5a]HH)(H)2	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,5]C[5]2N[5])(N[5a]C[5a,6a]H)	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(C[5]C[5]HO)(N[5]C[5]C){1|O<1>,2|C<3>,5|H<1>}	C[5](C[5,5]C[5,5a]C[5]N[5])(C[5]C[5,5a]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,5]C[5]2N[5])(N[5a]C[5a,6a]H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	100.9890	0.000	1	100.9890	0.000	1	100.9890	0.000	1	100.9890	0.000	1	100.2542	0.241	4	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:3:4:	4:3:1:1:	4:3:3:	C[5,5a]-3:C[5,5a]-3:C[5,6a]-3:C[5]-4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)	C[5](C[5,5]C[5,5a]2C[5,6a])(N[5]C[5,6a]S)(H)2	C[5,6a](C[5,5]C[5,5a]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH){1|H<1>,1|N<3>,1|S<4>,7|C<3>}	C[5](C[5,5]C[5,5a]2C[5,6a])(N[5]C[5,6a]S)(H)2{1|N<3>,5|C<3>}	C[5,6a](C[5,5]C[5,5a]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|S<4>,3|H<1>,4|C<3>}	102.1610	0.000	2	102.1610	0.000	2	102.1610	0.000	2	102.1610	0.000	2	102.4906	8.560	122	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:3:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])3(C[5]C[5]HH)	C[5](C[5,5]C[5,6a]3)(C[5]C[5,6a]CC)(H)2	C[5,6a](C[5,5]C[5,6a]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Br)	C[5,5](C[5,6a]C[5,6a]C[6a])3(C[5]C[5]HH){1|Br<1>,2|C<4>,2|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]3)(C[5]C[5,6a]CC)(H)2{6|C<3>}	C[5,6a](C[5,5]C[5,6a]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Br){3|C<4>,3|H<1>,5|C<3>}	102.5965	0.728	2	102.5965	0.529	2	102.5965	0.529	2	102.5965	0.529	2	102.4906	8.560	122	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:2:	4:2:1:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N[5]-2:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]O[5]HH)(N[5]C[5])	C[5](C[5,5]C[5,6a]2N[5])(O[5]C[5,6a])(H)2	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]O[5]HH)(N[5]C[5]){3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]2N[5])(O[5]C[5,6a])(H)2{5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	100.0190	0.000	1	100.0190	0.000	1	100.0190	0.000	1	100.0190	0.000	1	102.4906	8.560	122	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:3:	4:3:1:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]O)(H)2	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]O)(H)2{1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|O<1>,3|C<3>,4|H<1>}	103.4680	0.000	1	103.4680	0.000	1	103.4680	0.000	1	103.4680	0.000	1	102.4906	8.560	122	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:3:	4:3:2:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:N[5]-3:O-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]HO)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]C)(OC)(H)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]HO)(C[5]N[5]O){2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]C)(OC)(H){1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	102.7770	0.000	1	102.7770	0.000	1	102.7770	0.000	1	102.7770	0.000	1	102.4906	8.560	122	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:3:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5]H)(N[5]S[5]H)	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C)(C[6a]C[6a]2)(H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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){2|H<1>,2|O<1>,7|C<3>}	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C)(C[6a]C[6a]2)(H){1|S<4>,3|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|S<4>,4|H<1>,5|C<3>}	103.1725	0.910	2	103.1725	0.828	2	103.1725	0.828	2	103.1725	0.828	2	102.4906	8.560	122	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:3:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]C[6a]C)(H)2	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,2|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[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,4|H<1>,5|C<3>}	102.8720	0.000	1	102.8720	0.000	1	102.8720	0.000	1	102.6590	0.590	3	102.4906	8.560	122	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:3:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)(N[5]C[5]S)	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]CC)(H)2	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)(N[5]C[5]S){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]CC)(H)2{1|S<4>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,4|H<1>,5|C<3>}	103.2980	0.000	1	103.2980	0.000	1	102.5525	1.112	2	102.6590	0.590	3	102.4906	8.560	122	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:3:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)(N[5]S[5]H)	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]CC)(H)2	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)(N[5]S[5]H){1|C<4>,2|H<1>,2|O<1>,5|C<3>}	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]CC)(H)2{1|H<1>,1|S<4>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,4|C<3>,5|H<1>}	101.8070	0.000	1	101.8070	0.000	1	102.5525	1.112	2	102.6590	0.590	3	102.4906	8.560	122	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:3:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]CH)(N[5]S[5]H)	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]CH)(CC[6a]O)(H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]CH)(N[5]S[5]H){1|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]CH)(CC[6a]O)(H){1|H<1>,1|S<4>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,4|C<3>,5|H<1>}	102.0040	0.215	2	102.0040	0.046	2	102.0040	0.046	2	101.6920	0.315	3	102.4906	8.560	122	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:3:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5]H)(N[5]S[5]H)	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]CH)(C[6a]C[6a]2)(H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]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){2|O<1>,3|H<1>,7|C<3>}	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[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|S<4>,5|C<3>,5|H<1>}	101.0680	0.000	1	101.0680	0.000	1	101.0680	0.000	1	101.6920	0.315	3	102.4906	8.560	122	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:4:	4:2:1:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C[5]-4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]O[5]HH)2	C[5](C[5,5]C[5,6a]2C[5])(O[5]C[5,6a])(H)2	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]O[5]HH)2{2|O<2>,4|C<3>}	C[5](C[5,5]C[5,6a]2C[5])(O[5]C[5,6a])(H)2{1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){1|O<2>,3|C<3>,6|H<1>}	100.2159	0.758	2	100.2159	0.575	2	100.2159	0.575	2	100.2159	0.575	2	102.4906	8.560	122	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:4:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[5]-4:C[5]-4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]HH)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]HH){1|O<1>,1|S<2>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(H)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){4|C<3>,7|H<1>}	100.9800	0.000	1	100.9800	0.000	1	100.9800	0.000	1	100.9800	0.000	1	102.4906	8.560	122	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:4:	4:3:2:1:	3:4:3:	C[5,6a]-3:N[5]-3:C[5]-4:C[5]-4:	C[5,5]-4:N[5]-3:O-2:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]HO)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(OC)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]HO){1|O<1>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(OC)(H){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	100.9650	0.000	1	100.9650	0.000	1	100.9650	0.000	1	100.9650	0.000	1	102.4906	8.560	122	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:4:	4:3:4:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[5]-4:C[5]-4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]CH)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(CH3)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]CH){1|O<1>,1|S<2>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(CH3)(H){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,4|C<3>,6|H<1>}	99.9341	0.000	1	99.9341	0.000	1	99.9341	0.000	1	99.9341	0.000	1	102.4906	8.560	122	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C[5]-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]CC)(H)2	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2{2|H<1>,4|C<3>,4|C<4>}	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]CC)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){1|N<2>,3|C<3>,3|C<4>,5|H<1>}	107.4375	8.398	2	107.4375	70.532	2	102.2903	10.891	50	102.2903	10.891	50	102.4906	8.560	122	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C[5]-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]CC)(H)2	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2{2|Br<1>,4|C<3>,4|C<4>}	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]CC)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]Br){1|Br<1>,1|O<2>,3|C<3>,3|C<4>,4|H<1>}	106.4762	6.032	4	104.8850	27.913	6	102.2903	10.891	50	102.2903	10.891	50	102.4906	8.560	122	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C[5]-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]CC)(H)2	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2{2|Br<1>,4|C<3>,4|C<4>}	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]CC)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]Br){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	101.7025	0.159	2	104.8850	27.913	6	102.2903	10.891	50	102.2903	10.891	50	102.4906	8.560	122	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C[5]-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]CC)(H)2	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2{4|C<4>,6|C<3>}	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]CC)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C[5]){1|N<2>,1|O<2>,3|C<3>,3|C<4>,6|H<1>}	101.4730	0.617	6	101.4730	0.380	6	102.2903	10.891	50	102.2903	10.891	50	102.4906	8.560	122	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C[5]-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]CC)(H)2	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2{2|H<1>,4|C<3>,4|C<4>}	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]CC)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	101.9663	2.569	18	101.9663	6.602	18	102.2903	10.891	50	102.2903	10.891	50	102.4906	8.560	122	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C[5]-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2{2|C<4>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|C<4>,1|O<2>,3|C<3>,7|H<1>}	101.4500	0.679	2	101.2673	0.261	4	102.2903	10.891	50	102.2903	10.891	50	102.4906	8.560	122	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C[5]-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2{2|C<4>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|C<4>,3|C<3>,8|H<1>}	101.0845	0.435	2	101.2673	0.261	4	102.2903	10.891	50	102.2903	10.891	50	102.4906	8.560	122	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C[5]-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2{4|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C[5]){1|C<4>,1|N<2>,1|O<2>,3|C<3>,8|H<1>}	106.3430	5.964	2	106.3430	35.566	2	102.2903	10.891	50	102.2903	10.891	50	102.4906	8.560	122	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C[5]-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2{2|O<2>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|Br<1>,1|C<4>,3|C<3>,7|H<1>}	101.4820	0.139	2	100.6954	0.566	12	102.2903	10.891	50	102.2903	10.891	50	102.4906	8.560	122	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C[5]-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2{2|O<2>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|C<4>,3|C<3>,8|H<1>}	100.3375	0.313	7	100.6954	0.566	12	102.2903	10.891	50	102.2903	10.891	50	102.4906	8.560	122	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C[5]-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2{2|O<2>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|C<4>,4|C<3>,7|H<1>}	100.3444	0.756	2	100.6954	0.566	12	102.2903	10.891	50	102.2903	10.891	50	102.4906	8.560	122	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:3:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C[5]-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2{2|O<2>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|Cl<1>,1|C<4>,3|C<3>,7|H<1>}	102.3290	0.000	1	100.6954	0.566	12	102.2903	10.891	50	102.2903	10.891	50	102.4906	8.560	122	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:2:2:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:O[5]-2:O[5]-2:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(O[5]C[5])2	C[5](C[5,5]C[5,6a]O[5]2)(C[5]N[5,6a]HH)(H)2	C[5,6a](N[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6,6a]H)	C[5,5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(O[5]C[5])2{2|C<3>,7|H<1>}	C[5](C[5,5]C[5,6a]O[5]2)(C[5]N[5,6a]HH)(H)2{2|C<3>,2|C<4>}	C[5,6a](N[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6,6a]H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	102.8330	0.000	1	102.8330	0.000	1	103.0405	0.086	2	103.0405	0.086	2	102.4906	8.560	122	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:2:2:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:O[5]-2:O[5]-2:	C[5,5]-4:C[5]-4:H-1:H-1:	N[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(O[5]C[5])2	C[5](C[5,5]C[5,6a]O[5]2)(C[5]N[5,6a]HH)(H)2	C[5,6a](N[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H)	C[5,5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(O[5]C[5])2{2|C<3>,7|H<1>}	C[5](C[5,5]C[5,6a]O[5]2)(C[5]N[5,6a]HH)(H)2{2|C<3>,2|C<4>}	C[5,6a](N[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	103.2480	0.000	1	103.2480	0.000	1	103.0405	0.086	2	103.0405	0.086	2	102.4906	8.560	122	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:2:	4:2:4:1:	4:3:3:	C[5,6a]-3:C[5]-4:N[5]-3:O[5]-2:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(N[5]C[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]N[5]O[5])(O[5]C[5,6a])(CC[6a]HH)(H)	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(N[5]C[5]O)(O[5]C[5]){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,5]C[5,6a]N[5]O[5])(O[5]C[5,6a])(CC[6a]HH)(H){1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	102.1570	0.000	1	102.1570	0.000	1	102.1570	0.000	1	102.1570	0.000	1	102.4906	8.560	122	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:2:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]HH)(H)2{1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,6|H<1>}	105.0070	0.000	1	104.7240	0.160	2	104.7240	0.160	2	104.7240	0.160	2	102.4906	8.560	122	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:2:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(O[5]C[5]){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]HH)(H)2{1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,6|H<1>}	104.4410	0.000	1	104.7240	0.160	2	104.7240	0.160	2	104.7240	0.160	2	102.4906	8.560	122	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,7|H<1>}	102.2715	0.409	4	102.3807	0.223	6	102.3807	0.223	6	102.3807	0.223	6	102.4906	8.560	122	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:3:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]H){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,7|H<1>}	102.5990	0.686	2	102.3807	0.223	6	102.3807	0.223	6	102.3807	0.223	6	102.4906	8.560	122	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:3:4:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-4:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[5]C[5]CH)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]HO)(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[5]C[5]CH){1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]HO)(CC[6a]O)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,4|C<3>,5|H<1>}	102.6180	0.000	1	102.6180	0.000	1	102.6180	0.000	1	102.6180	0.000	1	102.4906	8.560	122	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:1:	4:3:1:1:	4:3:2:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:H-1:H-1:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[5,5](C[5,6a]C[5,6a]N[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])	C[5,5](C[5,6a]C[5,6a]N[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H){1|N<2>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(H)2{1|C<4>,2|C<3>,2|H<1>,2|N<2>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a]){4|C<3>,6|H<1>}	111.3940	0.000	1	111.3940	0.000	1	111.3940	0.000	1	111.3940	0.000	1	102.4906	8.560	122	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:1:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a]H)(H)	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[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a]H)(H){2|H<1>,7|C<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){1|C<4>,1|O<2>,3|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|O<2>,3|H<1>,5|C<3>}	114.7780	0.000	1	115.3450	0.643	2	115.3450	0.643	2	115.3450	0.643	2	102.4906	8.560	122	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:1:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a]H)(H)	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[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a]H)(H){2|H<1>,7|C<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){1|C<4>,4|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,4|H<1>,5|C<3>}	115.9120	0.000	1	115.3450	0.643	2	115.3450	0.643	2	115.3450	0.643	2	102.4906	8.560	122	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:2:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:O[5]-2:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]HH)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]S)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]HH)(O[5]C[5]){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]S)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,6|H<1>}	102.2150	0.000	1	102.2150	0.000	1	102.2150	0.000	1	102.2150	0.000	1	102.4906	8.560	122	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:2:	4:3:2:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:O[5]-2:	C[5,5]-4:N[5]-3:N-2:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]HN)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(NN)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]HN)(O[5]C[5]){1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(NN)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>,5|H<1>}	104.0935	0.571	2	104.0935	0.326	2	104.0935	0.326	2	104.0935	0.326	2	102.4906	8.560	122	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:2:	4:3:4:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:O[5]-2:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(C[5]N[5]HH)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C[6a])(CF3)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(C[5]N[5]HH)(O[5]C[5]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C[6a])(CF3)(H){1|N<3>,2|H<1>,2|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	102.3010	0.000	1	102.3010	0.000	1	102.3010	0.000	1	102.3010	0.000	1	102.4906	8.560	122	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:2:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:O[5]-2:	C[5,5]-4:C[5]-4:Br-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(C[5]C[5]HH)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]HH)(Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(C[5]C[5]HH)(O[5]C[5]){1|O<1>,2|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]HH)(Br)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|C<3>,7|H<1>}	100.3038	0.942	2	100.3038	0.888	2	100.3038	0.888	2	100.5499	0.691	4	102.4906	8.560	122	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:2:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:O[5]-2:	C[5,5]-4:C[5]-4:Cl-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]ClH)(C[5]C[5]HH)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]HH)(Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]ClH)(C[5]C[5]HH)(O[5]C[5]){1|O<1>,2|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]HH)(Cl)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|C<3>,7|H<1>}	100.7960	0.972	2	100.7960	0.944	2	100.7960	0.944	2	100.5499	0.691	4	102.4906	8.560	122	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:2:	4:4:4:4:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:O[5]-2:	C[5,5]-4:C[5]-4:C-4:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]HH)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]HH)(CCHO)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]HH)(O[5]C[5]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]HH)(CCHO)(CH3){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]O){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	102.9200	0.000	1	102.9200	0.000	1	102.9200	0.000	1	102.9200	0.000	1	102.4906	8.560	122	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:N[5]-3:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)2(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a,6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)2(N[5]C[5]C){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a,6a]H){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	102.1010	0.000	1	102.1010	0.000	1	102.1420	0.084	3	102.1420	0.084	3	102.4906	8.560	122	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:N[5]-3:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)2(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)2(N[5]C[5]C){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	101.8740	0.000	1	102.1625	0.166	2	102.1420	0.084	3	102.1420	0.084	3	102.4906	8.560	122	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:N[5]-3:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)2(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)2(N[5]C[5]C){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	102.4510	0.000	1	102.1625	0.166	2	102.1420	0.084	3	102.1420	0.084	3	102.4906	8.560	122	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:2:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:N[5]-3:	C[5,5]-4:N[5]-3:N-2:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]HN)(N[5]C[5]S)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(NN)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]HN)(N[5]C[5]S){3|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(NN)(H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<2>,1|S<4>,2|C<3>,2|C<4>,5|H<1>}	102.4780	0.284	4	102.4780	0.081	4	102.4780	0.081	4	102.5136	0.058	7	102.4906	8.560	122	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:2:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:N[5]-3:	C[5,5]-4:N[5]-3:O-2:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]HO)(N[5]C[5]S)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(OC)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]HO)(N[5]C[5]S){3|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(OC)(H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<2>,1|S<4>,2|C<3>,3|C<4>,4|H<1>}	102.4770	0.231	2	102.4770	0.053	2	102.5610	0.048	3	102.5136	0.058	7	102.4906	8.560	122	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:2:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:N[5]-3:	C[5,5]-4:N[5]-3:O-2:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(C[5]O[5]HH)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]S)(OC)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(C[5]O[5]HH)(N[5]C[5]H){1|H<1>,1|O<1>,1|S<4>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]S)(OC)(H){1|O<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|O<2>,6|H<1>}	102.7290	0.000	1	102.7290	0.000	1	102.5610	0.048	3	102.5136	0.058	7	102.4906	8.560	122	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:3:4:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]CH)(C[5]O[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]S)(CH3)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]CH)(C[5]O[5]O){1|S<4>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]S)(CH3)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,1|S<4>,2|C<4>,5|H<1>}	102.7800	0.000	1	102.7800	0.000	1	102.7800	0.000	1	102.7800	0.000	1	102.4906	8.560	122	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:H-1:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5,5]-4:	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)2(C[5]C[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]HH)(H)2	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,5]C[5]3)	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)2(C[5]C[5]O){3|C<3>,6|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,5]C[5]3){1|O<1>,2|C<4>,3|C<3>,8|H<1>}	102.1040	0.000	1	102.1040	0.000	1	102.1040	0.000	1	102.1040	0.000	1	102.4906	8.560	122	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)2(C[5]C[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)2(C[5]C[5]O){1|O<2>,2|C<3>,6|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]O){1|C<3>,1|O<1>,2|C<4>,8|H<1>}	100.9120	0.000	1	100.9120	0.000	1	100.9120	0.000	1	101.8944	0.374	11	102.4906	8.560	122	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)2(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)2(N[5]C[5]C){1|O<1>,2|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,8|H<1>}	102.7660	0.000	1	102.7660	0.000	1	101.9926	0.297	10	101.8944	0.374	11	102.4906	8.560	122	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)2(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)2(N[5]C[5]H){1|O<1>,2|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,9|H<1>}	102.3500	0.000	1	102.3500	0.000	1	101.9926	0.297	10	101.8944	0.374	11	102.4906	8.560	122	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)2(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)2(N[5]C[5]H){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]O){1|Br<1>,1|C<4>,2|C<3>,8|H<1>}	101.4950	0.000	1	101.4377	0.005	3	101.9926	0.297	10	101.8944	0.374	11	102.4906	8.560	122	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)2(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)2(N[5]C[5]H){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]O){1|C<4>,2|C<3>,9|H<1>}	101.4090	0.074	2	101.4377	0.005	3	101.9926	0.297	10	101.8944	0.374	11	102.4906	8.560	122	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)2(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]P)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)2(N[5]C[5]H){1|O<1>,1|P<4>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]P){1|C<4>,2|C<3>,9|H<1>}	102.1900	0.640	3	102.0994	0.240	5	101.9926	0.297	10	101.8944	0.374	11	102.4906	8.560	122	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:3:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)2(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]P)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)2(N[5]C[5]H){1|P<3>,2|C<3>,6|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]P){1|C<3>,2|C<4>,9|H<1>}	101.9635	0.276	2	102.0994	0.240	5	101.9926	0.297	10	101.8944	0.374	11	102.4906	8.560	122	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:4:	4:3:1:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5]-4:C[5]-4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(C[5]N[5]HH)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]S)(H)2	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(C[5]N[5]HH){1|S<4>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]S)(H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|S<4>,2|C<4>,7|H<1>}	103.4810	0.000	1	103.4810	0.000	1	103.4810	0.000	1	103.4810	0.000	1	102.4906	8.560	122	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:4:	4:3:4:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]CH)(C[5]N[5]HH)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(CH3)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]CH)(C[5]N[5]HH){3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(CH3)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,8|H<1>}	101.3485	0.511	2	101.3485	0.261	2	101.3485	0.261	2	101.3485	0.261	2	102.4906	8.560	122	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	3:4:4:4:	4:4:2:1:	4:3:3:	C[5,6a]-3:C[3,5]-4:C[5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(C[5]C[5]HO)	C[5](C[5,5]C[5,6a]C[3,5]C[5])(C[5]C[5,6a]HH)(OH)(H)	C[5,6a](C[5,5]C[3,5]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(C[5]C[5]HO){1|C<4>,2|C<3>,7|H<1>}	C[5](C[5,5]C[5,6a]C[3,5]C[5])(C[5]C[5,6a]HH)(OH)(H){2|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,5]C[3,5]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|O<2>,3|C<4>,7|H<1>}	101.0580	0.000	1	101.0580	0.000	1	101.0580	0.000	1	101.0580	0.000	1	102.4906	8.560	122	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,5]	C[5]	C[5,6a]	4:3:3:4:	4:3:2:1:	4:3:3:	C[3,5]-4:C[5,6a]-3:N[5,5]-3:C[5]-4:	C[5,5]-4:N[5]-3:O-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]N[5]HO)	C[5](C[5,5]C[5,6a]C[3,5]N[5,5])(N[5]C[5,6a]C)(OH)(H)	C[5,6a](C[5,5]C[3,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]N[5]HO){3|C<4>,5|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[3,5]N[5,5])(N[5]C[5,6a]C)(OH)(H){3|C<3>,4|C<4>}	C[5,6a](C[5,5]C[3,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|H<1>,5|C<4>}	100.3740	0.000	1	100.3740	0.000	1	100.3740	0.000	1	100.3740	0.000	1	102.4906	8.560	122	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6,6]	C[5,3x6]	C[5,6a]	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[5,6a]-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[5,6a](C[5,6,6]C[5,3x6]C[6,6a]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[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[5,6a](C[5,6,6]C[5,3x6]C[6,6a]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	98.7824	0.000	1	98.7824	0.000	1	98.7824	0.000	1	98.7824	0.000	1	98.7824	0.000	1	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6,6]	C[5,5,6,6]	C[5,6a]	4:4:3:1:	4:4:4:3:	4:3:3:	C[5,5,6,6]-4:C[5,3x6]-4:C[5,6a]-3:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[5,5]-4:C[5]-3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,5]C[5])(C[5,3x6]C[5,6,6]2C[5])(C[5,6a]C[5,6a]C[6a])(H)	C[5,5,6,6](C[5,3x6]C[5,6,6]2C[5,6a])(C[5,6,6]C[5,3x6]C[5,6a]H)(C[5,5]C[5,6a]2O)(C[5]C[5,6a]O)	C[5,6a](C[5,6,6]C[5,5,6,6]C[5,3x6]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,5]C[5])(C[5,3x6]C[5,6,6]2C[5])(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|H<1>,2|O<1>,2|O<2>,9|C<3>}	C[5,5,6,6](C[5,3x6]C[5,6,6]2C[5,6a])(C[5,6,6]C[5,3x6]C[5,6a]H)(C[5,5]C[5,6a]2O)(C[5]C[5,6a]O){10|C<3>,1|C<4>,1|H<1>}	C[5,6a](C[5,6,6]C[5,5,6,6]C[5,3x6]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|H<1>,2|C<4>,2|O<2>,5|C<3>}	104.0690	0.000	1	104.0690	0.000	1	104.0690	0.000	1	104.0690	0.000	1	104.0690	0.000	1	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6,6]	C[5,5,6]	C[5,6,6a]	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[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[6,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[6,6a,6a]C[5,5,6])	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[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[6,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[6,6a,6a]C[5,5,6]){2|Cl<1>,1|C<4>,7|C<3>}	103.3540	0.000	1	103.3540	0.000	1	103.3540	0.000	1	102.8140	0.583	2	101.7086	3.942	6	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6,6]	C[5,5,6]	C[5,6,6a]	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[5,6,6a]-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[5,6,6a]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[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[6,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[6,6a,6a]C[5,5,6])	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[5,6,6a]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[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[6,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[6,6a,6a]C[5,5,6]){2|Cl<1>,1|C<4>,7|C<3>}	102.2740	0.000	1	102.2740	0.000	1	102.2740	0.000	1	102.8140	0.583	2	101.7086	3.942	6	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6,6]	C[5,5,6]	C[5,6,6a]	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[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,5,6]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[5,6,6a](C[5,6,6]C[6,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,5,6])	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[5,6,6a](C[5,6,6]C[6,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,5,6]){3|Cl<1>,1|C<4>,7|C<3>}	102.6180	0.000	1	102.6180	0.000	1	102.6180	0.000	1	102.6180	0.000	1	101.7086	3.942	6	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6,6]	C[5,5,6]	C[5,6,6a]	3:4:4:1:	4:4:3:1:	3:4:3:	C[5,6,6a]-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]-3:Cl-1:	C[5,6,6a]-3:C[5,6,6]-4:C[6,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[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[5,6,6]C[3x6])(Cl)	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,5,6])(C[5,6,6]C[5,5,6]C[5,6,6]Cl)(C[6,6a,6a]C[6,6,6a]C[3x6a])	C[5,6,6](C[5,6,6a]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){2|Cl<1>,3|C<4>,5|C<3>}	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]C[3x6])(Cl){2|Cl<1>,3|C<4>,4|C<3>}	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,5,6])(C[5,6,6]C[5,5,6]C[5,6,6]Cl)(C[6,6a,6a]C[6,6,6a]C[3x6a]){3|Cl<1>,2|C<4>,6|C<3>}	98.7545	0.000	1	98.7545	0.000	1	98.7545	0.000	1	99.2468	0.485	2	101.7086	3.942	6	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6,6]	C[5,5,6]	C[5,6,6a]	3:4:4:1:	4:4:3:1:	3:4:3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,5,6]-4:Cl-1:	C[5,5,6]-4:C[5,6,6]-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[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,5,6]C[5,5,6]C[5,6,6]Cl)(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)	C[5,6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,5,6]C[5,6,6]Cl)(C[5,6,6a]C[6,6,6a]C[5,5,6])	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[5,5,6]C[5,5,6]C[5,6,6]Cl)(Cl){2|Cl<1>,1|C<4>,7|C<3>}	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[6,6,6a]C[5,6,6])(Cl){2|Cl<1>,3|C<4>,4|C<3>}	C[5,6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,5,6]C[5,6,6]Cl)(C[5,6,6a]C[6,6,6a]C[5,5,6]){3|Cl<1>,3|C<4>,5|C<3>}	99.7391	0.000	1	99.7391	0.000	1	99.7391	0.000	1	99.2468	0.485	2	101.7086	3.942	6	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6,6]	C[5,5,6]	C[5,6,6a]	3:4:4:1:	4:4:4:1:	3:4:3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,5,6]-4:Cl-1:	C[5,5,6]-4:C[5,6,6]-4:C[5,6,6]-4: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[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,5,6]C[5,5,6]C[5,6,6]Cl)(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[5,6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,5,6]C[5,6,6]Cl)(C[5,6,6a]C[6,6,6a]C[5,5,6])	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[5,5,6]C[5,5,6]C[5,6,6]Cl)(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[5,6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,5,6]C[5,6,6]Cl)(C[5,6,6a]C[6,6,6a]C[5,5,6]){3|Cl<1>,3|C<4>,5|C<3>}	103.5120	0.000	1	103.5120	0.000	1	103.5120	0.000	1	103.5120	0.000	1	101.7086	3.942	6	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6,6]	C[5,5]	C[5,6a]	4:3:4:4:	4:3:3:1:	4:3:3:	C[3x6]-4:C[5,6a]-3:C[5,5]-4:C[6,6]-4:	C[5,6,6]-4:N[5,5]-3:N[5,5]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6,6](C[3x6]C[6,6,6a]N[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]2H)(C[6,6]C[3x6]HH)	C[5,5](C[5,6,6]C[5,6a]C[3x6]C[6,6])(N[5,5]C[5,6a]C[5])(N[5,5]C[5,5]C[5])(H)	C[5,6a](C[5,6,6]C[3x6]C[5,5]C[6,6])(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)	C[5,6,6](C[3x6]C[6,6,6a]N[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]2H)(C[6,6]C[3x6]HH){1|N<2>,1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,6,6]C[5,6a]C[3x6]C[6,6])(N[5,5]C[5,6a]C[5])(N[5,5]C[5,5]C[5])(H){1|N<2>,1|O<1>,3|C<3>,3|C<4>,6|H<1>}	C[5,6a](C[5,6,6]C[3x6]C[5,5]C[6,6])(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,3|C<3>,6|H<1>}	102.1340	0.000	1	102.1340	0.000	1	102.1340	0.000	1	102.1340	0.000	1	102.1340	0.000	1	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	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[5,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[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[5,6,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[6,6,6a]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[5,6,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[6,6,6a]C[3x6]){2|Cl<1>,1|C<4>,7|C<3>}	103.8370	0.000	1	103.8370	0.000	1	103.8370	0.000	1	103.8370	0.000	1	102.0370	10.546	17	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:3:4:3:	3:3:4:3:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6a,6a]-3:C[5a,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[5,6,6]C[5,6,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[5,6,6]C[5,6,6a]2)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[5,6,6]C[5,6,6a]2){14|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[5,6,6]C[5,6,6a]2){14|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]2){11|C<3>}	111.3140	0.000	1	111.3140	0.000	1	111.3140	0.000	1	111.3140	0.000	1	102.0370	10.546	17	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:4:3:1:	3:4:3:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:Cl-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:Cl-1:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2)(Cl)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2)(Cl)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2)(Cl){1|Cl<1>,2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2)(Cl){3|C<4>,5|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl){2|Cl<1>,1|C<4>,7|C<3>}	103.5780	0.000	1	103.4665	0.025	2	103.4665	0.025	2	103.4665	0.025	2	102.0370	10.546	17	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:4:3:1:	3:4:3:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:Cl-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:Cl-1:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2)(Cl)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2)(Cl)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2)(Cl){3|C<4>,5|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2)(Cl){1|Cl<1>,2|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl){2|Cl<1>,8|C<3>}	103.3550	0.000	1	103.4665	0.025	2	103.4665	0.025	2	103.4665	0.025	2	102.0370	10.546	17	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:4:3:1:	4:3:3:1:	3:4:3:	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[5,6a,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[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[5,6,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(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[5,6,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6]){2|Cl<1>,1|C<4>,7|C<3>}	103.2280	0.223	2	103.2280	0.050	2	103.2280	0.050	2	103.2280	0.050	2	102.0370	10.546	17	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:4:4:1:	3:4:4:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-4:Cl-1:	C[6,6,6a]-3:C[5,5,6]-4:C[5,6,6]-4:Cl-1:	C[5,5,6a]-3:C[6,6a,6a]-3:C[5,6,6]-4:	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[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[5,6,6a](C[5,5,6a]C[5,6,6a]C[5,5,6])(C[6,6a,6a]C[5,6,6a]C[3x6a])(C[5,6,6]C[5,6,6]2Cl)	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[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[5,6,6a](C[5,5,6a]C[5,6,6a]C[5,5,6])(C[6,6a,6a]C[5,6,6a]C[3x6a])(C[5,6,6]C[5,6,6]2Cl){3|Cl<1>,3|C<4>,5|C<3>}	97.3991	0.000	1	97.3991	0.000	1	97.3991	0.000	1	98.2794	0.594	3	102.0370	10.546	17	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:4:4:1:	3:4:4:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-4:Cl-1:	C[6,6,6a]-3:C[5,5,6]-4:C[5,6,6]-4:Cl-1:	C[6,6a,6a]-3:C[5,5,6a]-3:C[5,6,6]-4:	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[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[5,6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[5,5,6a]C[5,6,6a]C[5,5,6])(C[5,6,6]C[5,6,6]2Cl)	C[5,6,6](C[5,6,6a]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[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[5,6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[5,5,6a]C[5,6,6a]C[5,5,6])(C[5,6,6]C[5,6,6]2Cl){3|Cl<1>,3|C<4>,5|C<3>}	98.8316	0.000	1	98.8316	0.000	1	98.8316	0.000	1	98.2794	0.594	3	102.0370	10.546	17	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:4:4:1:	3:4:4:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-4:Cl-1:	C[6,6,6a]-3:C[5,6,6]-4:C[5,6,6]-4: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[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[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[5,6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl)	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[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[5,6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl){3|Cl<1>,3|C<4>,5|C<3>}	98.6075	0.000	1	98.6075	0.000	1	98.6075	0.000	1	98.2794	0.594	3	102.0370	10.546	17	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-4:Cl-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6,6a]-3:Cl-1:	C[5,6,6a]-3:C[6,6a,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(Cl)	C[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[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6a,6a]C[6,6a,6a]2)(C[5,6,6]C[5,6,6]2Cl)	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[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[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6a,6a]C[6,6a,6a]2)(C[5,6,6]C[5,6,6]2Cl){3|Cl<1>,3|C<4>,5|C<3>}	100.3020	0.000	1	100.3020	0.000	1	99.7314	0.651	2	99.7314	0.651	2	102.0370	10.546	17	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-4:Cl-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6,6a]-3:Cl-1:	C[5,6,6a]-3:C[6,6a,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(Cl)	C[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[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6a,6a]C[6,6a,6a]2)(C[5,6,6]C[5,6,6]2Cl)	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[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[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6a,6a]C[6,6a,6a]2)(C[5,6,6]C[5,6,6]2Cl){3|Cl<1>,2|C<4>,6|C<3>}	99.1609	0.000	1	99.1609	0.000	1	99.7314	0.651	2	99.7314	0.651	2	102.0370	10.546	17	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	4:3:3:1:	3:4:3:1:	3:3:4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:Cl-1:	C[5,6,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:Cl-1:	C[5,6a,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[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[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[5,6,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl)	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[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[5,6,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl){2|Cl<1>,1|C<4>,7|C<3>}	104.1980	0.027	2	104.1980	0.001	2	104.1980	0.001	2	104.1980	0.001	2	102.0370	10.546	17	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	4:3:3:1:	4:4:3:1:	3:3:4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:Cl-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6,6a]-3:Cl-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[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[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[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl)	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[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[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl){3|Cl<1>,4|C<3>,4|C<4>}	101.6130	0.000	1	101.6130	0.000	1	101.6130	0.000	1	101.6130	0.000	1	102.0370	10.546	17	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	4:3:4:1:	3:3:4:1:	3:3:4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-4:Cl-1:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:Cl-1:	C[5,6a,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[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[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[5,6,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6,6a]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[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[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[5,6,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl){2|Cl<1>,2|C<4>,6|C<3>}	101.6090	0.000	1	101.6090	0.000	1	101.6090	0.000	1	101.6090	0.000	1	102.0370	10.546	17	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	4:4:3:1:	3:4:4:1:	3:3:4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6a]-3:Cl-1:	C[6,6,6a]-3:C[5,6,6]-4:C[5,6,6]-4:Cl-1:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,5,6]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[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[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl)	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[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[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl){4|Cl<1>,3|C<4>,5|C<3>}	100.4560	0.000	1	100.4560	0.000	1	100.4560	0.000	1	100.4560	0.000	1	102.0370	10.546	17	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	4:4:3:1:	4:4:3:1:	3:3:4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6a]-3:Cl-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6,6a]-3:Cl-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	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[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[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl)	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[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[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl){4|Cl<1>,4|C<3>,4|C<4>}	99.7131	0.000	1	99.7131	0.000	1	99.7131	0.000	1	99.7131	0.000	1	102.0370	10.546	17	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6a]	3:4:4:4:	4:3:4:4:	4:3:3:	C[5,6a]-3:C[5,6,6]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:C[5]-3:C[6]-4:C[6]-4:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[5]C[6]2)(C[6]C[6]HH)2	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[5]C[5,6a]O)(C[6]C[6]HH)2	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[5]C[6]2)(C[6]C[6]HH)2{1|O<1>,2|C<3>,2|C<4>,9|H<1>}	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[5]C[5,6a]O)(C[6]C[6]HH)2{2|C<3>,2|C<4>,8|H<1>}	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,4|C<4>,5|H<1>}	101.4710	0.000	1	101.4710	0.000	1	101.4710	0.000	1	100.6961	1.201	2	102.0213	6.064	25	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6a]	3:4:4:4:	4:3:4:4:	4:3:3:	C[5,6a]-3:C[5,6,6]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:N[5]-3:C[6]-4:C[6]-4:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[6]2N[5])(C[6]C[6]HH)2	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(C[6]C[6]HH)2	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[6]2N[5])(C[6]C[6]HH)2{2|C<4>,3|C<3>,9|H<1>}	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(C[6]C[6]HH)2{1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<3>,5|C<4>,5|H<1>}	99.9212	0.000	1	99.9212	0.000	1	99.9212	0.000	1	100.6961	1.201	2	102.0213	6.064	25	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6a]	3:4:4:4:	4:4:4:3:	4:3:3:	C[5,6a]-3:C[5,6,6]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[5]C[6]2)(C[6]C[5,6]HH)(C[6]C[6]HH)	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[5]C[5,6a]HH)(C[6]C[6]HH)(C[6]N[6]H)	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[5]C[6]2)(C[6]C[5,6]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,2|O<2>,8|H<1>}	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[5]C[5,6a]HH)(C[6]C[6]HH)(C[6]N[6]H){2|C<3>,3|C<4>,6|H<1>}	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	102.0480	0.000	1	102.0480	0.000	1	102.0480	0.000	1	102.0480	0.000	1	102.0213	6.064	25	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6a]	3:4:4:4:	4:4:4:4:	4:3:3:	C[5,6a]-3:C[5,6,6]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[5]C[6]2)(C[6]C[6]HH)2	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[5]C[5,6a]HH)(C[6]C[6]HH)(C[6]N[6]HH)	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[5]C[6]2)(C[6]C[6]HH)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,9|H<1>}	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[5]C[5,6a]HH)(C[6]C[6]HH)(C[6]N[6]HH){2|C<4>,3|C<3>,6|H<1>}	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	101.9170	0.000	1	101.9170	0.000	1	101.9170	0.000	1	101.9170	0.000	1	102.0213	6.064	25	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6a]	4:3:2:3:	4:3:2:2:	4:3:3:	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[5,6a]-3:C[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])	C[5,6a](C[5,6,6]C[5,6,6]C[6]O[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	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>}	C[5,6a](C[5,6,6]C[5,6,6]C[6]O[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	100.7510	0.000	1	100.7510	0.000	1	100.7510	0.000	1	100.7510	0.000	1	102.0213	6.064	25	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6a]	4:3:4:1:	4:4:4:1:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:C[3x6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2C)(H)	C[5,6,6](C[5,6,6]C[5,6a]C[3x6]H)(C[3x6]C[6,6]2C)(C[5]C[5,6a]HH)(H)	C[5,6a](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2C)(H){2|C<2>,3|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[5,6a]C[3x6]H)(C[3x6]C[6,6]2C)(C[5]C[5,6a]HH)(H){2|C<2>,3|C<3>,3|C<4>}	C[5,6a](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,5|H<1>}	104.1600	0.000	1	104.1600	0.000	1	104.1600	0.000	1	104.1600	0.000	1	102.0213	6.064	25	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6a]	4:3:4:3:	4:4:3:1:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:C[3x6]-4:N-3:	C[5,6,6]-4:C[3x6]-4:N[5]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6,6](C[5,6,6]C[3x6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2H)(NOO)	C[5,6,6](C[5,6,6]C[5,6a]C[3x6]N)(C[3x6]C[6,6]2H)(N[5]C[5,6a]S)(H)	C[5,6a](C[5,6,6]C[5,6,6]C[3x6]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6,6](C[5,6,6]C[3x6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2H)(NOO){1|C<4>,1|S<4>,3|C<3>,6|H<1>}	C[5,6,6](C[5,6,6]C[5,6a]C[3x6]N)(C[3x6]C[6,6]2H)(N[5]C[5,6a]S)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6,6]C[5,6,6]C[3x6]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|S<4>,3|C<4>,4|H<1>}	104.4370	0.000	1	104.4370	0.000	1	104.4370	0.000	1	104.4370	0.000	1	102.0213	6.064	25	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6a]	4:3:4:4:	4:4:2:1:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)2	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[6,6]C[6]N[6]H)(O[5]C[5,6a])(H)	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[6,6]C[6]N[6]H)(O[5]C[5,6a])(H){2|C<3>,3|C<4>,6|H<1>}	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,6|H<1>}	97.6289	0.000	1	97.6674	0.006	4	97.6674	0.006	4	97.6674	0.006	4	102.0213	6.064	25	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6a]	4:3:4:4:	4:4:2:1:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)2	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[6,6]C[6]N[6]H)(O[5]C[5,6a])(H)	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[6,6]C[6]N[6]H)(O[5]C[5,6a])(H){2|C<3>,3|C<4>,6|H<1>}	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	97.6447	0.095	2	97.6674	0.006	4	97.6674	0.006	4	97.6674	0.006	4	102.0213	6.064	25	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6a]	4:3:4:4:	4:4:2:1:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:C[6]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)2	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[6,6]C[6]N[6]H)(O[5]C[5,6a])(H)	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,1|N<4>,2|C<3>,6|H<1>}	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[6,6]C[6]N[6]H)(O[5]C[5,6a])(H){2|C<3>,3|C<4>,7|H<1>}	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,6|H<1>}	97.7514	0.000	1	97.6674	0.006	4	97.6674	0.006	4	97.6674	0.006	4	102.0213	6.064	25	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6a]	4:3:4:4:	4:4:3:1:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:C[3x6]-4:C-4:	C[5,6,6]-4:C[3x6]-4:N[5]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6,6](C[5,6,6]C[3x6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2H)(CCHH)	C[5,6,6](C[5,6,6]C[5,6a]C[3x6]C)(C[3x6]C[6,6]2H)(N[5]C[5,6a]H)(H)	C[5,6a](C[5,6,6]C[5,6,6]C[3x6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6,6](C[5,6,6]C[3x6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2H)(CCHH){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,6a]C[3x6]C)(C[3x6]C[6,6]2H)(N[5]C[5,6a]H)(H){1|H<1>,2|O<2>,5|C<3>}	C[5,6a](C[5,6,6]C[5,6,6]C[3x6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	102.7990	0.000	1	102.7990	0.000	1	102.7455	0.006	2	101.1843	7.315	3	102.0213	6.064	25	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6a]	4:3:4:4:	4:4:3:1:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:C[3x6]-4:C-4:	C[5,6,6]-4:C[3x6]-4:N[5]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6,6](C[5,6,6]C[3x6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2H)(CCHH)	C[5,6,6](C[5,6,6]C[5,6a]C[3x6]C)(C[3x6]C[6,6]O[6,6]H)(N[5]C[5,6a]C)(H)	C[5,6a](C[5,6,6]C[5,6,6]C[3x6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6,6](C[5,6,6]C[3x6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2H)(CCHH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,6a]C[3x6]C)(C[3x6]C[6,6]O[6,6]H)(N[5]C[5,6a]C)(H){1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6,6]C[5,6,6]C[3x6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	102.6920	0.000	1	102.6920	0.000	1	102.7455	0.006	2	101.1843	7.315	3	102.0213	6.064	25	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6a]	4:3:4:4:	4:4:3:1:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:C[6]-4:C[6]-4:	C[5,6,6]-4:C[3x6]-4:N[5]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6,6](C[5,6,6]C[3x6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)(C[6]C[6]HH)	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[3x6]C[6,6]N[6,6]H)(N[5]C[5,6a]C)(H)	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6,6](C[5,6,6]C[3x6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)(C[6]C[6]HH){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[3x6]C[6,6]N[6,6]H)(N[5]C[5,6a]C)(H){3|C<3>,3|C<4>,5|H<1>}	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,5|C<4>,5|H<1>}	98.0618	0.000	1	98.0618	0.000	1	98.0618	0.000	1	101.1843	7.315	3	102.0213	6.064	25	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6a]	4:3:4:4:	4:4:4:1:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:C[3x6]-4:C-4:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2H)(CCHH)	C[5,6,6](C[5,6,6]C[5,6a]C[3x6]C)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]HH)(H)	C[5,6a](C[5,6,6]C[5,6,6]C[3x6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2H)(CCHH){1|O<1>,1|O<2>,3|C<3>,5|H<1>}	C[5,6,6](C[5,6,6]C[5,6a]C[3x6]C)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]HH)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6,6]C[5,6,6]C[3x6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,6|H<1>}	103.8960	0.000	1	103.8960	0.000	1	103.8960	0.000	1	103.8960	0.000	1	102.0213	6.064	25	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[3x6]-4:C[5,6,6]-4:C[5,6a]-3:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]Cl)(C[5,6,6]C[3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6,6](C[3x6]C[5,6,6]N[6,6]Cl)(C[5,6,6]C[5,6a]C[3x6]H)(C[5]C[5,6a]HH)(H)	C[5,6a](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]Cl)(C[5,6,6]C[3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(H){2|Cl<1>,1|C<4>,1|N<2>,3|C<3>,4|H<1>}	C[5,6,6](C[3x6]C[5,6,6]N[6,6]Cl)(C[5,6,6]C[5,6a]C[3x6]H)(C[5]C[5,6a]HH)(H){1|Cl<1>,1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,2|C<3>,2|C<4>,5|H<1>}	104.0570	0.444	2	104.0570	0.197	2	104.0570	0.197	2	104.0570	0.197	2	102.0213	6.064	25	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6a]	4:4:3:1:	4:4:4:3:	4:3:3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6a]-3:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])2(C[5,6a]C[5,6a]C[6a])(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6a]H)(C[5,6]C[5,6a]C[5,6]H)(C[5]C[5,6a]HH)(C[6]C[5]C[6])	C[5,6a](C[5,6,6]C[5,6,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])2(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,7|H<1>,8|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6a]H)(C[5,6]C[5,6a]C[5,6]H)(C[5]C[5,6a]HH)(C[6]C[5]C[6]){1|H<1>,4|C<4>,6|C<3>}	C[5,6a](C[5,6,6]C[5,6,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	103.2310	0.000	2	103.2310	0.000	2	103.2310	0.000	2	103.2310	0.000	2	102.0213	6.064	25	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6a]	4:4:3:2:	4:4:3:1:	4:3:3:	C[5,3x6]-4:C[5,6,6]-4:C[5,6a]-3:O-2:	C[5,3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6,6](C[5,3x6]C[5,6,6]2C[5])(C[5,6,6]C[5,3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(OH)	C[5,6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]C[5,6a])(C[5,6,6]C[5,3x6]C[5,6a]O)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6,6]C[5,3x6]C[5,6,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6,6](C[5,3x6]C[5,6,6]2C[5])(C[5,6,6]C[5,3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(OH){1|C<4>,2|H<1>,2|O<1>,7|C<3>}	C[5,6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]C[5,6a])(C[5,6,6]C[5,3x6]C[5,6a]O)(C[5]C[5,6a]O)(H){2|C<4>,8|C<3>}	C[5,6a](C[5,6,6]C[5,3x6]C[5,6,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	104.3150	0.000	1	104.3150	0.000	1	104.0322	0.038	5	104.0322	0.038	5	102.0213	6.064	25	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6a]	4:4:3:2:	4:4:3:1:	4:3:3:	C[5,3x6]-4:C[5,6,6]-4:C[5,6a]-3:O-2:	C[5,3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(OH)	C[5,6,6](C[5,3x6]C[5,6,6]2C[5,6a])(C[5,6,6]C[5,3x6]C[5,6a]O)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6,6]C[5,3x6]C[5,6,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(OH){1|C<4>,2|H<1>,2|O<1>,7|C<3>}	C[5,6,6](C[5,3x6]C[5,6,6]2C[5,6a])(C[5,6,6]C[5,3x6]C[5,6a]O)(C[5]C[5,6a]O)(H){1|C<4>,9|C<3>}	C[5,6a](C[5,6,6]C[5,3x6]C[5,6,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	103.9615	0.131	4	103.9615	0.017	4	104.0322	0.038	5	104.0322	0.038	5	102.0213	6.064	25	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6a]	4:4:3:3:	4:4:3:1:	4:3:3:	C[5,3x6]-4:C[5,6,6]-4:C[5,6a]-3:C[5]-3:	C[5,6,6]-4:C[5,3x6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)	C[5,6,6](C[5,6,6]C[5,3x6]C[5,6a]C[5])(C[5,3x6]C[5,6,6]2C[5,6a])(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6,6]C[5,3x6]C[5,6,6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]2){1|C<4>,1|O<2>,2|H<1>,3|O<1>,9|C<3>}	C[5,6,6](C[5,6,6]C[5,3x6]C[5,6a]C[5])(C[5,3x6]C[5,6,6]2C[5,6a])(C[5]C[5,6a]O)(H){11|C<3>,1|C<4>}	C[5,6a](C[5,6,6]C[5,3x6]C[5,6,6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	102.9730	0.000	1	102.9730	0.000	1	102.9730	0.000	1	102.9730	0.000	1	102.0213	6.064	25	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6,6]	C[5,6]	C[5,6,6a]	3:4:4:1:	4:2:4:1:	4:3:3:	C[5,6,6a]-3:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H)	C[5,6](C[5,6,6]C[5,6,6a]C[6,6]H)(O[5]C[5,6a])(C[6]C[6]CO)(H)	C[5,6,6a](C[5,6,6]C[5,6]C[6,6]H)(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]O[6])	C[5,6,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(H){2|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,6,6]C[5,6,6a]C[6,6]H)(O[5]C[5,6a])(C[6]C[6]CO)(H){2|C<3>,2|C<4>,3|H<1>}	C[5,6,6a](C[5,6,6]C[5,6]C[6,6]H)(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]O[6]){2|C<3>,3|C<4>,3|H<1>}	99.5874	0.000	1	99.5874	0.000	1	99.5874	0.000	1	99.5874	0.000	1	102.6672	5.062	8	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6,6]	C[5,6]	C[5,6,6a]	3:4:4:3:	4:2:4:1:	4:3:3:	C[5,6,6a]-3:C[5,6]-4:C[6]-4:N[6]-3:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(N[6]C[6]O)	C[5,6](C[5,6,6]C[5,6,6a]C[6]N[6])(O[5]C[5,6a])(C[6]C[6]HH)(H)	C[5,6,6a](C[5,6,6]C[5,6]C[6]N[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[5,6,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(N[6]C[6]O){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6,6a]C[6]N[6])(O[5]C[5,6a])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5,6,6a](C[5,6,6]C[5,6]C[6]N[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	98.5520	0.000	1	98.5520	0.000	1	98.5520	0.000	1	98.5520	0.000	1	102.6672	5.062	8	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6,6]	C[5,6]	C[5,6,6a]	4:3:4:1:	4:3:3:4:	4:3:3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6]-4:H-1:	C[5,6,6]-4:C[5]-3:C[6]-3:C-4:	C[5,6,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6]H)(C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5]C[6]C)(H)	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[5]C[5,6a]O)(C[6]C[6,6a]C)(CH3)	C[5,6,6a](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6]H)(C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5]C[6]C)(H){1|C<2>,1|C<4>,1|O<1>,6|C<3>}	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[5]C[5,6a]O)(C[6]C[6,6a]C)(CH3){1|C<4>,1|H<1>,4|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6]){1|C<2>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	103.5500	0.180	2	103.5500	0.032	2	103.8250	0.116	4	103.8250	0.116	4	102.6672	5.062	8	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6,6]	C[5,6]	C[5,6,6a]	4:3:4:1:	4:3:3:4:	4:3:3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6]-4:H-1:	C[5,6,6]-4:C[5]-3:C[6]-3:C-4:	C[5,6,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6]H)(C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5]C[6]C)(H)	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[5]C[5,6a]O)(C[6]C[6,6a]O)(CH3)	C[5,6,6a](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6]H)(C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5]C[6]C)(H){1|C<4>,2|O<1>,6|C<3>}	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[5]C[5,6a]O)(C[6]C[6,6a]O)(CH3){1|C<4>,1|H<1>,4|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6]){2|C<4>,2|O<1>,3|C<3>,3|H<1>}	104.1000	0.117	2	104.1000	0.014	2	103.8250	0.116	4	103.8250	0.116	4	102.6672	5.062	8	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6,6]	C[5,6]	C[5,6,6a]	4:3:4:1:	4:4:3:4:	4:3:3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6]H)(C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5]C[6]C)(H)	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[6]C[6,6a]CO)(C[5]C[5,6a]O)(CH3)	C[5,6,6a](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6]H)(C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5]C[6]C)(H){1|C<2>,1|O<1>,1|O<2>,2|C<4>,5|C<3>}	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[6]C[6,6a]CO)(C[5]C[5,6a]O)(CH3){1|C<4>,1|H<1>,4|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6]){1|C<2>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	103.9490	0.126	2	103.9490	0.016	2	103.9490	0.016	2	103.9490	0.016	2	102.6672	5.062	8	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6,6]	C[5,6]	C[5,6a]	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[5,6a]-3:C[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[5,6a](C[5,6,6]C[6,6,6a]C[5,6]C[6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	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[5,6a](C[5,6,6]C[6,6,6a]C[5,6]C[6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){5|C<3>,6|H<1>}	100.3200	0.000	1	100.3200	0.000	1	100.3200	0.000	1	100.3200	0.000	1	101.6020	3.724	11	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6,6]	C[5,6]	C[5,6a]	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[5,6a]-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[5,6a](C[5,6,6]C[6,6,6a]C[5,6]C[6])(C[5,6a]C[6a,6a]C[5,6])(C[6,6a]C[6,6,6a]O[6])	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[5,6a](C[5,6,6]C[6,6,6a]C[5,6]C[6])(C[5,6a]C[6a,6a]C[5,6])(C[6,6a]C[6,6,6a]O[6]){2|C<4>,2|O<2>,4|H<1>,5|C<3>}	101.2960	0.356	2	101.2960	0.127	2	101.2960	0.127	2	101.2960	0.127	2	101.6020	3.724	11	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6,6]	C[5,6]	C[5,6a]	3:4:4:4:	4:2:3:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6,6]-4:C[6]-4:	C[5,6,6]-4:O[5]-2:C[6]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H)	C[5,6a](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH){1|C<4>,1|N<4>,1|O<1>,2|C<3>,7|H<1>}	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H){2|C<3>,3|C<4>,5|H<1>}	C[5,6a](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	97.6972	0.000	1	97.6972	0.000	1	97.6972	0.000	1	97.6972	0.000	1	101.6020	3.724	11	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6,6]	C[5,6]	C[5,6a]	3:4:4:4:	4:2:4:2:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6,6]-4:C[6]-4:	C[5,6,6]-4:O[5]-2:C[6]-4:O-2:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]O)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(O[5]C[5,6a])(C[6]C[6]HH)(OH)	C[5,6a](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]O)(C[6,6]C[6]2H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,7|H<1>}	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(O[5]C[5,6a])(C[6]C[6]HH)(OH){2|C<4>,3|C<3>,5|H<1>}	C[5,6a](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	99.1595	0.000	1	99.1595	0.000	1	99.1595	0.000	1	99.1595	0.000	1	101.6020	3.724	11	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6,6]	C[5,6]	C[5,6a]	3:4:4:4:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[6,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6]-4:N[5]-3:N[6]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[5,6]N[5]N[6]H)(C[6]C[6]HH)	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(N[6]C[6,6a]H)(H)	C[5,6a](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]C)	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[5,6]N[5]N[6]H)(C[6]C[6]HH){1|C<4>,1|N<3>,4|H<1>,6|C<3>}	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(N[6]C[6,6a]H)(H){2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]C){1|N<3>,2|C<3>,3|C<4>,6|H<1>}	102.5960	0.000	1	102.5960	0.000	1	102.7320	0.037	2	102.7320	0.037	2	101.6020	3.724	11	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6,6]	C[5,6]	C[5,6a]	3:4:4:4:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[6,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6]-4:N[5]-3:N[6]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[5,6]N[5]N[6]H)(C[6]C[6]HH)	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(N[6]C[6,6a]H)(H)	C[5,6a](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[5,6]N[5]N[6]H)(C[6]C[6]HH){1|C<4>,1|N<3>,5|C<3>,5|H<1>}	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(N[6]C[6,6a]H)(H){2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,6|H<1>}	102.8680	0.000	1	102.8680	0.000	1	102.7320	0.037	2	102.7320	0.037	2	101.6020	3.724	11	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6,6]	C[5,6]	C[5,6a]	4:3:3:4:	4:4:3:1:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5,6]-4:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-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[5,6]C[5])(C[5,6]C[5]C[6]H)	C[5,6](C[5,6,6]C[5,6,6]C[5,6a]C[5,6])(C[6]C[5,6]C[5a]H)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6,6]C[5,6,6]C[5,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6]C[5])(C[5,6]C[5]C[6]H){1|C<4>,1|O<2>,2|H<1>,4|O<1>,8|C<3>}	C[5,6](C[5,6,6]C[5,6,6]C[5,6a]C[5,6])(C[6]C[5,6]C[5a]H)(C[5]C[5,6a]O)(H){1|C<4>,1|H<1>,1|N<2>,8|C<3>}	C[5,6a](C[5,6,6]C[5,6,6]C[5,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	102.3160	0.298	2	102.3160	0.089	2	102.3160	0.089	2	102.3160	0.089	2	101.6020	3.724	11	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6,6]	C[5,6]	C[5,6a]	4:3:4:2:	4:4:3:1:	4:3:3:	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[5,6a]-3:C[6a]-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)	C[5,6a](C[5,6,6]C[5,6,6]C[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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>}	C[5,6a](C[5,6,6]C[5,6,6]C[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	103.8785	0.069	2	103.8785	0.005	2	103.8785	0.005	2	103.8785	0.005	2	101.6020	3.724	11	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[3x5,6]	C[5,6a]	4:3:4:1:	4:4:4:4:	4:3:3:	C[3x5,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:C[5,5]-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]BrH)(H)	C[3x5,6](C[5,6]C[5,6a]C[6]H)2(C[5,5]C[5,6a]2H)2	C[5,6a](C[5,6]C[3x5,6]C[6]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]BrH)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[3x5,6](C[5,6]C[5,6a]C[6]H)2(C[5,5]C[5,6a]2H)2{2|Br<1>,2|H<1>,7|C<3>}	C[5,6a](C[5,6]C[3x5,6]C[6]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O){1|Br<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	102.6410	1.574	2	102.6410	2.478	2	102.6410	2.478	2	102.6410	2.478	2	102.6410	2.478	2	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[5,5a]	4:3:4:1:	4:4:4:4:	4:3:3:	C[5,5,6]-4:C[5,5a]-3:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:C[5,5a]-3:C[5a]-3:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,5a]C[5,5a]C[5a])(C[6]C[6]CH)(H)	C[5,5,6](C[5,5]C[5,5a]N[5]H)(C[5,6]C[5,5a]C[6]H)(C[5]C[5]HH)(C[6]N[6]HH)	C[5,5a](C[5,6]C[5,5,6]C[6]H)(C[5,5a]C[5,5]O[5a])(C[5a]C[5a]H)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,5a]C[5,5a]C[5a])(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|N<3>,6|H<1>}	C[5,5,6](C[5,5]C[5,5a]N[5]H)(C[5,6]C[5,5a]C[6]H)(C[5]C[5]HH)(C[6]N[6]HH){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5,5a](C[5,6]C[5,5,6]C[6]H)(C[5,5a]C[5,5]O[5a])(C[5a]C[5a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	102.6780	0.000	1	102.6780	0.000	1	102.6767	0.612	3	102.6767	0.612	3	102.6767	0.612	3	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[5,5a]	4:3:4:1:	4:4:4:4:	4:3:3:	C[5,5,6]-4:C[5,5a]-3:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:C[5,5a]-3:C[5a]-3:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,5a]C[5,5a]C[5a])(C[6]C[6]HH)(H)	C[5,5,6](C[5,5]C[5,5a]N[5]H)(C[5,6]C[5,5a]C[6]H)(C[5]C[5]HH)(C[6]N[6]HH)	C[5,5a](C[5,6]C[5,5,6]C[6]H)(C[5,5a]C[5,5]O[5a])(C[5a]C[5a]H)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,5a]C[5,5a]C[5a])(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|N<3>,6|H<1>}	C[5,5,6](C[5,5]C[5,5a]N[5]H)(C[5,6]C[5,5a]C[6]H)(C[5]C[5]HH)(C[6]N[6]HH){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,5a](C[5,6]C[5,5,6]C[6]H)(C[5,5a]C[5,5]O[5a])(C[5a]C[5a]H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	103.4580	0.000	1	103.4580	0.000	1	102.6767	0.612	3	102.6767	0.612	3	102.6767	0.612	3	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[5,5a]	4:3:4:1:	4:4:4:4:	4:3:3:	C[5,5,6]-4:C[5,5a]-3:C[6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:C[5,5a]-3:C[5a]-3:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,5a]C[5,5a]C[5a])(C[6]C[6]HO)(H)	C[5,5,6](C[5,5]C[5,5a]N[5]H)(C[5,6]C[5,5a]C[6]H)(C[5]C[5]HH)(C[6]N[6]HH)	C[5,5a](C[5,6]C[5,5,6]C[6]H)(C[5,5a]C[5,5]O[5a])(C[5a]C[5a]H)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,5a]C[5,5a]C[5a])(C[6]C[6]HO)(H){1|C<3>,1|C<4>,1|O<2>,2|N<3>,8|H<1>}	C[5,5,6](C[5,5]C[5,5a]N[5]H)(C[5,6]C[5,5a]C[6]H)(C[5]C[5]HH)(C[6]N[6]HH){1|C<4>,1|S<4>,2|H<1>,2|O<2>,3|C<3>}	C[5,5a](C[5,6]C[5,5,6]C[6]H)(C[5,5a]C[5,5]O[5a])(C[5a]C[5a]H){1|N<3>,1|O<2>,3|C<4>,3|H<1>}	101.8940	0.000	1	101.8940	0.000	1	102.6767	0.612	3	102.6767	0.612	3	102.6767	0.612	3	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6a]	3:4:3:4:	4:4:4:1:	3:4:2:	C[5,6a]-3:C[5,5,6]-4:C[6]-3:C[6]-4:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,6a]-3:C[5,6]-4:O[6a]-2:	C[5,6](C[5,6a]C[5,6a]O[6a])(C[5,5,6]C[5,5,6]2H)(C[6]C[6,6a]O)(C[6]C[6]HH)	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,6]C[5,6a]C[6]2)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5,6]C[5,5,6]C[6]2)(O[6a]C[6a,6a])	C[5,6](C[5,6a]C[5,6a]O[6a])(C[5,5,6]C[5,5,6]2H)(C[6]C[6,6a]O)(C[6]C[6]HH){3|C<4>,4|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,6]C[5,6a]C[6]2)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5,6]C[5,5,6]C[6]2)(O[6a]C[6a,6a]){2|O<1>,3|C<3>,3|C<4>,4|H<1>}	101.8180	0.000	1	101.8180	0.000	1	101.8180	0.000	1	101.8180	0.000	1	101.5669	1.377	30	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6a]	4:3:2:1:	4:4:2:4:	4:3:3:	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[5,6a]-3:C[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)	C[5,6a](C[5,6]C[5,5,6]O[6]H)(C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]C)	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>}	C[5,6a](C[5,6]C[5,5,6]O[6]H)(C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]C){1|O<2>,2|C<4>,3|C<3>}	102.3590	0.000	1	102.3590	0.000	1	102.3590	0.000	1	102.3590	0.000	1	101.5669	1.377	30	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6a]	4:3:3:1:	3:4:3:3:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5,5]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-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)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5])	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	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[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5]){1|H<1>,1|O<1>,1|O<2>,8|C<3>}	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	102.0180	0.557	2	102.0180	0.310	2	102.0180	0.310	2	102.0180	0.310	2	101.5669	1.377	30	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6a]	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[5,6a]-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[5,6a](C[5,6]C[5,5,6]C[6,6a]H)(C[5,6a]C[5,5,6]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[5,6a](C[5,6]C[5,5,6]C[6,6a]H)(C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<4>,4|C<3>}	100.2795	0.132	2	100.2795	0.017	2	100.2795	0.017	2	100.2795	0.017	2	101.5669	1.377	30	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6a]	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[5,6a]-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[5,6a](C[5,6]C[5,5,6]C[6,6a]H)(C[5,6a]C[5,5,6]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[5,6a](C[5,6]C[5,5,6]C[6,6a]H)(C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,3|H<1>,4|C<3>}	100.0590	0.000	1	100.0590	0.000	1	100.0590	0.000	1	100.0590	0.000	1	101.5669	1.377	30	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6a]	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[5,6a]-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[5,6a](C[5,6]C[5,5,6]C[6,6a]H)(C[5,6a]C[5,5,6]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[5,6a](C[5,6]C[5,5,6]C[6,6a]H)(C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<4>,4|C<3>}	100.7990	0.049	2	100.7990	0.002	2	100.7990	0.002	2	100.7990	0.002	2	101.5669	1.377	30	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6a]	4:3:3:1:	4:4:4:1:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6]-3:H-1:	C[5,5]-4:C[5,6]-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[5,6a]C[5,6a]C[6a])(C[6]C[6]H)(H)	C[5,5,6](C[5,5]C[5,6a]C[5]H)(C[5,6]C[5,6a]C[6]H)(C[5,6]C[5,6]HH)(H)	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H)(H){2|C<4>,3|C<3>,4|H<1>}	C[5,5,6](C[5,5]C[5,6a]C[5]H)(C[5,6]C[5,6a]C[6]H)(C[5,6]C[5,6]HH)(H){3|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	102.8300	0.000	1	102.8300	0.000	1	102.8300	0.000	1	102.8300	0.000	1	101.5669	1.377	30	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6a]	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[5,6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(C[6,6a]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[5,6a](C[5,6]C[5,5,6]C[6,6a]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(C[6,6a]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[5,6a](C[5,6]C[5,5,6]C[6,6a]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	102.6120	0.000	1	102.6120	0.000	1	102.6120	0.000	1	102.6120	0.000	1	101.5669	1.377	30	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6a]	4:3:3:4:	4:3:3:3:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6]-3:C-4:	C[5,6]-4:N[5,6]-3:N[5]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,5,6]N[5,6]N[5]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H)(CC3)	C[5,5,6](C[5,6]C[5,6a]C[6]C)(N[5,6]C[5]C[6])(N[5]C[5,6a]O)(N[5]C[5]H)	C[5,6a](C[5,6]C[5,5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,5,6]N[5,6]N[5]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H)(CC3){2|H<1>,2|O<2>,5|C<3>}	C[5,5,6](C[5,6]C[5,6a]C[6]C)(N[5,6]C[5]C[6])(N[5]C[5,6a]O)(N[5]C[5]H){1|H<1>,2|O<1>,4|C<3>}	C[5,6a](C[5,6]C[5,5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|N<3>,3|H<1>}	99.4792	0.000	1	99.4792	0.000	1	99.4792	0.000	1	99.4792	0.000	1	101.5669	1.377	30	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6a]	4:3:4:1:	3:4:2:4:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[5,6,6]-3:C[5,6]-4:O[5]-2:C[5]-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,6,6]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H)	C[5,5,6](C[5,6,6]C[5,6]C[6,6])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[5]C[5]CC)	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[6a,6a]O[5])(C[6a]O[6a]O)	C[5,6](C[5,5,6]C[5,6,6]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,5|C<4>}	C[5,5,6](C[5,6,6]C[5,6]C[6,6])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[5]C[5]CC){2|C<3>,4|C<4>,4|H<1>}	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[6a,6a]O[5])(C[6a]O[6a]O){2|C<4>,2|H<1>,3|C<3>}	100.7610	0.000	1	100.5950	0.056	3	100.5950	0.056	3	100.5950	0.056	3	101.5669	1.377	30	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6a]	4:3:4:1:	3:4:2:4:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[5,6,6]-3:C[5,6]-4:O[5]-2:C[5]-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,6,6]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H)	C[5,5,6](C[5,6,6]C[5,6]C[6,6])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[5]C[5]CC)	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[6a,6a]O[5])(C[6a]O[6a]O)	C[5,6](C[5,5,6]C[5,6,6]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,5|C<4>}	C[5,5,6](C[5,6,6]C[5,6]C[6,6])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[5]C[5]CC){3|C<3>,3|C<4>,4|H<1>}	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[6a,6a]O[5])(C[6a]O[6a]O){2|C<4>,2|H<1>,3|C<3>}	100.5120	0.266	2	100.5950	0.056	3	100.5950	0.056	3	100.5950	0.056	3	101.5669	1.377	30	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6a]	4:3:4:1:	3:4:3:3:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,6a]C[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(C[6]N[6]HO)(H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5,6]N[5]N[6])(N[5]C[5,6a]C)	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,6a]C[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(C[6]N[6]HO)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,5|C<3>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5,6]N[5]N[6])(N[5]C[5,6a]C){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	101.4790	0.000	1	101.4790	0.000	1	101.4790	0.000	1	101.4790	0.000	1	101.5669	1.377	30	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6a]	4:3:4:1:	4:3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:F-1:	C[5,6]-4:N[5,5]-3:N[5,6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(F)	C[5,5,6](C[5,6]C[5,6a]C[6]F)(N[5,5]C[5,6a]C[5])(N[5,6]C[5]C[6])(H)	C[5,6a](C[5,6]C[5,5,6]C[6]F)(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(F){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,5,6](C[5,6]C[5,6a]C[6]F)(N[5,5]C[5,6a]C[5])(N[5,6]C[5]C[6])(H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[5,6a](C[5,6]C[5,5,6]C[6]F)(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	102.3030	0.000	1	102.3030	0.000	1	102.3030	0.000	1	102.3030	0.000	1	101.5669	1.377	30	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6a]	4:3:4:1:	4:3:4:1:	3:4:3:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:H-1:	C[5,6a]-3:C[5,6]-4: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]C[6]HH)(H)	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]O)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5,6]C[5,5,6]C[6]H)(C[6a]C[6a]H)	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]C[6]HH)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]O)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(H){1|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5,6]C[5,5,6]C[6]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	100.0240	0.000	1	100.0240	0.000	1	100.0240	0.000	1	100.0240	0.000	1	101.5669	1.377	30	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6a]	4:3:4:1:	4:3:4:2:	3:4:3:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:O-2:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]O)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H)	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(OS)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5,6]C[5,5,6]C[6]H)(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]O)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(OS){1|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5,6]C[5,5,6]C[6]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	101.2570	0.000	1	101.2570	0.000	1	101.2570	0.000	1	101.2570	0.000	1	101.5669	1.377	30	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6a]	4:3:4:1:	4:4:2:4:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O[5]-2:C[5]-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,6,6]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H)	C[5,5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[5]C[5]CC)	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]O[6a]O[5])(C[6a]C[6a,6a]O)	C[5,6](C[5,5,6]C[5,6,6]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,5|C<4>}	C[5,5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[5]C[5]CC){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]O[6a]O[5])(C[6a]C[6a,6a]O){2|C<3>,2|H<1>,3|C<4>}	101.0720	0.000	1	101.0720	0.000	1	101.0720	0.000	1	101.0720	0.000	1	101.5669	1.377	30	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6a]	4:3:4:1:	4:4:3:1:	3:4:3:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]N[6]HH)(H)	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6a]C[6]H)(C[5]C[6a]C[5])(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5,6]C[5,5,6]C[6]H)(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]N[6]HH)(H){1|H<1>,3|C<4>,4|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]H)(C[5]C[6a]C[5])(H){1|N<3>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5,6]C[5,5,6]C[6]H)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	101.2877	0.052	3	101.2877	0.003	3	101.2877	0.003	3	101.2877	0.003	3	101.5669	1.377	30	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6a]	4:3:4:1:	4:4:4:1:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[5,5]-4:C[5,6]-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[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H)	C[5,5,6](C[5,5]C[5,6a]C[5]O)(C[5,6]C[5,6a]C[6]H)(C[5,6]C[5]C[6]H)(H)	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5,5,6](C[5,5]C[5,6a]C[5]O)(C[5,6]C[5,6a]C[6]H)(C[5,6]C[5]C[6]H)(H){1|N<2>,4|C<3>,4|H<1>}	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	103.9190	0.000	1	103.9190	0.000	1	104.1940	0.151	2	104.1940	0.151	2	101.5669	1.377	30	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6a]	4:3:4:1:	4:4:4:1:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[5,5]-4:C[5,6]-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[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H)	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[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,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[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	104.4690	0.000	1	104.4690	0.000	1	104.1940	0.151	2	104.1940	0.151	2	101.5669	1.377	30	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6a]	4:3:4:1:	4:4:4:4:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H)	C[5,5,6](C[5,6]C[5,6a]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,6a]CH)(C[5]C[5]HH)	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,4|C<3>,8|H<1>}	C[5,5,6](C[5,6]C[5,6a]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,6a]CH)(C[5]C[5]HH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<3>,4|C<4>,4|H<1>}	102.3900	0.000	1	102.3900	0.000	1	102.3900	0.000	1	102.3900	0.000	1	101.5669	1.377	30	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6a]	4:3:4:2:	4:3:3:1:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:O-2:	C[5,6]-4:N[5,5]-3:N[5,6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(OH)	C[5,5,6](C[5,6]C[5,6a]C[6]O)(N[5,5]C[5,6a]C[5])(N[5,6]C[5]C[6])(H)	C[5,6a](C[5,6]C[5,5,6]C[6]O)(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(OH){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,5,6](C[5,6]C[5,6a]C[6]O)(N[5,5]C[5,6a]C[5])(N[5,6]C[5]C[6])(H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[5,6a](C[5,6]C[5,5,6]C[6]O)(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	101.9193	0.228	3	101.9193	0.052	3	101.9193	0.052	3	101.9193	0.052	3	101.5669	1.377	30	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,5,6]	C[5,6a]	4:3:4:4:	4:4:3:3:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:C-4:	C[5,6]-4:C[5,6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(CH3)	C[5,5,6](C[5,6]C[5,6a]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5,6a]O)(C[5]N[5]O)	C[5,6a](C[5,6]C[5,5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(CH3){1|C<4>,1|N<3>,2|O<1>,3|C<3>,4|H<1>}	C[5,5,6](C[5,6]C[5,6a]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5,6a]O)(C[5]N[5]O){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6]C[5,5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	103.3380	0.000	1	103.3380	0.000	1	103.3380	0.000	1	103.3380	0.000	1	101.5669	1.377	30	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6,6]	C[5,6a]	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[5,6a]-3:C[6a]-3:	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6,6a]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[5,6a](C[5,6]C[5,6,6]C[6,6a]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6,6a]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[5,6a](C[5,6]C[5,6,6]C[6,6a]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	101.8020	0.000	1	101.8020	0.000	1	101.8020	0.000	1	100.8845	1.684	2	102.5462	2.436	9	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6,6]	C[5,6a]	4:3:3:1:	4:3:3:1:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:H-1:	C[5,6]-4:N[5,6]-3:N[6,6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6,6]N[5,6]N[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H)(H)	C[5,6,6](C[5,6]C[5,6a]C[6]H)(N[5,6]C[5,6a]C[6])(N[6,6]C[6,6]H)(H)	C[5,6a](C[5,6]C[5,6,6]C[6]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6,6]N[5,6]N[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H)(H){2|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[5,6]C[5,6a]C[6]H)(N[5,6]C[5,6a]C[6])(N[6,6]C[6,6]H)(H){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6]C[5,6,6]C[6]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	99.9669	0.000	1	99.9669	0.000	1	99.9669	0.000	1	100.8845	1.684	2	102.5462	2.436	9	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6,6]	C[5,6a]	4:3:3:1:	4:3:4:4:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:N[6]-3:H-1:	C[5,6]-4:C[5,6]-3:C[6]-4:C[6]-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6a]C[5,6a]C[6a])(N[6]C[6]C)(H)	C[5,6,6](C[5,6]C[5,6a]N[6]H)(C[5,6]C[5,6a]C[6])(C[6]C[6]HH)2	C[5,6a](C[5,6]C[5,6,6]N[6]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6a]C[5,6a]C[6a])(N[6]C[6]C)(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[5,6,6](C[5,6]C[5,6a]N[6]H)(C[5,6]C[5,6a]C[6])(C[6]C[6]HH)2{2|C<4>,3|C<3>,5|H<1>}	C[5,6a](C[5,6]C[5,6,6]N[6]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	103.1560	0.000	1	103.1560	0.000	1	103.1560	0.000	1	103.1560	0.000	1	102.5462	2.436	9	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6,6]	C[5,6a]	4:3:3:1:	4:4:4:3:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H)(H)	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6a]H)(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]C[5,6]C)	C[5,6a](C[5,6]C[5,6,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H)(H){2|C<4>,4|H<1>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6a]H)(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]C[5,6]C){1|H<1>,3|C<4>,5|C<3>}	C[5,6a](C[5,6]C[5,6,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	104.7300	0.000	2	104.7300	0.000	2	104.7300	0.000	2	104.2123	0.804	3	102.5462	2.436	9	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6,6]	C[5,6a]	4:3:3:1:	4:4:4:3:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]N)(H)	C[5,6,6](C[5,6]C[5,6a]C[6]H)(C[6,6]N[5,6]C[6]O)(C[5]C[5,6a]HO)(C[6]C[6]O)	C[5,6a](C[5,6]C[5,6,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]N)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>,2|O<2>}	C[5,6,6](C[5,6]C[5,6a]C[6]H)(C[6,6]N[5,6]C[6]O)(C[5]C[5,6a]HO)(C[6]C[6]O){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6]C[5,6,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	103.1770	0.000	1	103.1770	0.000	1	103.1770	0.000	1	104.2123	0.804	3	102.5462	2.436	9	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6,6]	C[5,6a]	4:3:3:4:	4:3:4:1:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:C-4:	C[5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)(CCHH)	C[5,6,6](C[5,6]C[5,6a]C[6]C)(N[5,6]C[5,6a]C[6])(C[6,6]C[6]O[6]O)(H)	C[5,6a](C[5,6]C[5,6,6]C[6]C)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)(CCHH){2|H<1>,2|O<2>,4|C<3>}	C[5,6,6](C[5,6]C[5,6a]C[6]C)(N[5,6]C[5,6a]C[6])(C[6,6]C[6]O[6]O)(H){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6,6]C[6]C)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	101.3940	0.000	1	101.3940	0.000	1	101.3940	0.000	1	101.3940	0.000	1	102.5462	2.436	9	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6,6]	C[5,6a]	4:3:4:1:	4:4:2:3:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:O[5]-2:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]HH)(H)	C[5,6,6](C[5,6]C[5,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(O[5]C[5,6a])(C[6]C[6]H)	C[5,6a](C[5,6]C[5,6,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]HH)(H){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6]C[5,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(O[5]C[5,6a])(C[6]C[6]H){2|C<3>,4|H<1>,5|C<4>}	C[5,6a](C[5,6]C[5,6,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){2|C<4>,3|C<3>,3|H<1>}	101.9340	0.000	1	101.9340	0.000	1	101.9340	0.000	1	101.9340	0.000	1	102.5462	2.436	9	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6,6]	C[5,6a]	4:3:4:2:	4:3:4:3:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:C[6]-4:O-2:	C[5,6]-4:N[5,6]-3:C[6,6]-4:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	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[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[5,6a](C[5,6]C[5,6,6]C[6]O)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6,6]C[6,6]N[5,6]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[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[5,6a](C[5,6]C[5,6,6]C[6]O)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	102.0260	0.000	1	102.0260	0.000	1	102.0260	0.000	1	102.0260	0.000	1	102.5462	2.436	9	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,5a]	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:N[5,5a]-3:C[5a]-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[5,5a](C[5,6]C[6,6a]C[5,6]H)(N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]Cl)	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[5,5a](C[5,6]C[6,6a]C[5,6]H)(N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]Cl){1|C<4>,3|H<1>,4|C<3>}	100.7700	0.049	2	100.7700	0.002	2	100.7700	0.002	2	100.7700	0.002	2	98.4845	3.273	33	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,5a]	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[5,5a]-3:N[5a]-3:	C[5,6](C[5,5a]C[5,5a]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(CH3)	C[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[5,5a](C[5,6]C[6,6a]C[5,6]C)(C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)	C[5,6](C[5,5a]C[5,5a]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(CH3){1|O<2>,4|C<3>,6|H<1>}	C[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[5,5a](C[5,6]C[6,6a]C[5,6]C)(C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H){1|C<4>,3|H<1>,4|C<3>}	99.5164	0.000	1	99.5164	0.000	1	99.5164	0.000	1	99.5164	0.000	1	98.4845	3.273	33	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,5a]	3:4:3:1:	3:4:4:3:	4:3:2:	C[5,5a]-3:C[5,6]-4:N[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[5,5a]-3:S[5a]-2:	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[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[5,5a](C[5,6]C[5,6]N[6]H)(C[5,5a]C[5a]C[5])(S[5a]C[5a])	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[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[5,5a](C[5,6]C[5,6]N[6]H)(C[5,5a]C[5a]C[5])(S[5a]C[5a]){1|C<4>,3|C<3>,4|H<1>}	100.9170	0.000	1	100.9170	0.000	1	100.9170	0.000	1	100.9170	0.000	1	98.4845	3.273	33	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,5a]	3:4:3:1:	4:4:3:1:	4:3:3:	C[5,5a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:N[5,5a]-3:C[5a]-3:	C[5,6](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5]C[6]H)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5,5a]C[6]H)(C[5]N[5,5a]HH)(C[6]O[6]C)(H)	C[5,5a](C[5,6]C[5,6]C[6]H)(N[5,5a]C[5a]C[5])(C[5a]C[5a]H)	C[5,6](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5]C[6]H)(C[6]C[6]C)(H){1|O<2>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,5a]C[6]H)(C[5]N[5,5a]HH)(C[6]O[6]C)(H){1|C<2>,3|C<3>}	C[5,5a](C[5,6]C[5,6]C[6]H)(N[5,5a]C[5a]C[5])(C[5a]C[5a]H){1|C<2>,2|C<3>,5|H<1>}	101.5610	0.000	1	101.5610	0.000	1	101.5610	0.000	1	101.5610	0.000	1	98.4845	3.273	33	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,5a]	3:4:3:1:	4:4:4:1:	3:4:3:	C[5,5a]-3:C[5,6]-4:N[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	N[5,5a]-3:C[5,6]-4:C[5a]-3:	C[5,6](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(H)	C[5,6](C[5,6]C[5,5a]N[6]H)(C[5]N[5,5a]HH)(C[6]C[6,6a]CC)(H)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5,6]C[5,6]N[6]H)(C[5a]C[5a,6a]Cl)	C[5,6](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(H){1|Cl<1>,2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,5a]N[6]H)(C[5]N[5,5a]HH)(C[6]C[6,6a]CC)(H){1|H<1>,4|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5,6]C[5,6]N[6]H)(C[5a]C[5a,6a]Cl){1|C<4>,3|C<3>,4|H<1>}	101.7840	0.744	3	101.7840	0.554	3	101.7840	0.554	3	101.7840	0.554	3	98.4845	3.273	33	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,5a]	3:4:4:1:	4:3:4:1:	3:4:3:	C[5,5a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,5a]-3:C[5,6]-4:N[5a]-3:	C[5,6](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,5a]C[6]H)(C[5]C[5,5a]O)(C[6]C[6]HH)(H)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6]C[5,6]C[6]H)(N[5a]C[5a,6a]C)	C[5,6](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,5a]C[6]H)(C[5]C[5,5a]O)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,3|H<1>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6]C[5,6]C[6]H)(N[5a]C[5a,6a]C){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	100.8280	0.000	1	100.8280	0.000	1	100.8280	0.000	1	100.8280	0.000	1	98.4845	3.273	33	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,5a]	3:4:4:1:	4:4:3:1:	3:4:3:	C[5,5a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,5a]-3:C[5,6]-4:N[5a]-3:	C[5,6](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5]N[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,5a]C[6]H)(C[5]C[5,5a]HS)(N[6]C[6]C)(H)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6]C[5,6]C[6]H)(N[5a]C[5a,6a]S)	C[5,6](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5]N[6]H)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,2|S<4>,3|H<1>}	C[5,6](C[5,6]C[5,5a]C[6]H)(C[5]C[5,5a]HS)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6]C[5,6]C[6]H)(N[5a]C[5a,6a]S){1|C<4>,1|N<3>,1|S<4>,2|C<3>,4|H<1>}	98.6489	0.000	1	98.6489	0.000	1	98.6489	0.000	1	98.6489	0.000	1	98.4845	3.273	33	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,5a]	3:4:4:4:	4:4:4:1:	3:3:4:	C[5,5a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	N[5,5a]-3:C[5,5a]-3:C[5,6]-4:	C[5,6](C[5,5a]C[5,5a]N[5,5a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5a]HH)(H)	C[5,5a](N[5,5a]C[5,5a,6a]C[5])(C[5,5a]C[5a,6a]C[5])(C[5,6]C[5,6]C[6]C)	C[5,6](C[5,5a]C[5,5a]N[5,5a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5a]HH)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[5,5a](N[5,5a]C[5,5a,6a]C[5])(C[5,5a]C[5a,6a]C[5])(C[5,6]C[5,6]C[6]C){2|C<3>,3|C<4>,7|H<1>}	98.1278	0.000	2	98.1278	0.000	2	98.1278	0.000	2	98.1278	0.000	2	98.4845	3.273	33	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,5a]	3:4:4:4:	4:4:4:1:	3:4:3:	C[5,5a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,5a]-3:C[5,6]-4:N[5a]-3:	C[5,6](C[5,5a]C[5,5a]N[5a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,5a]HH)(H)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6]C[5,6]C[6]C)(N[5a]C[5a,6a]H)	C[5,6](C[5,5a]C[5,5a]N[5a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,5a]HH)(H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6]C[5,6]C[6]C)(N[5a]C[5a,6a]H){2|C<3>,2|C<4>,5|H<1>}	96.3763	0.000	1	96.3763	0.000	1	96.3303	0.002	3	96.3303	0.002	3	98.4845	3.273	33	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,5a]	3:4:4:4:	4:4:4:1:	3:4:3:	C[5,5a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,5a]-3:C[5,6]-4:N[5a]-3:	C[5,6](C[5,5a]C[5,5a]N[5a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,5a]HH)(H)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6]C[5,6]C[6]C)(N[5a]C[5a,6a]Si)	C[5,6](C[5,5a]C[5,5a]N[5a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|Si<4>,2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,5a]HH)(H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6]C[5,6]C[6]C)(N[5a]C[5a,6a]Si){2|C<3>,2|C<4>,5|H<1>}	96.3073	0.000	2	96.3073	0.000	2	96.3303	0.002	3	96.3303	0.002	3	98.4845	3.273	33	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,5a]	3:4:4:4:	4:4:4:1:	4:3:2:	C[5,5a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,5a]-3:N[5a]-2:	C[5,6](C[5,5a]C[5,5a]N[5a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5a]HH)(H)	C[5,5a](C[5,6]C[5,6]C[6]C)(C[5,5a]N[5a]C[5])(N[5a]N[5a])	C[5,6](C[5,5a]C[5,5a]N[5a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|N<2>,1|N<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5a]HH)(H){1|C<3>,2|C<4>,2|N<2>,5|H<1>}	C[5,5a](C[5,6]C[5,6]C[6]C)(C[5,5a]N[5a]C[5])(N[5a]N[5a]){1|C<3>,2|C<4>,5|H<1>}	98.1583	0.034	4	98.1583	0.001	4	98.1583	0.001	4	98.1583	0.001	4	98.4845	3.273	33	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,5a]	3:4:4:4:	4:4:4:1:	4:3:3:	C[5,5a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,5a]-3:C[5a]-3:	C[5,6](C[5,5a]C[5,5a]C[5a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5a]HH)(H)	C[5,5a](C[5,6]C[5,6]C[6]C)(C[5,5a]N[5a]C[5])(C[5a]N[5a]C)	C[5,6](C[5,5a]C[5,5a]C[5a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|N<2>,1|N<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5a]HH)(H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[5,5a](C[5,6]C[5,6]C[6]C)(C[5,5a]N[5a]C[5])(C[5a]N[5a]C){1|C<3>,2|C<4>,5|H<1>}	98.4540	0.000	1	98.4540	0.000	1	98.4540	0.000	1	97.4104	0.600	14	98.4845	3.273	33	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,5a]	3:4:4:4:	4:4:4:1:	4:3:3:	C[5,5a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,5a]-3:N[5a]-3:	C[5,6](C[5,5a]C[5,5a]N[5a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5a]HH)(H)	C[5,5a](C[5,6]C[5,6]C[6]C)(C[5,5a]C[5a]C[5])(N[5a]N[5a]C)	C[5,6](C[5,5a]C[5,5a]N[5a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|C<3>,1|N<2>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5a]HH)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[5,5a](C[5,6]C[5,6]C[6]C)(C[5,5a]C[5a]C[5])(N[5a]N[5a]C){2|C<4>,6|H<1>}	97.9554	0.000	1	97.9554	0.000	1	97.9554	0.000	1	97.4104	0.600	14	98.4845	3.273	33	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,5a]	3:4:4:4:	4:4:4:1:	4:3:3:	C[5,5a]-3:C[6,6]-4:C[5,6]-4:C-4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,5a]-3:N[5a]-3:	C[5,6](C[5,5a]C[5,5a]N[5a])(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(CH3)	C[5,6](C[5,6]C[5,5a]C[6,6]C)(C[5]C[5,5a]HH)(C[6]C[6]HH)(H)	C[5,5a](C[5,6]C[5,6]C[6,6]C)(C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)	C[5,6](C[5,5a]C[5,5a]N[5a])(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(CH3){1|O<2>,2|C<4>,3|C<3>,7|H<1>}	C[5,6](C[5,6]C[5,5a]C[6,6]C)(C[5]C[5,5a]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[5,5a](C[5,6]C[5,6]C[6,6]C)(C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H){2|C<3>,3|H<1>,4|C<4>}	96.9206	0.000	1	96.9802	0.049	10	97.1000	0.202	11	97.4104	0.600	14	98.4845	3.273	33	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,5a]	3:4:4:4:	4:4:4:1:	4:3:3:	C[5,5a]-3:C[6,6]-4:C[5,6]-4:C-4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,5a]-3:N[5a]-3:	C[5,6](C[5,5a]C[5,5a]N[5a])(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(CH3)	C[5,6](C[5,6]C[5,5a]C[6,6]C)(C[5]C[5,5a]HH)(C[6]C[6]HH)(H)	C[5,5a](C[5,6]C[5,6]C[6,6]C)(C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)	C[5,6](C[5,5a]C[5,5a]N[5a])(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(CH3){2|C<3>,3|C<4>,8|H<1>}	C[5,6](C[5,6]C[5,5a]C[6,6]C)(C[5]C[5,5a]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[5,5a](C[5,6]C[5,6]C[6,6]C)(C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H){2|C<3>,3|H<1>,4|C<4>}	96.9290	0.234	7	96.9802	0.049	10	97.1000	0.202	11	97.4104	0.600	14	98.4845	3.273	33	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,5a]	3:4:4:4:	4:4:4:1:	4:3:3:	C[5,5a]-3:C[6,6]-4:C[5,6]-4:C-4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,5a]-3:N[5a]-3:	C[5,6](C[5,5a]C[5,5a]N[5a])(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(CH3)	C[5,6](C[5,6]C[5,5a]C[6,6]C)(C[5]C[5,5a]HH)(C[6]C[6]HH)(H)	C[5,5a](C[5,6]C[5,6]C[6,6]C)(C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)	C[5,6](C[5,5a]C[5,5a]N[5a])(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(CH3){2|C<4>,3|C<3>,8|H<1>}	C[5,6](C[5,6]C[5,5a]C[6,6]C)(C[5]C[5,5a]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[5,5a](C[5,6]C[5,6]C[6,6]C)(C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H){2|C<3>,3|H<1>,4|C<4>}	97.1895	0.048	2	96.9802	0.049	10	97.1000	0.202	11	97.4104	0.600	14	98.4845	3.273	33	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,5a]	3:4:4:4:	4:4:4:1:	4:3:3:	C[5,5a]-3:C[6,6]-4:C[5,6]-4:C-4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,5a]-3:N[5a]-3:	C[5,6](C[5,5a]C[5,5a]N[5a])(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(CH3)	C[5,6](C[5,6]C[5,5a]C[6,6]C)(C[5]C[5,5a]HO)(C[6]C[6]HH)(H)	C[5,5a](C[5,6]C[5,6]C[6,6]C)(C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)	C[5,6](C[5,5a]C[5,5a]N[5a])(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(CH3){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[5,6](C[5,6]C[5,5a]C[6,6]C)(C[5]C[5,5a]HO)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5,5a](C[5,6]C[5,6]C[6,6]C)(C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	98.2977	0.000	1	98.2977	0.000	1	97.1000	0.202	11	97.4104	0.600	14	98.4845	3.273	33	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,5a]	3:4:4:4:	4:4:4:1:	4:3:3:	C[5,5a]-3:C[6,6]-4:C[5,6]-4:C-4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[5,5a]-3:C[5a]-3:	C[5,6](C[5,5a]N[5,5a]C[5a])(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(CH3)	C[5,6](C[5,6]C[5,5a]C[6,6]C)(C[5]N[5,5a]HH)(C[6]C[6]HH)(H)	C[5,5a](C[5,6]C[5,6]C[6,6]C)(N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)	C[5,6](C[5,5a]N[5,5a]C[5a])(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(CH3){2|C<3>,3|C<4>,8|H<1>}	C[5,6](C[5,6]C[5,5a]C[6,6]C)(C[5]N[5,5a]HH)(C[6]C[6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	C[5,5a](C[5,6]C[5,6]C[6,6]C)(N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H){2|C<3>,3|H<1>,4|C<4>}	99.2360	0.000	1	99.2360	0.000	1	99.2360	0.000	1	97.4104	0.600	14	98.4845	3.273	33	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	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[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]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[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]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[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	103.8280	0.000	1	103.8280	0.000	1	103.8280	0.000	1	102.5832	1.415	4	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	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[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[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[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[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[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,5|H<1>}	100.9630	0.000	1	100.9630	0.000	1	100.9630	0.000	1	102.5832	1.415	4	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	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[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]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[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]C[5])(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]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[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|N<3>,3|C<3>,5|H<1>}	102.7710	0.000	2	102.7710	0.000	2	102.7710	0.000	2	102.5832	1.415	4	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:3:4:1:	4:4:1:1:	3:4:3:	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[6a,6a]-3:C[5,6]-4:C[5,6a]-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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6]C[6a])	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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6]C[6a]){1|N<2>,1|N<3>,2|C<4>,3|H<1>,4|C<3>}	100.7650	0.000	1	100.7650	0.000	1	100.7650	0.000	1	100.7650	0.000	1	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:3:4:1:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[6,6]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,6]C[5,6a]C[6,6]H)(C[5,6]C[5,6a]C[6]H)(H)2	C[5,6a](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5,6]C[5,6]HH)(H){1|C<4>,2|H<1>,6|C<3>}	C[5,6](C[5,6]C[5,6a]C[6,6]H)(C[5,6]C[5,6a]C[6]H)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	99.4721	0.000	1	99.4721	0.000	1	99.4721	0.000	1	99.1396	0.221	2	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:3:4:1:	4:4:1:1:	4:3:3:	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[5,6]-4:C[5,6a]-3: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[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6,6]C[6a])(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[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H){4|H<1>,5|C<3>}	98.8072	0.000	1	98.8072	0.000	1	98.8072	0.000	1	99.1396	0.221	2	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:3:4:1:	4:4:2:1:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5,6]C[5]O[6]H)(H)	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[5,6a](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]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){1|C<4>,1|N<2>,1|N<3>,3|C<3>,3|H<1>}	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[5,6a](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,5|H<1>}	102.0270	0.460	3	102.2970	0.433	4	102.2970	0.433	4	101.7288	1.922	10	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:3:4:1:	4:4:2:1:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5,6]C[5]O[6]H)(H)	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[5,6a](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]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){1|Se<1>,1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	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[5,6a](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,5|H<1>}	103.1070	0.000	1	102.2970	0.433	4	102.2970	0.433	4	101.7288	1.922	10	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:3:4:1:	4:4:2:1:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[5,6]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6,6]C[5])(C[5,6]C[6]O[5]H)(H)	C[5,6](C[5,6]C[5,6a]N[5,6]H)(C[6]C[6,6]HO)(O[5]C[5,6a])(H)	C[5,6a](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6,6]C[5])(C[5,6]C[6]O[5]H)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6a]N[5,6]H)(C[6]C[6,6]HO)(O[5]C[5,6a])(H){2|C<3>,4|C<4>}	C[5,6a](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H){1|C<3>,2|H<1>,4|C<4>}	100.8956	1.383	5	100.8956	1.914	5	100.8956	1.914	5	101.7288	1.922	10	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:3:4:1:	4:4:2:1:	4:3:3:	C[5,6a]-3:N[6,6]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:Se[6]-2:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6,6]C[6,6,6a]C[6])(C[5,6]Se[6]C[5]H)(H)	C[5,6](C[5,6]C[5,6a]N[6,6]H)(C[5]C[5,6a]HH)(Se[6]C[6,6a])(H)	C[5,6a](C[5,6]C[5,6]N[6,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6,6]C[6,6,6a]C[6])(C[5,6]Se[6]C[5]H)(H){4|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]N[6,6]H)(C[5]C[5,6a]HH)(Se[6]C[6,6a])(H){5|C<3>}	C[5,6a](C[5,6]C[5,6]N[6,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Se<2>,3|C<3>,5|H<1>}	103.6220	0.000	1	103.6220	0.000	1	103.6220	0.000	1	101.7288	1.922	10	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	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[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]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[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]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[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	103.4390	0.000	2	103.4390	0.000	2	102.3192	1.377	5	102.3192	1.377	5	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	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[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]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[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]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[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,5|H<1>}	102.5140	0.000	1	102.5140	0.000	1	102.3192	1.377	5	102.3192	1.377	5	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	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[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]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[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]C[5])(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]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[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|N<3>,3|C<3>,5|H<1>}	101.1020	0.000	2	101.1020	0.000	2	102.3192	1.377	5	102.3192	1.377	5	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	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[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]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[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]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[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	102.6610	0.840	2	102.6610	0.706	2	102.6610	0.706	2	102.5073	0.424	3	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	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[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]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[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]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[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	102.2000	0.000	1	102.2000	0.000	1	102.2000	0.000	1	102.5073	0.424	3	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	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[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]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[5,6a](C[5,6]C[6,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]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[5,6a](C[5,6]C[6,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<1>,2|H<1>,5|C<3>}	101.5730	0.000	1	102.1500	0.250	3	102.1500	0.250	3	102.1500	0.250	3	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	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[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]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[5,6a](C[5,6]C[6,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]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[5,6a](C[5,6]C[6,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	102.4385	0.025	2	102.1500	0.250	3	102.1500	0.250	3	102.1500	0.250	3	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	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[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]O)(CH3)	C[5,6](C[5,6]C[5,6a]C[6,6a]C)(O[5]C[5,6a])(C[6]N[6]C)(OH)	C[5,6a](C[5,6]C[6,6a]C[5,6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]O)(CH3){1|N<2>,2|H<1>,5|C<3>}	C[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[5,6a](C[5,6]C[6,6a]C[5,6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	99.4600	0.000	1	99.4600	0.000	1	99.4600	0.000	1	99.4600	0.000	1	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:3:4:4:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5a,6]-3:C[5,6]-4:C-4:	C[5,6]-4:C[5a,6]-3:N[5]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5,6]C[5a,6]N[5]H)(CH3)	C[5,6](C[5,6]C[5,6a]C[5a,6]C)(C[5a,6]C[5a,6]N[5a])(N[5]C[5,6a]C)(H)	C[5,6a](C[5,6]C[5a,6]C[5,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5,6]C[5a,6]N[5]H)(CH3){1|C<4>,2|H<1>,2|N<3>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[5a,6]C)(C[5a,6]C[5a,6]N[5a])(N[5]C[5,6a]C)(H){1|H<1>,6|C<3>}	C[5,6a](C[5,6]C[5a,6]C[5,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	99.0791	0.000	1	99.0791	0.000	1	99.0791	0.000	1	99.1790	0.007	3	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:3:4:4:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[6,6]-3:C[5,6]-4:C-4:	C[5,6]-4:N[5]-3:C[6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5,6]C[6]N[5]H)(CH3)	C[5,6](C[5,6]C[5,6a]C[6,6]C)(N[5]C[5,6a]C)(C[6]C[6]N)(H)	C[5,6a](C[5,6]C[5,6]C[6,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5,6]C[6]N[5]H)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[6,6]C)(N[5]C[5,6a]C)(C[6]C[6]N)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	99.2289	0.000	2	99.2289	0.000	2	99.2289	0.000	2	99.1790	0.007	3	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:3:4:4:	4:3:4:1:	4:3:3:	C[5,6a]-3:C[5a]-3:C[5,6]-4:C[6]-4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5,6]C[6]N[5]H)(C[6]N[6]HH)	C[5,6](C[5,6]C[5,6a]C[5a]C[6])(N[5]C[5,6a]H)(C[6]C[6]HH)(H)	C[5,6a](C[5,6]C[5,6]C[5a]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5,6]C[6]N[5]H)(C[6]N[6]HH){1|C<4>,1|N<3>,5|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6a]C[5a]C[6])(N[5]C[5,6a]H)(C[6]C[6]HH)(H){1|N<3>,4|C<3>,4|H<1>}	C[5,6a](C[5,6]C[5,6]C[5a]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<3>,3|C<3>,5|H<1>}	100.8640	0.000	1	100.8640	0.000	1	100.8640	0.000	1	100.8640	0.000	1	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	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[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(CCHH)	C[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[5,6a](C[5,6]C[6,6a]C[5,6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(CCHH){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[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[5,6a](C[5,6]C[6,6a]C[5,6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	100.7760	0.267	2	100.7760	0.071	2	100.7760	0.071	2	100.7760	0.071	2	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:2:1:	3:4:4:3:	4:3:3:	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[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]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)	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]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>}	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	103.2090	0.000	1	103.2090	0.000	1	103.2090	0.000	1	103.2090	0.000	1	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:2:1:	4:2:4:4:	4:3:3:	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[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]C)(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)	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]C)(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>}	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	100.7110	0.000	1	100.7110	0.000	1	100.7110	0.000	1	100.7110	0.000	1	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:2:1:	4:3:2:1:	3:4:3:	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[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]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)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5,6]C[5,6]O[6]H)(C[6a]N[6a]H)	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>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5,6]C[5,6]O[6]H)(C[6a]N[6a]H){1|Br<1>,4|C<3>}	100.2520	0.000	1	100.2520	0.000	1	100.2520	0.000	1	100.2520	0.000	1	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:2:1:	4:4:4:1:	4:3:3:	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[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(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)	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(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>}	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	103.0040	0.000	1	103.0255	0.016	4	103.0255	0.016	4	104.4940	6.413	6	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:2:1:	4:4:4:1:	4:3:3:	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[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(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)	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(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>}	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	103.1210	0.044	2	103.0255	0.016	4	103.0255	0.016	4	104.4940	6.413	6	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:2:1:	4:4:4:1:	4:3:3:	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[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(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)	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(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>}	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	102.8560	0.000	1	103.0255	0.016	4	103.0255	0.016	4	104.4940	6.413	6	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:2:1:	4:4:4:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:S[6]-2:H-1:	C[5,6]-4:C[6]-4:S[5]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5]H)(S[6]C[5a,6])(H)	C[5,6](C[5,6]C[5,6a]S[6]H)(C[6]C[5a,6]HO)(S[5]C[5,6a]OO)(H)	C[5,6a](C[5,6]C[5,6]S[6]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5]H)(S[6]C[5a,6])(H){1|N<3>,1|O<2>,2|H<1>,2|O<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]S[6]H)(C[6]C[5a,6]HO)(S[5]C[5,6a]OO)(H){4|C<3>}	C[5,6a](C[5,6]C[5,6]S[6]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	105.6790	0.000	1	105.6790	0.000	1	107.4310	6.139	2	104.4940	6.413	6	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:2:1:	4:4:4:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:S[6]-2:H-1:	C[5,6]-4:C[6]-4:S[5]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5]H)(S[6]C[6,6a])(H)	C[5,6](C[5,6]C[5,6a]S[6]H)(C[6]C[6,6a]HO)(S[5]C[5,6a]OO)(H)	C[5,6a](C[5,6]C[5,6]S[6]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5]H)(S[6]C[6,6a])(H){1|O<2>,2|H<1>,2|O<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]S[6]H)(C[6]C[6,6a]HO)(S[5]C[5,6a]OO)(H){4|C<3>}	C[5,6a](C[5,6]C[5,6]S[6]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	109.1830	0.000	1	109.1830	0.000	1	107.4310	6.139	2	104.4940	6.413	6	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:2:1:	4:4:4:3:	4:3:3:	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[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(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)	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(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>}	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	105.4020	0.000	1	105.4020	0.000	1	105.4020	0.000	1	105.4020	0.000	1	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:2:1:	4:4:4:4:	4:3:3:	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[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(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)	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(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>}	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	104.7920	0.000	1	104.7920	0.000	1	104.7920	0.000	1	104.7920	0.000	1	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:2:2:	4:4:3:1:	4:3:3:	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[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(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)	C[5,6a](C[5,6]C[5,6]O[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(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>}	C[5,6a](C[5,6]C[5,6]O[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	104.4765	0.598	2	104.4765	0.357	2	104.4765	0.357	2	104.4765	0.357	2	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:2:4:	4:3:2:1:	4:3:3:	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[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]O[6]H)(O[6]C[6])(CH3)	C[5,6](C[5,6]C[5,6a]O[6]C)(N[5]C[5,6a]C)(O[6]C[6])(H)	C[5,6a](C[5,6]C[5,6]O[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]O[6]H)(O[6]C[6])(CH3){1|C<4>,3|C<3>,3|H<1>}	C[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[5,6a](C[5,6]C[5,6]O[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	101.0450	0.000	1	101.0450	0.000	1	101.0450	0.000	1	101.0450	0.000	1	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:2:4:	4:3:3:1:	4:3:3:	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[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6]H)(O[6]C[6,6])(CH3)	C[5,6](C[5,6]C[5,6a]O[6]C)(N[5]C[5,6a]C)(N[6]N[6,6]S)(H)	C[5,6a](C[5,6]C[5,6]O[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6]H)(O[6]C[6,6])(CH3){1|C<4>,1|N<3>,1|S<4>,2|H<1>,3|C<3>}	C[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>}	C[5,6a](C[5,6]C[5,6]O[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	101.3685	0.759	4	101.3685	0.577	4	101.3685	0.577	4	101.3685	0.577	4	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:2:4:	4:4:2:1:	4:3:3:	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[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(O[6]C[6,6a])(CHHO)	C[5,6](C[5,6]C[5,6a]O[6]C)(C[6]C[6,6a]CH)(O[5]C[5,6a])(H)	C[5,6a](C[5,6]C[5,6]O[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(O[6]C[6,6a])(CHHO){1|C<4>,2|H<1>,4|C<3>}	C[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>}	C[5,6a](C[5,6]C[5,6]O[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	102.0360	0.079	3	102.0683	0.008	4	102.0683	0.008	4	102.0683	0.008	4	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:2:4:	4:4:2:1:	4:3:3:	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[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(O[6]C[6,6a])(CHHO)	C[5,6](C[5,6]C[5,6a]O[6]C)(C[6]C[6,6a]CH)(O[5]C[5,6a])(H)	C[5,6a](C[5,6]C[5,6]O[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(O[6]C[6,6a])(CHHO){1|C<4>,2|H<1>,4|C<3>}	C[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>}	C[5,6a](C[5,6]C[5,6]O[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	102.1650	0.000	1	102.0683	0.008	4	102.0683	0.008	4	102.0683	0.008	4	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:3:1:	3:4:2:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5]H)(C[6]C[6]H)(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)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5]H)(C[6]C[6]H)(H){2|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(H){2|H<1>,5|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){3|C<3>,4|H<1>}	100.7170	0.000	1	100.7170	0.000	1	100.7170	0.000	1	100.7170	0.000	1	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:3:1:	4:3:4:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]HH)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]O)(H){1|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	102.9050	0.000	1	102.9050	0.000	1	102.9050	0.000	1	102.9050	0.000	1	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:3:1:	4:3:4:4:	4:3:3:	C[5,6a]-3:C[5,6]-4:N[6]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(N[6]C[6a]C[6])(H)	C[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]O)(C[6]C[6]HH)(CH3)	C[5,6a](C[5,6]C[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(N[6]C[6a]C[6])(H){1|C<4>,1|O<1>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]O)(C[6]C[6]HH)(CH3){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	103.1720	0.000	1	103.1720	0.000	1	103.1720	0.000	1	103.1720	0.000	1	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:3:1:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)2(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]C[6]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]H)2(H)2{1|Br<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,6|H<1>}	100.4810	0.000	1	100.4810	0.000	1	100.9210	0.224	3	100.9210	0.224	3	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:3:1:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]N[6]O)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)2(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]N[6]O)(H){2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)2(H)2{1|N<3>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,5|H<1>}	101.1410	0.396	2	101.1410	0.157	2	100.9210	0.224	3	100.9210	0.224	3	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:3:1:	4:4:2:1:	3:3:4:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6,6]HO)(C[6]C[6,6a]O)(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]H)(OC)(H)	C[5,6a](C[6a,6a]C[6,6a,6a]C[6a])(C[5,6a]C[5,6,6]C[6,6a])(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6,6]HO)(C[6]C[6,6a]O)(H){1|C<4>,5|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[5,6a](C[6a,6a]C[6,6a,6a]C[6a])(C[5,6a]C[5,6,6]C[6,6a])(C[5,6]C[5,6]C[6]H){1|H<1>,1|O<1>,2|C<4>,2|O<2>,5|C<3>}	103.3235	0.361	2	103.3235	0.131	2	103.3235	0.131	2	103.3235	0.131	2	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:3:1:	4:4:2:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[4,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[4,6]O[5]H)(C[6]N[6]O)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[4,6]C[4,6]C[4]C)(O[5]C[5,6a])(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[4,6]O[5]H)(C[6]N[6]O)(H){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[4,6]C[4,6]C[4]C)(O[5]C[5,6a])(H){1|C<2>,1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	101.3680	0.000	1	100.4955	1.523	2	100.4955	1.523	2	101.4310	2.123	4	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:3:1:	4:4:2:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[4,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[4,6]O[5]H)(C[6]N[6]O)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[4,6]C[4,6]C[4]C)(O[5]C[5,6a])(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[4,6]O[5]H)(C[6]N[6]O)(H){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[4,6]C[4,6]C[4]C)(O[5]C[5,6a])(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	99.6229	0.000	1	100.4955	1.523	2	100.4955	1.523	2	101.4310	2.123	4	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:3:1:	4:4:2:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(H){1|C<4>,1|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(H){1|H<1>,1|N<3>,2|O<1>,6|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	101.5460	0.000	1	101.5460	0.000	1	101.5460	0.000	1	101.4310	2.123	4	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:3:1:	4:4:2:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6]H)(N[5,6]C[5,6]2)(H)	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[5,6a](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6]H)(N[5,6]C[5,6]2)(H){2|C<4>,4|C<3>,5|H<1>}	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[5,6a](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	103.1870	0.000	1	103.1870	0.000	1	103.1870	0.000	1	101.4310	2.123	4	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:3:1:	4:4:2:3:	4:3:3:	C[5,6a]-3:C[5,6]-4:N[6]-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:N-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]N)(N[6]C[6,6a]S)(H)	C[5,6](C[5,6]C[5,6a]N[6]H)(C[6]C[6,6a]CH)(O[5]C[5,6a])(NOO)	C[5,6a](C[5,6]C[5,6]N[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]N)(N[6]C[6,6a]S)(H){1|Cl<1>,1|C<4>,1|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]N[6]H)(C[6]C[6,6a]CH)(O[5]C[5,6a])(NOO){1|S<4>,4|C<3>}	C[5,6a](C[5,6]C[5,6]N[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl){1|C<4>,1|N<3>,1|S<4>,2|C<3>,2|H<1>}	100.0510	0.000	1	100.0510	0.000	1	100.0510	0.000	1	100.0510	0.000	1	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:3:1:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6,6a]C)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]C[6,6a]C)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6,6a]C)(H){3|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]C[6,6a]C)(H){5|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,5|H<1>}	100.4320	0.000	1	100.4320	0.000	1	102.3292	1.181	6	102.3292	1.181	6	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:3:1:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]CH)(C[6]O[6]O)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]CH)(C[6]O[6]O)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	102.1940	0.331	2	102.2707	0.072	3	102.3292	1.181	6	102.3292	1.181	6	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:3:1:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]CH)(C[6]O[6]O)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]CH)(C[6]O[6]O)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	102.4240	0.000	1	102.2707	0.072	3	102.3292	1.181	6	102.3292	1.181	6	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:3:1:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]C[5]H)(C[6]O[6]O)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]C[5]H)(C[6]O[6]O)(H){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	103.3655	0.016	2	103.3655	0.000	2	102.3292	1.181	6	102.3292	1.181	6	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:3:1:	4:4:3:4:	3:4:3:	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[6a,6a]-3:C[5,6]-4:C[5,6a]-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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]P[5])	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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]P[5]){1|C<4>,1|O<1>,2|H<1>,7|C<3>}	108.2705	0.001	2	108.2705	0.000	2	108.2705	0.000	2	108.2705	0.000	2	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:3:1:	4:4:4:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]S)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]O[6]CH)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]S)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]O[6]CH)(H){1|S<4>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,4|H<1>}	102.5250	0.000	1	102.5250	0.000	1	102.5250	0.000	1	102.6017	0.007	4	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:3:1:	4:4:4:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]S)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[6]C[6a]O[6]H)(C[5]C[5,6a]HH)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]S)(H){1|O<2>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[6]C[6a]O[6]H)(C[5]C[5,6a]HH)(H){1|S<4>,5|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,4|H<1>}	102.5880	0.000	1	102.5880	0.000	1	102.5880	0.000	1	102.6017	0.007	4	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:3:1:	4:4:4:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:N[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(N[6]C[6]S)(H)	C[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6]C[6]HH)(H)	C[5,6a](C[5,6]C[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(N[6]C[6]S)(H){1|C<4>,2|C<3>,7|H<1>}	C[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6]C[6]HH)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6]C[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,5|H<1>}	102.7210	0.000	1	102.7210	0.000	1	102.7210	0.000	1	102.6017	0.007	4	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:3:1:	4:4:4:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:N[6]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(N[6]C[6]S)(H)	C[5,6](C[5,6]C[5,6a]N[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(H)	C[5,6a](C[5,6]C[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(N[6]C[6]S)(H){4|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]N[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(H){1|H<1>,1|S<4>,5|C<3>}	C[5,6a](C[5,6]C[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,4|H<1>}	102.5730	0.000	1	102.5730	0.000	1	102.5730	0.000	1	102.6017	0.007	4	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:3:1:	4:4:4:4:	4:3:3:	C[5,6a]-3:C[5,6]-4:N[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(N[6]C[6]C)(H)	C[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6]O[6]CH)(CC[6a]HH)	C[5,6a](C[5,6]C[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6]O[6]CH)(CC[6a]HH){2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){2|C<3>,3|H<1>,4|C<4>}	102.8160	0.000	1	102.8160	0.000	1	102.8260	0.269	4	102.8260	0.269	4	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:3:1:	4:4:4:4:	4:3:3:	C[5,6a]-3:C[5,6]-4:N[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(N[6]C[6]C)(H)	C[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6]O[6]CH)(CC[6a]HH)	C[5,6a](C[5,6]C[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6]O[6]CH)(CC[6a]HH){2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	103.4180	0.000	1	102.7870	0.796	2	102.8260	0.269	4	102.8260	0.269	4	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:3:1:	4:4:4:4:	4:3:3:	C[5,6a]-3:C[5,6]-4:N[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(N[6]C[6]C)(H)	C[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6]O[6]CH)(CC[6a]HH)	C[5,6a](C[5,6]C[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(N[6]C[6]C)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6]O[6]CH)(CC[6a]HH){2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,4|C<4>,4|H<1>}	102.1560	0.000	1	102.7870	0.796	2	102.8260	0.269	4	102.8260	0.269	4	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:3:1:	4:4:4:4:	4:3:3:	C[5,6a]-3:C[5,6]-4:N[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(N[6]C[6]C)(H)	C[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6]O[6]CH)(CH3)	C[5,6a](C[5,6]C[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6]O[6]CH)(CH3){2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,4|C<4>,4|H<1>}	102.9140	0.000	1	102.9140	0.000	1	102.8260	0.269	4	102.8260	0.269	4	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:3:2:	4:3:4:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-3:O-2:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]O)(OH)	C[5,6](C[5,6]C[5,6a]C[6]O)(N[5]C[5,6a]C)(C[6]C[6]HH)(H)	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]O)(OH){1|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]O)(N[5]C[5,6a]C)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	101.4650	0.000	1	101.4650	0.000	1	101.4650	0.000	1	101.4650	0.000	1	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:3:2:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:N[6]-3:O-2:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(OH)	C[5,6](C[5,6]C[5,6a]N[6]O)(C[6]C[6,6a]C[6a]H)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6]C[5,6]N[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(OH){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]N[6]O)(C[6]C[6,6a]C[6a]H)(C[5]C[5,6a]O)(H){1|H<1>,6|C<3>}	C[5,6a](C[5,6]C[5,6]N[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	102.9920	0.000	1	102.9920	0.000	1	102.9920	0.000	1	102.9920	0.000	1	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:3:2:	4:4:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-3:O-2:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6a]C[6])(OH)	C[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]HH)(C[6]C[6a]C[6])(COO)	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6a]C[6])(OH){4|H<1>,6|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]HH)(C[6]C[6a]C[6])(COO){1|H<1>,6|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|H<1>,5|C<3>}	100.9620	0.000	1	100.9620	0.000	1	100.9620	0.000	1	100.9620	0.000	1	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:3:2:	4:4:3:4:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-3:O-2:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6,6a]O)(OH)	C[5,6](C[5,6]C[5,6a]C[6]O)(C[6]C[6,6a]HH)(C[5]C[5,6a]O)(CH3)	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6,6a]O)(OH){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]O)(C[6]C[6,6a]HH)(C[5]C[5,6a]O)(CH3){1|O<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	104.0110	0.000	1	104.0110	0.000	1	104.0110	0.000	1	104.0110	0.000	1	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:3:2:	4:4:4:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-3:O-2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(OC)	C[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]CH)(C[6]C[6]HH)(H)	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(OC){1|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]CH)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	102.1730	0.000	1	102.1730	0.000	1	102.1730	0.000	1	102.1730	0.000	1	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:3:3:	3:4:2:4:	4:3:3:	C[5,6a]-3:C[5,6]-4:N[6]-3:C-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5]C)(N[6]C[6]C)(CNO)	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[5,6a](C[5,6]C[5,6]N[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5]C)(N[6]C[6]C)(CNO){1|H<1>,1|O<1>,4|C<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){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6]C[5,6]N[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	99.9612	0.000	1	99.9612	0.000	1	99.9612	0.000	1	99.9612	0.000	1	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	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[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]H)(C[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[5,6a](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]H)(C[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[5,6a](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|N<3>,4|C<3>,6|H<1>}	102.6540	0.369	3	102.6540	0.136	3	102.6540	0.136	3	102.6540	0.136	3	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:3:3:	4:4:4:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]O)(COO)	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]HH)(C[6]C[6]HH)(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]N[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]O)(COO){1|C<3>,1|C<4>,1|N<2>,7|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]HH)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]N[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	102.1720	0.000	1	102.1720	0.000	1	102.1720	0.000	1	102.1720	0.000	1	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:3:4:	3:4:3:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:N[6]-3:C-4:	C[5a,6]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]N[5]H)(N[6]C[6]O)(CH3)	C[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6a]N[6]C)(N[5]C[5,6a]C)(H)	C[5,6a](C[5,6]C[5,6]N[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]N[5]H)(N[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6a]N[6]C)(N[5]C[5,6a]C)(H){1|H<1>,1|O<2>,5|C<3>}	C[5,6a](C[5,6]C[5,6]N[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	100.6730	0.000	1	100.6730	0.000	1	100.6730	0.000	1	100.6730	0.000	1	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:3:4:	3:4:3:4:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-3:C-4:	C[6,6a]-3:C[5,6]-4:N[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5]C)(C[6]C[6]H)(CH3)	C[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[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5]C)(C[6]C[6]H)(CH3){1|C<4>,2|H<1>,4|C<3>}	C[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[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	101.1590	0.000	1	101.1590	0.000	1	101.1590	0.000	1	101.1590	0.000	1	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:3:4:	4:2:4:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]H)(CCHH)	C[5,6](C[5,6]C[5,6a]C[6]C)(O[5]C[5,6a])(C[6]C[6]HH)(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]C)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]H)(CCHH){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]C)(O[5]C[5,6a])(C[6]C[6]HH)(H){1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]C){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	100.0350	0.000	1	100.0350	0.000	1	100.0350	0.000	1	100.0350	0.000	1	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:3:4:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:C-4:	C[5,6]-4:C[5a,6]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]N[5]H)(C[5,6]C[5,6]C[5])(CH3)	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[5a,6]C[5a,6]N[5a])(N[5]C[5,6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5,6]2C)(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]N[5]H)(C[5,6]C[5,6]C[5])(CH3){1|C<4>,1|O<2>,2|H<1>,2|N<3>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[5a,6]C[5a,6]N[5a])(N[5]C[5,6a]C)(H){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5,6]2C)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	100.1230	0.000	1	100.1230	0.000	1	100.1230	0.000	1	100.1230	0.000	1	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:3:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:N[6]-3:C-4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(N[6]C[6,6a]H)(CH3)	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[5,6a](C[5,6a]C[6a,6a]C[5,6])(C[5,6]C[5,6]N[6]C)(C[6a]N[6a]C)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(N[6]C[6,6a]H)(CH3){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[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[5,6a](C[5,6a]C[6a,6a]C[5,6])(C[5,6]C[5,6]N[6]C)(C[6a]N[6a]C){4|C<3>,4|H<1>}	99.8547	0.000	1	99.8547	0.000	1	99.8547	0.000	1	99.8547	0.000	1	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:3:4:	4:4:2:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]O[5]H)(C[6]C[6]H)(CCHH)	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]O[6]H)(O[5]C[5,6a])(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]O[5]H)(C[6]C[6]H)(CCHH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]O[6]H)(O[5]C[5,6a])(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	100.1030	0.000	1	100.1030	0.000	1	100.1030	0.000	1	100.1030	0.000	1	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	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[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[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[5,6a](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[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[5,6a](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,7|H<1>}	100.6325	0.090	2	100.6325	0.008	2	100.4260	0.202	4	100.4260	0.202	4	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	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[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[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[5,6a](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]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[5,6a](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){2|C<4>,3|C<3>,7|H<1>}	100.2195	0.654	2	100.2195	0.428	2	100.4260	0.202	4	100.4260	0.202	4	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:1:	3:4:2:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5]H)(C[6]O[6]HH)(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)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]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){1|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(H){1|O<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H){2|C<3>,2|O<2>,4|H<1>}	101.5190	0.288	2	101.5190	0.083	2	101.5803	0.084	6	101.5803	0.084	6	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:1:	3:4:2:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5]H)(C[6]O[6]HH)(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)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5]H)(C[6]O[6]HH)(H){1|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(H){1|O<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,5|H<1>}	101.6200	0.402	3	101.6110	0.108	4	101.5803	0.084	6	101.5803	0.084	6	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:1:	3:4:2:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5]H)(C[6]O[6]HH)(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)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5]H)(C[6]O[6]HH)(H){1|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(H){1|O<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){2|C<3>,2|O<2>,4|H<1>}	101.5840	0.000	1	101.6110	0.108	4	101.5803	0.084	6	101.5803	0.084	6	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:1:	3:4:2:3:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:O[5]-2:N-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5]N)(C[6]C[6]HH)(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)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5]N)(C[6]C[6]HH)(H){3|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(NCH){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|N<3>,3|H<1>}	100.7750	0.000	1	100.7750	0.000	1	100.7750	0.000	1	100.7750	0.000	1	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:1:	3:4:3:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5a,6]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]N[5]H)(C[6]C[6,6a]CH)(H)	C[5,6](C[5a,6]C[5a,6,6a]C[5a])(C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]C)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]N[5]H)(C[6]C[6,6a]CH)(H){1|C<4>,6|C<3>}	C[5,6](C[5a,6]C[5a,6,6a]C[5a])(C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]C){2|C<4>,3|C<3>,4|H<1>}	99.3260	0.000	1	99.3260	0.000	1	100.9560	5.314	2	100.9477	2.657	3	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:1:	3:4:3:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5a,6]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]N[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]N[5]H)(C[6]C[6]HH)(H){1|N<3>,3|H<1>,4|C<3>}	C[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(H){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	102.5860	0.000	1	102.5860	0.000	1	100.9560	5.314	2	100.9477	2.657	3	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:1:	3:4:3:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5]H)(C[6]C[6]HH)(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)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5]H)(C[6]C[6]HH)(H){3|H<1>,5|C<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){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,4|H<1>}	100.9310	0.000	1	100.9310	0.000	1	100.9310	0.000	1	100.9477	2.657	3	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:1:	3:4:3:2:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:O-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]O)(C[6]C[6]CH)(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)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]O)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)(OH){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	104.7650	0.000	1	104.7650	0.000	1	104.7650	0.000	1	104.7650	0.000	1	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:1:	3:4:4:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]H)(C[6]C[6a]O[6]H)(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)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]H)(C[6]C[6a]O[6]H)(H){3|H<1>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(H){1|O<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,3|O<2>,4|H<1>}	102.9770	0.000	1	102.9770	0.000	1	102.9770	0.000	1	102.9770	0.000	1	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:1:	4:2:2:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:O[6]-2:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]O[5]O[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(O[6]C[6])(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]O[6a]O)	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>}	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[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]O[6a]O){1|O<2>,2|C<3>,4|H<1>}	100.9910	0.280	2	100.9910	0.078	2	100.9910	0.078	2	100.9910	0.078	2	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:1:	4:2:3:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:C[6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]O)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]CH)(H){2|H<1>,2|O<2>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]O)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){2|C<3>,2|C<4>,4|H<1>}	98.4883	0.019	2	98.4883	0.000	2	99.1312	1.240	3	99.1312	1.240	3	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:1:	4:2:3:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:C[6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]O[6]HH)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]O[6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]O[6]HH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]H)(H){1|O<2>,2|C<3>,3|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]O[6a]O){1|O<2>,2|C<3>,4|H<1>}	100.4170	0.000	1	100.4170	0.000	1	99.1312	1.240	3	99.1312	1.240	3	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:1:	4:2:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:C[6]-3:C-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]O)(CNO)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]C)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]O)(CNO){3|C<3>,3|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|Br<1>,1|S<4>,2|H<1>,4|C<3>}	100.6670	0.000	1	100.6670	0.000	1	100.6670	0.000	1	101.5655	1.615	2	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:1:	4:2:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:C[6]-3:N-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]N)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]O)(NC[6a]H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]C)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]N)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]O)(NC[6a]H){1|C<4>,2|C<3>,4|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]C){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	102.4640	0.000	1	102.4640	0.000	1	102.4640	0.000	1	101.5655	1.615	2	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:1:	4:2:3:4:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:C[6]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]H)(CH3)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]C)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){2|C<4>,3|C<3>,3|H<1>}	100.1935	0.173	2	100.1935	0.030	2	100.1935	0.030	2	100.1935	0.030	2	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:1:	4:2:4:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:C[6]-4:H-1:	C[6a,6a]-3:C[5,6]-4:C[5,6a]-3:	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]O[6]CH)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]O[6]CH)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5]){2|C<4>,3|C<3>,5|H<1>}	101.4090	0.000	1	101.4090	0.000	1	101.4090	0.000	1	101.4090	0.000	1	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:1:	4:2:4:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]HH)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]C)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]CH)(H){2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]C){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	99.9637	0.000	1	99.9637	0.000	1	100.1098	0.043	2	100.1098	0.043	2	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:1:	4:2:4:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]O[6]CH)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]O[6]CH)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	100.2560	0.000	1	100.2560	0.000	1	100.1098	0.043	2	100.1098	0.043	2	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:1:	4:2:4:2:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:C[4]-4:O[6]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[4]O[5]O[6])(C[6]C[6]HH)(H)	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[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]C)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[4]O[5]O[6])(C[6]C[6]HH)(H){1|O<2>,2|H<1>,3|C<3>,3|C<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]){2|C<3>,2|C<4>,8|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]C){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	102.4460	0.000	1	102.4460	0.000	1	102.4460	0.000	1	102.4460	0.000	1	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:1:	4:2:4:4:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:O[5]-2:C[6]-4:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]HO)(CHHO)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]C)(C[6]C[6]HH)(H){2|H<1>,2|O<2>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]HO)(CHHO){3|C<3>,3|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|Br<1>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	101.8210	0.000	1	101.8210	0.000	1	101.8210	0.000	1	101.8210	0.000	1	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:1:	4:3:2:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:Cl-1:	C[5,6]-4:N[5]-3:O[6]-2:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]O[6]H)(C[6]N[6]HH)(Cl)	C[5,6](C[5,6]C[5,6a]C[6]Cl)(N[5]C[5,6a]S)(O[6]C[6])(H)	C[5,6a](C[5,6]C[5,6]C[6]Cl)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]O[6]H)(C[6]N[6]HH)(Cl){1|H<1>,1|S<4>,3|C<3>}	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[5,6a](C[5,6]C[5,6]C[6]Cl)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,1|S<4>,5|H<1>}	102.7550	0.515	2	102.7550	0.265	2	102.7550	0.265	2	102.5960	0.208	3	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:1:	4:3:2:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-3:O[5]-2:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]O[5]H)(C[6]C[6,6a]CH)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(N[6]C[6,6a]N)(O[5]C[5,6a])(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]O[5]H)(C[6]C[6,6a]CH)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)(N[6]C[6,6a]N)(O[5]C[5,6a])(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|N<3>,3|H<1>}	102.2780	0.000	1	102.2780	0.000	1	102.2780	0.000	1	102.5960	0.208	3	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:1:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:N[5]-3:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5,6]C[6]N[5]H)(H)	C[5,6](C[5,6]C[5,6a]C[5,6]H)(N[5]C[5,6a]H)(C[6]C[6]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5,6]2H)(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5,6]C[6]N[5]H)(H){2|C<4>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6a]C[5,6]H)(N[5]C[5,6a]H)(C[6]C[6]C)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5,6]2H)(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	101.3600	0.000	1	101.3600	0.000	1	101.3600	0.000	1	101.3600	0.000	1	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:1:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:N[5]-3:C[6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]N[5]H)(H)	C[5,6](C[5,6]C[5,6a]C[6,6]H)(N[5]C[5,6a]H)(C[6]C[6]H)(H)	C[5,6a](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]N[5]H)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6a]C[6,6]H)(N[5]C[5,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	102.1150	0.000	1	102.1150	0.000	1	102.1150	0.000	1	102.1150	0.000	1	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:1:	4:3:3:3:	3:4:3:	C[5,6a]-3:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]2)(C[5,6]C[5]2N[6])(H)	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2H)(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]2)(C[5,6]C[5]2N[6])(H){2|O<1>,4|H<1>,8|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5,6a]O){1|C<4>,1|O<2>,2|N<3>,8|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2H)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	102.8095	0.704	2	102.8095	0.495	2	102.8095	0.495	2	102.8095	0.495	2	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:1:	4:3:4:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[6a,6a]-3:C[5,6]-4:C[5,6a]-3:	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)(C[6]C[6]CH)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)(C[6]C[6]CH)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5]){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	103.9560	0.462	2	103.9560	0.214	2	103.9560	0.214	2	103.9560	0.214	2	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:1:	4:3:4:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]HH)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|I<1>,2|C<3>,3|C<4>,3|H<1>}	101.7180	0.000	1	101.7180	0.000	1	101.4200	0.636	8	101.4200	0.636	8	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:1:	4:3:4:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]S)(C[6]C[6]HH)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]HH)(H){1|C<4>,1|S<4>,2|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]S)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,5|H<1>}	101.1028	1.036	4	101.1028	1.072	4	101.4200	0.636	8	101.4200	0.636	8	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:1:	4:3:4:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]HP)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]HH)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]HP)(H){1|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]HH)(H){1|C<4>,1|P<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>,4|C<4>}	101.5025	0.288	2	101.7437	0.216	3	101.4200	0.636	8	101.4200	0.636	8	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:1:	4:3:4:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]HP)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]HH)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]HP)(H){1|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]HH)(H){1|C<4>,1|P<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|P<4>,3|C<4>}	102.2260	0.000	1	101.7437	0.216	3	101.4200	0.636	8	101.4200	0.636	8	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:1:	4:3:4:2:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C[6]-4:O-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]N)(C[6]C[6]HH)(OC)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]N)(C[6]C[6]HH)(OC){1|C<4>,2|C<3>,4|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,2|C<4>,4|H<1>}	102.5360	0.000	1	102.5360	0.000	1	102.5360	0.000	1	102.5360	0.000	1	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:1:	4:3:4:3:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C[6]-4:C-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)(C[6]C[6]CH)(CCO)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)(C[6]C[6]CH)(CCO){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	103.9360	0.000	1	103.9360	0.000	1	103.9360	0.000	1	103.9360	0.000	1	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6,6a])(C[5,6]C[5,6]HH)(C[6]C[6,6]HH)(H)	C[5,6](C[5,6]C[5,6a]C[6,6]O)(C[5,6]C[5,6a]C[6]H)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6,6a]C[6,6a]C[6])(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6a]C[5,6a]C[6,6a])(C[5,6]C[5,6]HH)(C[6]C[6,6]HH)(H){1|H<1>,1|N<4>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5,6a]C[6,6]O)(C[5,6]C[5,6a]C[6]H)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6,6a]C[6,6a]C[6])(C[5,6]C[5,6]C[6]H){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	100.3010	0.000	1	100.3010	0.000	1	100.3010	0.000	1	100.2030	0.019	2	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[6a,6a]-3:C[5,6]-4:	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]HH)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5,6]C[5,6a]C[6]H)(H)2	C[5,6a](C[5,6a]C[6a,6a]C[5,6])(C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]HH)(C[6]C[6]HH)(H){2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5,6]C[5,6a]C[6]H)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6])(C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]H){3|C<4>,4|C<3>,5|H<1>}	100.1050	0.000	1	100.1050	0.000	1	100.1050	0.000	1	100.2030	0.019	2	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:1:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]C[6,6]HH)(H)	C[5,6](C[5,6]C[5,6a]C[6,6]H)(C[5,6]C[5,6a]C[6]H)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]C[6,6]HH)(H){2|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[6,6]H)(C[5,6]C[5,6a]C[6]H)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,7|H<1>}	100.1430	0.000	1	100.1430	0.000	1	100.7048	0.366	6	100.7048	0.366	6	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:1:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]C[6]BrH)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)2(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]C[6]BrH)(H){1|Br<1>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)2(H)2{1|Br<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H){1|Br<1>,3|C<3>,6|H<1>}	100.6410	0.000	1	100.6410	0.000	1	100.7048	0.366	6	100.7048	0.366	6	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:1:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]N[6]HH)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)2(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]C)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]N[6]HH)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)2(H)2{1|N<3>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]C){1|C<3>,1|C<4>,1|F<1>,1|N<3>,6|H<1>}	101.4440	0.000	1	101.4440	0.000	1	100.7048	0.366	6	100.7048	0.366	6	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:1:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]N[6]HH)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)2(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]N[6]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)2(H)2{1|N<3>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|N<3>,6|H<1>}	100.3020	0.402	2	100.6670	0.480	3	100.7048	0.366	6	100.7048	0.366	6	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:1:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]N[6]HH)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)2(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]N[6]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)2(H)2{1|N<3>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H){1|C<3>,1|F<1>,1|N<3>,2|C<4>,5|H<1>}	101.3970	0.000	1	100.6670	0.480	3	100.7048	0.366	6	100.7048	0.366	6	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:1:	4:4:2:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]O[5]H)(C[6]C[6,6]HO)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[6,6]C[6,6]C[6]O)(O[5]C[5,6a])(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]O[5]H)(C[6]C[6,6]HO)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[6,6]C[6,6]C[6]O)(O[5]C[5,6a])(H){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	100.5900	0.000	1	100.5900	0.000	1	100.5900	0.000	1	100.5900	0.000	1	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:1:	4:4:2:4:	3:4:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[3,6]-4:O[5]-2:C-4:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[3,6]O[5]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[3,6]C[3,6]O[3]H)(O[5]C[5,6a])(CH3)	C[5,6a](C[5,6a]C[6,6a]O[5])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[3,6]O[5]C)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[3,6]C[3,6]O[3]H)(O[5]C[5,6a])(CH3){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6,6a]O[5])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]O){2|C<3>,2|H<1>,4|C<4>}	101.0960	0.000	1	101.0960	0.000	1	101.0960	0.000	1	101.0960	0.000	1	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:1:	4:4:2:4:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[3,6]-4:O[5]-2:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[3,6]O[5]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[3,6]C[3,6]O[3]H)(O[5]C[5,6a])(CH3)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[3,6]O[5]C)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[3,6]C[3,6]O[3]H)(O[5]C[5,6a])(CH3){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){2|C<3>,3|C<4>,3|H<1>}	100.6977	0.256	3	100.6977	0.066	3	100.6977	0.066	3	100.6977	0.066	3	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:1:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[4x6]HH)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[6]C[3x6]CC)(N[5]C[5,6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[4x6]HH)(H){1|N<3>,2|H<1>,3|C<3>,3|C<4>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[6]C[3x6]CC)(N[5]C[5,6a]H)(H){2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,6|H<1>}	102.3290	0.000	2	102.3290	0.000	2	102.3290	0.000	2	102.3290	0.000	2	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:1:	4:4:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]C[6]H)(CNO)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]C[6]H)(CNO){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,5|H<1>}	102.8670	0.000	1	102.8670	0.000	1	102.6215	0.121	2	102.6215	0.121	2	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:1:	4:4:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]C[6]H)(COO)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(H){1|O<2>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]C[6]H)(COO){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,6|H<1>}	102.3760	0.000	1	102.3760	0.000	1	102.6215	0.121	2	102.6215	0.121	2	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:1:	4:4:3:4:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]C)(C[6]N[5,6]CC)(H)	C[5,6](C[5,6]C[5,6a]O[5,6]H)(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]N)(CH3)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]C)(C[6]N[5,6]CC)(H){1|N<2>,1|O<2>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]O[5,6]H)(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]N)(CH3){1|N<3>,2|C<4>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,5|C<4>}	103.2925	0.491	2	103.2925	0.242	2	103.2925	0.242	2	103.2925	0.242	2	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:1:	4:4:4:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]CC)(C[6]C[6]HH)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|C<3>,4|C<4>,5|H<1>}	101.2840	0.000	1	101.2840	0.000	1	102.4548	0.550	5	102.4548	0.550	5	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:1:	4:4:4:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]C[6]C)(C[6]C[6]HH)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,5|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,1|C<3>,3|C<4>,5|H<1>}	102.7475	0.403	4	102.7475	0.162	4	102.4548	0.550	5	102.4548	0.550	5	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:1:	4:4:4:4:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]C)(C[6]N[5,6]CC)(H)	C[5,6](C[5,6]C[5,6a]O[5,6]H)(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HN)(CH3)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]C)(C[6]N[5,6]CC)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]O[5,6]H)(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HN)(CH3){1|N<3>,2|C<4>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|N<3>,3|H<1>,4|C<4>}	103.3710	0.000	1	103.3710	0.000	1	103.3710	0.000	1	103.3710	0.000	1	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:2:	4:2:4:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-2:	C[5,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(CN)	C[5,6](C[5,6]C[5,6a]C[6]C)(O[5]C[5,6a])(C[6]C[6]HH)(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(CN){3|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]C)(O[5]C[5,6a])(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|C<4>,4|H<1>}	101.1210	0.000	1	101.1210	0.000	1	101.1210	0.000	1	101.1210	0.000	1	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:2:	4:3:4:4:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]CH)(OH)	C[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]O)(C[6]C[6]HH)(CH3)	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]CH)(OH){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]O)(C[6]C[6]HH)(CH3){1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	102.7125	0.029	2	102.7125	0.001	2	102.7125	0.001	2	102.7125	0.001	2	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:2:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:O-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]C[6]HH)(OH)	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5,6]C[5,6a]C[6]O)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]O)(C[6a]C[6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]C[6]HH)(OH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5,6]C[5,6a]C[6]O)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]O)(C[6a]C[6a]O){1|Br<1>,2|C<3>,3|C<4>,4|H<1>}	100.1340	0.000	1	100.1340	0.000	1	100.1340	0.000	1	100.0070	0.032	2	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:2:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[6,6]-4:C[5,6]-4:O-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(OH)	C[5,6](C[5,6]C[5,6a]C[6,6]O)(C[5,6]C[5,6a]C[6]H)(H)2	C[5,6a](C[5,6a]C[6,6a]C[5,6])(C[5,6]C[5,6]C[6,6]O)(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(OH){1|N<4>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6a]C[6,6]O)(C[5,6]C[5,6a]C[6]H)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6,6a]C[5,6])(C[5,6]C[5,6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	99.8801	0.000	1	99.8801	0.000	1	99.8801	0.000	1	100.0070	0.032	2	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:2:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:O-2:	C[5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6]C[5,6]HH)(OH)	C[5,6](C[5,6]C[5,6a]C[6]O)(C[5,6]O[5,6]C[5]H)(N[5]C[5,6a]S)(H)	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6]C[5,6]HH)(OH){1|O<2>,1|S<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]O)(C[5,6]O[5,6]C[5]H)(N[5]C[5,6a]S)(H){1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|S<4>,2|C<4>,4|H<1>}	102.2770	0.000	1	102.2770	0.000	1	102.2770	0.000	1	102.7133	0.169	7	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:2:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[6,6]-4:C[5,6]-4:O-2:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(OH)	C[5,6](C[5,6]C[5,6a]C[6,6]O)(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6]C[5,6]C[6,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(OH){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6a]C[6,6]O)(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O)(H){2|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6]C[5,6]C[6,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	102.9650	0.595	2	102.7860	0.158	6	102.7860	0.158	6	102.7133	0.169	7	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:2:	4:4:3:1:	4:3:3:	C[5,6a]-3:C[6,6]-4:C[5,6]-4:O-2:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(OH)	C[5,6](C[5,6]C[5,6a]C[6,6]O)(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6]C[5,6]C[6,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(OH){1|C<4>,1|N<3>,2|O<1>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6a]C[6,6]O)(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O)(H){2|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6]C[5,6]C[6,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	102.6965	0.338	4	102.7860	0.158	6	102.7860	0.158	6	102.7133	0.169	7	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:2:	4:4:3:4:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:O-2:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(OH)	C[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]HH)(C[6]C[6]O)(CH3)	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(OH){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]HH)(C[6]C[6]O)(CH3){1|C<4>,2|C<3>,4|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,6|H<1>}	101.4890	0.000	1	101.4890	0.000	1	101.4890	0.000	1	101.4890	0.000	1	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:3:	3:4:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:C-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5]C)(C[6]O[6]HH)(CHO)	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[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5]C)(C[6]O[6]HH)(CHO){2|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]H)(CCH){1|O<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,5|H<1>}	101.6420	0.000	1	102.1475	0.511	2	102.1475	0.511	2	102.1475	0.511	2	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:3:	3:4:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:C-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5]C)(C[6]O[6]HH)(CHO)	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[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5]C)(C[6]O[6]HH)(CHO){2|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]H)(CCH){1|O<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|Br<1>,1|O<2>,3|C<3>,3|H<1>}	102.6530	0.000	1	102.1475	0.511	2	102.1475	0.511	2	102.1475	0.511	2	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:3:	4:2:4:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]HO)(CCO)	C[5,6](C[5,6]C[5,6a]C[6]C)(O[5]C[5,6a])(C[6]C[6]HH)(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]HO)(CCO){3|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]C)(O[5]C[5,6a])(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	100.7290	0.000	1	100.7290	0.000	1	100.7290	0.000	1	100.7290	0.000	1	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:3:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:N-3:	C[5,6]-4:N[5]-3:C[6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6a]C[6]H)(NOO)	C[5,6](C[5,6]C[5,6a]C[6]N)(N[5]C[5,6a]S)(C[6]C[6]C)(H)	C[5,6a](C[5,6]C[5,6]C[6]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6a]C[6]H)(NOO){1|S<4>,3|H<1>,6|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]N)(N[5]C[5,6a]S)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	103.4890	0.750	2	103.4890	0.562	2	103.4890	0.562	2	103.4890	0.562	2	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:3:	4:3:4:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:N-3:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]CH)(NOO)	C[5,6](C[5,6]C[5,6a]C[6]N)(N[5]C[5,6a]S)(C[6]C[6]HH)(H)	C[5,6a](C[5,6]C[5,6]C[6]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]CH)(NOO){1|S<4>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]N)(N[5]C[5,6a]S)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|S<4>,3|C<4>,4|H<1>}	102.6340	0.000	1	102.6340	0.000	1	103.4165	1.225	2	103.4165	1.225	2	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:3:	4:3:4:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:N-3:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]HO)(NOO)	C[5,6](C[5,6]C[5,6a]C[6]N)(N[5]C[5,6a]S)(C[6]C[6]HH)(H)	C[5,6a](C[5,6]C[5,6]C[6]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]HO)(NOO){1|S<4>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]N)(N[5]C[5,6a]S)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,1|S<4>,2|C<4>,3|H<1>}	104.1990	0.000	1	104.1990	0.000	1	103.4165	1.225	2	103.4165	1.225	2	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:3:	4:3:4:3:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:N-3:	C[5,6]-4:N[5]-3:C[6]-4:N-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]N)(C[6]C[6]HH)(NHH)	C[5,6](C[5,6]C[5,6a]C[6]N)(N[5]C[5,6a]S)(C[6]C[6]HH)(NHH)	C[5,6a](C[5,6]C[5,6]C[6]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]N)(C[6]C[6]HH)(NHH){1|C<4>,1|S<4>,2|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]N)(N[5]C[5,6a]S)(C[6]C[6]HH)(NHH){1|C<4>,2|C<3>,4|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|S<4>,2|C<4>,4|H<1>}	102.1930	0.000	1	102.1930	0.000	1	102.1930	0.000	1	102.1930	0.000	1	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:4:	3:4:4:4:	3:4:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6a,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[6]C)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[6]C)(C[6]C[6]HH)(CH3)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]C[6]C)(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[6]C)(C[6]C[6]HH)(CH3){1|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[6]C)(C[6]C[6]HH)(CH3){1|C<4>,3|C<3>,5|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]C[6]C)(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	102.5895	0.142	2	102.5895	0.020	2	102.5895	0.020	2	102.5895	0.020	2	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:4:	4:2:3:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:S[5]-2:C[6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,6a]C[6]C)(S[5]C[5,6a])(C[6]C[6]O)(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5]H)(C[6]C[6]HH)(CH3){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]C)(S[5]C[5,6a])(C[6]C[6]O)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	104.9840	0.000	1	103.6575	3.519	2	103.6575	3.519	2	103.6575	3.519	2	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:4:	4:2:3:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:S[5]-2:C[6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,6a]C[6]C)(S[5]C[5,6a])(C[6]C[6]O)(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5]H)(C[6]C[6]HH)(CH3){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]C)(S[5]C[5,6a])(C[6]C[6]O)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	102.3310	0.000	1	103.6575	3.519	2	103.6575	3.519	2	103.6575	3.519	2	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:4:	4:2:4:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(CCHO)	C[5,6](C[5,6]C[5,6a]C[6]C)(O[5]C[5,6a])(C[6]C[6]HH)(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]C)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(CCHO){2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]C)(O[5]C[5,6a])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]C){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	100.4270	0.306	4	100.4270	0.094	4	100.4270	0.094	4	100.4270	0.094	4	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:4:	4:3:2:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:N[5]-3:O[6]-2:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]O[6]H)(C[6]C[6]HH)(CCHH)	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(O[6]N[6])(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]O[6]H)(C[6]C[6]HH)(CCHH){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[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[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<2>,2|C<3>,4|H<1>}	102.7210	0.000	1	102.7970	0.012	2	102.8370	0.011	3	102.8370	0.011	3	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:4:	4:3:2:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:N[5]-3:O[6]-2:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]O[6]H)(C[6]C[6]HH)(CCHH)	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(O[6]N[6])(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]O[6]H)(C[6]C[6]HH)(CCHH){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[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[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	102.8730	0.000	1	102.7970	0.012	2	102.8370	0.011	3	102.8370	0.011	3	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:4:	4:3:2:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:N[5]-3:O[6]-2:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]O[6]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(O[6]N[6])(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]O[6]H)(C[6]C[6]HH)(CH3){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[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[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	102.9170	0.000	1	102.9170	0.000	1	102.8370	0.011	3	102.8370	0.011	3	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:4:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]2)(C[5,6]N[5]N[6]H)(CCHH)	C[5,6](C[5,6]C[5,6a]C[5,6]C)(N[5]C[5,6a]C)(N[6]C[6,6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5,6]2C)(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]2)(C[5,6]N[5]N[6]H)(CCHH){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6a]C[5,6]C)(N[5]C[5,6a]C)(N[6]C[6,6a]H)(H){1|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5,6]2C)(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	100.7000	0.000	1	100.7000	0.000	1	100.7000	0.000	1	100.7000	0.000	1	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:4:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6]H)(C[6]C[6,6a]CH)(CCHH)	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(N[6]C[6,6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]C)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6]H)(C[6]C[6,6a]CH)(CCHH){1|H<1>,2|C<4>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(N[6]C[6,6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]C){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	99.0105	0.000	1	99.0105	0.000	1	100.7914	1.731	4	100.7914	1.731	4	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:4:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6]H)(C[6]C[6,6a]CH)(CCHH)	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(N[6]C[6,6a]S)(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6]H)(C[6]C[6,6a]CH)(CCHH){1|Br<1>,1|S<4>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(N[6]C[6,6a]S)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br){1|N<3>,4|C<3>,4|H<1>}	101.4890	0.000	1	101.4890	0.000	1	100.7914	1.731	4	100.7914	1.731	4	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:4:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6]H)(C[6]C[6,6a]CH)(CCHH)	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]H)(N[6]C[6,6a]S)(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6]H)(C[6]C[6,6a]CH)(CCHH){1|Br<1>,1|H<1>,1|S<4>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]H)(N[6]C[6,6a]S)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br){1|N<3>,3|C<3>,5|H<1>}	100.6450	0.000	1	100.6450	0.000	1	100.7914	1.731	4	100.7914	1.731	4	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:4:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6]H)(C[6]C[6,6a]HH)(CCHH)	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(N[6]C[6,6a]S)(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]C)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6]H)(C[6]C[6,6a]HH)(CCHH){1|S<4>,2|C<4>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(N[6]C[6,6a]S)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]C){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	102.0210	0.000	1	102.0210	0.000	1	100.7914	1.731	4	100.7914	1.731	4	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:4:	4:3:4:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:C[6]-4:	C[5,6]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[6]C[6]HH)2	C[5,6](C[5,6]C[5,6a]C[6]2)(N[5,6]C[5,6a]C[6])(C[6]C[6]HH)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5,6]C[5,6]C[6]2)(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[6]C[6]HH)2{2|C<4>,3|C<3>,7|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]2)(N[5,6]C[5,6a]C[6])(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|C<4>,5|H<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5,6]C[5,6]C[6]2)(C[6a]C[6a]H){1|C<3>,4|C<4>,7|H<1>}	100.2620	0.000	1	100.2620	0.000	1	100.2620	0.000	1	100.2620	0.000	1	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:4:	4:3:4:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]O)(C[6]C[6]CC)(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]O)(C[6]C[6]CC)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	103.4320	0.000	1	103.4320	0.000	1	103.4320	0.000	1	101.1289	2.903	6	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:4:	4:3:4:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]CH)(CH3)	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(C[6]C[6]ClH)(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]CH)(CH3){1|Cl<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(C[6]C[6]ClH)(H){1|C<2>,1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|C<3>,3|C<4>,4|H<1>}	99.9337	0.000	1	99.9337	0.000	1	100.7998	3.949	3	101.1289	2.903	6	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:4:	4:3:4:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]ClH)(CH3)	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(C[6]C[6]CH)(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]ClH)(CH3){1|C<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(C[6]C[6]CH)(H){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,3|C<4>,4|H<1>}	99.3928	0.000	1	99.3928	0.000	1	100.7998	3.949	3	101.1289	2.903	6	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:4:	4:3:4:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]HO)(CH3)	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]S)(C[6]C[6]CH)(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]HO)(CH3){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]S)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,1|S<4>,2|C<4>,4|H<1>}	103.0730	0.000	1	103.0730	0.000	1	100.7998	3.949	3	101.1289	2.903	6	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:4:	4:3:4:1:	4:3:3:	C[5,6a]-3:C[6,6]-4:C[5,6]-4:C-4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[5,6]C[6]N[5]H)(CH3)	C[5,6](C[5,6]C[5,6a]C[6,6]C)(N[5]C[5,6a]C)(C[6]C[6]CC)(H)	C[5,6a](C[5,6]C[5,6]C[6,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[5,6]C[6]N[5]H)(CH3){1|Cl<1>,1|H<1>,4|C<3>,4|C<4>}	C[5,6](C[5,6]C[5,6a]C[6,6]C)(N[5]C[5,6a]C)(C[6]C[6]CC)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6a](C[5,6]C[5,6]C[6,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	100.7170	0.000	1	100.7170	0.000	1	100.4710	0.121	2	101.1289	2.903	6	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:4:	4:3:4:1:	4:3:3:	C[5,6a]-3:C[6,6]-4:C[5,6]-4:C-4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[5,6]C[6]N[5]H)(CH3)	C[5,6](C[5,6]C[5,6a]C[6,6]C)(N[5]C[5,6a]C)(C[6]C[6]CC)(H)	C[5,6a](C[5,6]C[5,6]C[6,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[5,6]C[6]N[5]H)(CH3){2|H<1>,4|C<3>,4|C<4>}	C[5,6](C[5,6]C[5,6a]C[6,6]C)(N[5]C[5,6a]C)(C[6]C[6]CC)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6a](C[5,6]C[5,6]C[6,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	100.2250	0.000	1	100.2250	0.000	1	100.4710	0.121	2	101.1289	2.903	6	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[6a,6a]-3:C[5,6]-4:	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]HH)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5,6]C[5,6a]C[6]H)(H)2	C[5,6a](C[5,6a]C[6a,6a]C[5,6])(C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]C)	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]HH)(C[6]C[6]HH)(CH3){1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5,6]C[5,6a]C[6]H)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6])(C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]C){2|C<4>,4|C<3>,6|H<1>}	99.7840	0.000	1	99.7840	0.000	1	99.7840	0.000	1	99.7840	0.000	1	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5,6]C[5,6a]C[6]O)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]C)(C[6a]C[6a]Br)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]C[6]HH)(CH3){1|Br<1>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5,6]C[5,6a]C[6]O)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]C)(C[6a]C[6a]Br){1|C<3>,2|C<4>,3|O<2>,4|H<1>}	100.1140	0.000	1	100.1140	0.000	1	100.1140	0.000	1	100.1140	0.000	1	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:4:	4:4:4:1:	4:3:2:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6a]-3:N[6a]-2:	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6a]HH)(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(N[6a]C[6a])	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6a]HH)(H){1|N<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<4>,6|H<1>}	99.6908	0.000	1	99.6428	0.005	2	99.6428	0.005	2	99.6428	0.005	2	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:4:	4:4:4:1:	4:3:2:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6a]-3:N[6a]-2:	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6a]HH)(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(N[6a]C[6a])	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6a]HH)(H){1|N<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(N[6a]C[6a]){2|C<3>,2|C<4>,6|H<1>}	99.5948	0.000	1	99.6428	0.005	2	99.6428	0.005	2	99.6428	0.005	2	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:4:	4:4:4:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]CH)(C[6]C[6]CC)(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]CH)(C[6]C[6]CC)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	99.8017	0.000	1	99.8017	0.000	1	99.7610	0.003	2	100.4814	2.333	4	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:4:	4:4:4:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]HO)(C[6]C[6]CC)(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]HO)(C[6]C[6]CC)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	99.7203	0.000	1	99.7203	0.000	1	99.7610	0.003	2	100.4814	2.333	4	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:4:	4:4:4:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(H){2|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|C<3>,3|C<4>,6|H<1>}	102.7700	0.000	1	102.7700	0.000	1	101.2018	4.919	2	100.4814	2.333	4	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:4:	4:4:4:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HO)(CH3)	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HO)(CH3){2|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	99.6336	0.000	1	99.6336	0.000	1	101.2018	4.919	2	100.4814	2.333	4	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	3:4:4:4:	4:4:4:4:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6,6]-4:C[5]-4:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6a]HH)(CH3)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]O[6a]C[5])(C[6a]C[6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6a]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]O[6a]C[5])(C[6a]C[6a]O){1|C<3>,3|C<4>,5|H<1>}	100.9435	0.173	2	100.9435	0.030	2	100.9435	0.030	2	100.9435	0.030	2	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	4:3:3:1:	3:4:3:1:	3:4:3:	C[5,6]-4:C[5,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[5,6a]-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)	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[5,6a](C[5,6a]C[5,6a]N[5])(C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])	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[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[5,6a](C[5,6a]C[5,6a]N[5])(C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5]){1|S<4>,2|C<4>,3|H<1>,4|C<3>}	101.3580	0.000	1	101.3580	0.000	1	101.3580	0.000	1	101.3580	0.000	1	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	4:3:3:1:	3:4:4:3:	4:3:3:	C[5,6]-4:C[5,6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-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)	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[5,6a](C[5,6]C[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[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[5,6a](C[5,6]C[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	103.1190	0.000	1	103.1190	0.000	1	103.1190	0.000	1	103.1190	0.000	1	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	4:3:3:3:	4:3:3:3:	4:3:3:	C[5,6]-4:C[5,6a]-3:N[5,6]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:N[5,6]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5,6a]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5]N[5]O)	C[5,6](C[5,6]C[5,6a]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5]N[5]O)	C[5,6a](C[5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,4|C<3>,4|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6a]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,4|C<3>,4|H<1>,5|C<4>}	C[5,6a](C[5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	114.1200	0.000	1	114.1200	0.000	1	114.1200	0.000	1	114.1200	0.000	1	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	4:3:3:4:	3:4:4:1:	4:3:3:	C[5,6]-4:C[5,6a]-3:N[6]-3:C-4:	C[6,6a]-3:C[5,6]-4:C[5]-4:Br-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6]C[6,6a]C[5]Br)(C[5,6a]C[5,6a]C[6a])(N[6]C[6]C)(CH3)	C[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[5,6a](C[5,6]C[5,6]N[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[5,6](C[5,6]C[6,6a]C[5]Br)(C[5,6a]C[5,6a]C[6a])(N[6]C[6]C)(CH3){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[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[5,6a](C[5,6]C[5,6]N[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|Br<1>,1|C<4>,2|H<1>,2|O<2>,3|C<3>}	99.9762	0.000	1	99.9762	0.000	1	99.9762	0.000	1	99.9762	0.000	1	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	4:3:4:1:	4:3:2:3:	3:4:3:	C[5,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6a]-3:O[5]-2:N[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	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[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[5,6a](C[5,6a]C[6a,6a]O[5])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]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){4|H<1>,5|C<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){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	102.0510	0.000	1	102.0510	0.000	1	102.0510	0.000	1	102.0510	0.000	1	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	4:3:4:1:	4:3:3:3:	4:3:3:	C[5,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[5,6]-4:N[5]-3:C[6a]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6]C[6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H)	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[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H){1|O<1>,1|S<4>,2|H<1>,5|C<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){5|C<3>,5|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|S<4>,4|C<3>,4|H<1>}	103.4385	0.378	2	103.4385	0.143	2	103.4385	0.143	2	103.4385	0.143	2	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	4:3:4:1:	4:3:4:1:	4:3:3:	C[6,6]-4:C[5,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[6,6]C[6,6a]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(H)	C[5,6](C[5,6]C[5,6a]C[6,6]H)(C[5]C[5,6a]O)(C[6]C[6]HH)(H)	C[5,6a](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[6,6]C[6,6a]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6,6]H)(C[5]C[5,6a]O)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	104.7010	0.000	1	104.7010	0.000	1	104.7010	0.000	1	104.7010	0.000	1	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	4:3:4:1:	4:4:3:1:	4:3:3:	C[5,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H){1|Br<1>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	102.7810	0.100	2	102.7810	0.010	2	102.7810	0.010	2	102.7810	0.010	2	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	4:3:4:4:	4:3:3:2:	4:3:3:	C[5,6]-4:C[5,6a]-3:C[6]-4:C-4:	C[5,6]-4:N[5]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6]C[6a]N[5]O[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(CH3)	C[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[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[6a]N[5]O[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>,4|C<3>}	C[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[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	102.3960	0.000	1	102.3960	0.000	1	102.3960	0.000	1	102.3960	0.000	1	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	4:3:4:4:	4:3:3:4:	4:3:3:	C[5,6]-4:C[5,6a]-3:C[6]-4:C-4:	C[5,6]-4:N[5]-3:C[6a]-3:C[6]-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6]C[6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(CH3)	C[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[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(CH3){1|C<4>,4|H<1>,5|C<3>}	C[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[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	100.9190	0.000	1	100.9190	0.000	1	100.9190	0.000	1	100.9190	0.000	1	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6a]	4:3:4:4:	4:4:4:1:	3:4:3:	C[5,6]-4:C[5,6a]-3:C[6]-4:C-4:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[5,6a]-3:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6a]C[5,6a]2)(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(H)	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6a]C[5,6a]2)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(H){2|C<3>,3|C<4>,5|H<1>}	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5]){1|C<3>,2|O<2>,3|C<4>,5|H<1>}	101.1220	0.000	1	101.1220	0.000	1	101.1220	0.000	1	101.1220	0.000	1	101.8764	3.144	243	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5]	C[5,6,6a]	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[5,6a]-3:C[6,6a]-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[5,6,6a](C[5,6]C[6,6a]C[5]O)(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	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[5,6,6a](C[5,6]C[6,6a]C[5]O)(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|O<1>,3|H<1>,4|C<3>}	98.6769	0.172	2	98.6769	0.029	2	98.6769	0.029	2	98.6769	0.029	2	101.2474	4.873	20	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5]	C[5,6,6a]	3:3:4:2:	4:4:1:1:	3:4:3:	C[5,6,6a]-3:C[6,6]-3:C[5]-4:O-2:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6,6a]-3:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[5]C[5,6]HH)(OC)	C[5](C[5,6]C[5,6,6a]C[6,6]O)(C[5,6]C[5,6a]C[6]2)(H)2	C[5,6,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[6,6]C[5]O)(C[6,6a]C[6a]C[6])	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[5]C[5,6]HH)(OC){1|C<4>,2|O<2>,6|C<3>}	C[5](C[5,6]C[5,6,6a]C[6,6]O)(C[5,6]C[5,6a]C[6]2)(H)2{4|C<3>,5|C<4>}	C[5,6,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[6,6]C[5]O)(C[6,6a]C[6a]C[6]){1|O<1>,2|C<4>,2|H<1>,2|O<2>,3|C<3>}	103.2050	0.000	1	103.2050	0.000	1	103.2050	0.000	1	103.2050	0.000	1	101.2474	4.873	20	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5]	C[5,6,6a]	3:4:3:4:	4:2:1:1:	3:3:4:	C[5,6,6a]-3:C[5]-4:N[6]-3:C-4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]O[5]HH)(N[6]C[6]H)(CH3)	C[5](C[5,6]C[5,6,6a]N[6]C)(O[5]C[5,6a])(H)2	C[5,6,6a](C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]N[6]C)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]O[5]HH)(N[6]C[6]H)(CH3){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5,6]C[5,6,6a]N[6]C)(O[5]C[5,6a])(H)2{1|H<1>,3|C<3>}	C[5,6,6a](C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]N[6]C){1|C<4>,2|C<3>,6|H<1>}	98.5832	0.259	3	98.5832	0.067	3	98.7998	0.136	5	98.7998	0.136	5	101.2474	4.873	20	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5]	C[5,6,6a]	3:4:3:4:	4:2:1:1:	3:3:4:	C[5,6,6a]-3:C[5]-4:N[6]-3:C-4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]O[5]HH)(N[6]C[6]O)(CH3)	C[5](C[5,6]C[5,6,6a]N[6]C)(O[5]C[5,6a])(H)2	C[5,6,6a](C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]N[6]C)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]O[5]HH)(N[6]C[6]O)(CH3){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5,6]C[5,6,6a]N[6]C)(O[5]C[5,6a])(H)2{1|O<2>,3|C<3>}	C[5,6,6a](C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]N[6]C){1|Cl<1>,1|O<2>,2|C<3>,5|H<1>}	98.9518	0.000	1	99.1246	0.060	2	98.7998	0.136	5	98.7998	0.136	5	101.2474	4.873	20	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5]	C[5,6,6a]	3:4:3:4:	4:2:1:1:	3:3:4:	C[5,6,6a]-3:C[5]-4:N[6]-3:C-4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]O[5]HH)(N[6]C[6]O)(CH3)	C[5](C[5,6]C[5,6,6a]N[6]C)(O[5]C[5,6a])(H)2	C[5,6,6a](C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]N[6]C)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]O[5]HH)(N[6]C[6]O)(CH3){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5,6]C[5,6,6a]N[6]C)(O[5]C[5,6a])(H)2{1|O<2>,3|C<3>}	C[5,6,6a](C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]N[6]C){1|O<2>,2|C<3>,6|H<1>}	99.2974	0.000	1	99.1246	0.060	2	98.7998	0.136	5	98.7998	0.136	5	101.2474	4.873	20	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5]	C[5,6,6a]	3:4:4:1:	4:2:1:1:	3:3:4:	C[5,6,6a]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:S[5]-2:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]S[5]HH)(C[6]O[6]CH)(H)	C[5](C[5,6]C[5,6,6a]C[6]H)(S[5]C[5,6a])(H)2	C[5,6,6a](C[5,6a]C[6a]S[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]S[5]HH)(C[6]O[6]CH)(H){3|C<3>}	C[5](C[5,6]C[5,6,6a]C[6]H)(S[5]C[5,6a])(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6,6a](C[5,6a]C[6a]S[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]H){1|C<4>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	107.0870	0.000	1	107.0870	0.000	1	107.0870	0.000	1	107.0870	0.000	1	101.2474	4.873	20	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5]	C[5,6,6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[5,6,6a]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[6,6a]-3:C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6,6a]C[6]H)(N[5]C[5,6a]C)(H)2	C[5,6,6a](C[6,6a]C[3,6]C[6a])(C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|C<3>}	C[5](C[5,6]C[5,6,6a]C[6]H)(N[5]C[5,6a]C)(H)2{2|H<1>,3|C<3>}	C[5,6,6a](C[6,6a]C[3,6]C[6a])(C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]H){2|C<4>,3|C<3>,6|H<1>}	102.8960	0.000	1	102.8960	0.000	1	102.8960	0.000	1	102.8960	0.000	1	101.2474	4.873	20	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5]	C[5,6,6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5,6,6a]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]HH)(H)2	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]O[6])(C[5,6]C[5]C[6]H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]O[6])(C[5,6]C[5]C[6]H){1|Br<1>,1|C<3>,2|C<4>,6|H<1>}	102.9460	0.000	1	102.9460	0.000	1	102.2365	1.007	2	102.2365	1.007	2	101.2474	4.873	20	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5]	C[5,6,6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5,6,6a]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]C[6a]H)(H)2	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,2|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[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]H){1|C<4>,1|O<2>,3|C<3>,7|H<1>}	101.5270	0.000	1	101.5270	0.000	1	102.2365	1.007	2	102.2365	1.007	2	101.2474	4.873	20	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5]	C[5,6,6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[5,6,6a]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(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[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]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){1|C<4>,3|H<1>,5|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[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]H){1|C<4>,5|C<3>,6|H<1>}	102.1420	0.000	1	102.1420	0.000	1	102.1420	0.000	1	102.1420	0.000	1	101.2474	4.873	20	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5]	C[5,6,6a]	3:4:4:1:	4:4:4:1:	3:3:4:	C[5,6,6a]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[6,6a]-3:C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[4x6]HO)(C[5]C[5]CH)(H)	C[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]HH)(CH3)(H)	C[5,6,6a](C[6,6a]C[3x6]C[6a])(C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[4x6]HO)(C[5]C[5]CH)(H){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]HH)(CH3)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6,6a](C[6,6a]C[3x6]C[6a])(C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]H){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	101.4060	0.000	1	101.4060	0.000	1	101.4060	0.000	1	101.4060	0.000	1	101.2474	4.873	20	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5]	C[5,6,6a]	3:4:4:1:	4:4:4:1:	4:3:3:	C[5,6,6a]-3:C[3x6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[4x6]O[6,6]H)(C[5]C[5]CH)(H)	C[5](C[5,6]C[5,6,6a]C[3x6]H)(C[5]C[5,6a]HH)(CH3)(H)	C[5,6,6a](C[5,6]C[3x6]C[5]H)(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[3x6]C[4x6]O[6,6]H)(C[5]C[5]CH)(H){2|H<1>,3|C<3>,3|C<4>}	C[5](C[5,6]C[5,6,6a]C[3x6]H)(C[5]C[5,6a]HH)(CH3)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6,6a](C[5,6]C[3x6]C[5]H)(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6]){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	102.2500	0.000	1	102.2500	0.000	1	102.2500	0.000	1	102.2500	0.000	1	101.2474	4.873	20	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5]	C[5,6,6a]	3:4:4:2:	4:4:1:1:	3:4:3:	C[5,6,6a]-3:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5,6a]-3:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5,6,6]C[5]H)(C[5]C[5]HH)(OH)	C[5](C[5,6]C[5,6,6a]C[5,6]O)(C[5]C[5,6a]HH)(H)2	C[5,6,6a](C[6,6a]N[6,6]C[6a])(C[5,6]C[5,6]C[5]O)(C[5,6a]C[6a]C[5])	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5,6,6]C[5]H)(C[5]C[5]HH)(OH){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6,6a]C[5,6]O)(C[5]C[5,6a]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5,6,6a](C[6,6a]N[6,6]C[6a])(C[5,6]C[5,6]C[5]O)(C[5,6a]C[6a]C[5]){1|C<4>,3|C<3>,7|H<1>}	102.4910	0.000	1	102.4910	0.000	1	102.4910	0.000	1	102.4910	0.000	1	101.2474	4.873	20	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5]	C[5,6,6a]	3:4:4:3:	4:3:1:1:	3:3:4:	C[5,6,6a]-3:C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]HH)(COO)	C[5](C[5,6]C[5,6,6a]C[6]C)(C[5]C[5,6a]O)(H)2	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]C)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]HH)(COO){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6,6a]C[6]C)(C[5]C[5,6a]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]C){1|C<3>,1|C<4>,1|O<1>,8|H<1>}	102.0340	0.000	1	102.0340	0.000	1	102.0340	0.000	1	102.0340	0.000	1	101.2474	4.873	20	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5]	C[5,6,6a]	3:4:4:4:	4:3:1:1:	3:3:4:	C[5,6,6a]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,6,6a]C[6]C)(C[5]C[5,6a]O)(H)2	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]C)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,6]C[5,6,6a]C[6]C)(C[5]C[5,6a]O)(H)2{2|H<1>,3|C<3>}	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]C){1|O<1>,3|C<3>,6|H<1>}	101.8325	0.231	2	101.8325	0.053	2	101.8325	0.053	2	101.8325	0.053	2	101.2474	4.873	20	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5]	C[5,6,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6,6a]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,6,6a]C[6]C)(C[5]C[5,6a]C[6a]H)(H)2	C[5,6,6a](C[5,6a]C[6,6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]C)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<4>,3|C<3>,3|H<1>}	C[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[5,6,6a](C[5,6a]C[6,6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]C){2|C<3>,4|C<4>,6|H<1>}	101.9460	0.000	1	101.9460	0.000	1	101.9460	0.000	1	101.9460	0.000	1	101.2474	4.873	20	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5]	C[5,6a]	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[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(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[5,6a](C[5,6]C[6,6a]C[5]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[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[5,6a](C[5,6]C[6,6a]C[5]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,6|H<1>}	102.0770	0.000	1	102.0770	0.000	1	102.0770	0.000	1	102.0770	0.000	1	101.2996	3.290	27	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5]	C[5,6a]	3:3:4:3:	4:3:3:1:	3:4:3:	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[5,6a,6a]-3:C[5,6]-4: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[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[6,6a]C[5]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[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[6,6a]C[5]C[6])(C[6a]C[6a]H){3|H<1>,7|C<3>}	102.3580	0.407	2	102.3580	0.166	2	102.3580	0.166	2	102.3580	0.166	2	101.2996	3.290	27	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5]	C[5,6a]	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[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]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[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(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]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[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]C){2|C<4>,3|H<1>,5|C<3>}	98.8573	0.000	1	98.8573	0.000	1	98.8573	0.000	1	98.8573	0.000	1	101.2996	3.290	27	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5]	C[5,6a]	3:3:4:3:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[6]-3:C[5]-4:C[6]-3:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6])(C[5]C[5]HH)(C[6]C[6]H)	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]CH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[5,6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6])(C[5]C[5]HH)(C[6]C[6]H){4|H<1>,6|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]CH)(H)2{1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[5,6a]H){1|O<2>,5|C<3>,5|H<1>}	101.4070	0.000	1	101.4070	0.000	1	101.4070	0.000	1	101.4070	0.000	1	101.2996	3.290	27	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5]	C[5,6a]	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[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]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[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[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[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,4|C<3>,5|H<1>}	100.3860	0.000	1	100.3860	0.000	1	100.3860	0.000	1	100.3860	0.000	1	101.2996	3.290	27	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5]	C[5,6a]	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[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]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[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[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[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,5|C<3>,5|H<1>}	101.5660	0.000	1	101.5660	0.000	1	101.5660	0.000	1	101.5660	0.000	1	101.2996	3.290	27	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5]	C[5,6a]	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[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[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[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[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[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){4|C<3>,6|H<1>}	99.7489	0.122	2	99.7489	0.015	2	99.7489	0.015	2	99.7489	0.015	2	101.2996	3.290	27	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5]	C[5,6a]	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[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]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[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[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[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,4|C<3>,6|H<1>}	101.4675	0.462	2	101.4675	0.213	2	101.4675	0.213	2	101.4675	0.213	2	101.2996	3.290	27	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5]	C[5,6a]	3:3:4:4:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[6]-3:C[5]-4:C[6]-4:	C[5,6]-4:N[5]-3:N-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6])(C[5]N[5]HN)(C[6]C[6]HH)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(NCH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6])(C[5]N[5]HN)(C[6]C[6]HH){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(NCH)(H){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	99.8270	0.089	2	99.8270	0.008	2	99.8270	0.008	2	99.8270	0.008	2	101.2996	3.290	27	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5]	C[5,6a]	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[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]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[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[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[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){5|C<3>,7|H<1>}	101.5840	0.000	1	101.5840	0.000	1	101.5840	0.000	1	101.5840	0.000	1	101.2996	3.290	27	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5]	C[5,6a]	3:4:3:3:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6]-3:C[6]-3:	C[5,6]-4:P[5]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(C[6]C[6]O)2	C[5](C[5,6]C[5,6a]C[6]2)(P[5]C[5,6a]C[6a]B)(H)2	C[5,6a](C[5,6a]C[6a]P[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(C[6]C[6]O)2{1|B<4>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(P[5]C[5,6a]C[6a]B)(H)2{2|O<2>,6|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|B<4>,2|O<2>,4|C<3>,4|H<1>}	107.1680	0.000	1	107.1680	0.000	1	107.1680	0.000	1	107.1680	0.000	1	101.2996	3.290	27	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5]	C[5,6a]	3:4:3:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6]-3:C[6]-3:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[6]C[6]O)2	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]HH)(CCC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[6]C[6]O)2{1|C<4>,2|C<3>,7|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]HH)(CCC)(H){2|C<3>,2|C<4>,2|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|O<1>,5|H<1>}	103.4650	0.000	1	103.4650	0.000	1	103.4750	0.000	2	103.4750	0.000	2	101.2996	3.290	27	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5]	C[5,6a]	3:4:3:3:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6]-3:C[6]-3:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[6]C[6]O)2	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]HH)(CClC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[6]C[6]O)2{1|C<4>,2|C<3>,7|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]HH)(CClC)(H){2|C<3>,2|C<4>,2|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|O<1>,5|H<1>}	103.4850	0.000	1	103.4850	0.000	1	103.4750	0.000	2	103.4750	0.000	2	101.2996	3.290	27	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5]	C[5,6a]	3:4:4:2:	4:3:2:2:	4:3:3:	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[5,6a]-3:C[6a]-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	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]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>}	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,2|N<2>,3|C<3>,4|H<1>}	101.7200	0.000	1	101.7200	0.000	1	101.7200	0.000	1	101.7200	0.000	1	101.2996	3.290	27	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5]	C[5,6a]	3:4:4:3:	4:2:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6]-4:C[6]-3:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(C[6]C[6]HH)(C[6]C[6]H)	C[5](C[5,6]C[5,6a]C[6]2)(O[5]C[5,6a])(H)2	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(C[6]C[6]HH)(C[6]C[6]H){1|H<1>,3|C<4>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(O[5]C[5,6a])(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|N<2>,2|C<4>,5|H<1>}	98.2990	0.000	1	98.2990	0.000	1	98.2990	0.000	1	98.2990	0.000	1	101.2996	3.290	27	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5]	C[5,6a]	3:4:4:3:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH)(C[6]C[6]CC)(C[6]C[6]C)	C[5](C[5,6]C[5,6,6a]C[6,6]O)(C[5,6]C[5,6a]C[6]2)(H)2	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6]C[5]C[6]2)(C[6a]C[6a]O)	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH)(C[6]C[6]CC)(C[6]C[6]C){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6,6a]C[6,6]O)(C[5,6]C[5,6a]C[6]2)(H)2{4|C<3>,5|C<4>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6]C[5]C[6]2)(C[6a]C[6a]O){1|O<2>,3|H<1>,4|C<3>,4|C<4>}	101.4290	0.000	1	101.4290	0.000	1	101.4290	0.000	1	101.4290	0.000	1	101.2996	3.290	27	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5]	C[5,6a]	3:4:4:4:	4:2:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(C[6]C[6]HH)2	C[5](C[5,6]C[5,6a]C[6]2)(O[5]C[5,6a])(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]C)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(C[6]C[6]HH)2{2|N<3>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(O[5]C[5,6a])(H)2{2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]C){1|C<3>,2|C<4>,8|H<1>}	99.4617	0.000	1	99.4617	0.000	1	99.4617	0.000	1	99.4617	0.000	1	101.2996	3.290	27	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5]	C[5,6a]	3:4:4:4:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HH)2	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HH)2{1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]O)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,8|H<1>}	102.3240	0.000	1	102.3240	0.000	1	102.3240	0.000	1	102.4870	0.053	2	101.2996	3.290	27	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5]	C[5,6a]	3:4:4:4:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(C[6]C[6]HH)2	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(C[6]C[6]HH)2{1|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(H)2{1|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,7|H<1>}	102.6500	0.000	1	102.6500	0.000	1	102.6500	0.000	1	102.4870	0.053	2	101.2996	3.290	27	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5]	C[5,6a]	3:4:4:4:	4:3:2:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:N[5]-3:C-2:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(C[6]C[6]HH)2	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(CN)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(C[6]C[6]HH)2{1|C<4>,2|C<3>,6|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(CN)(H){2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Cl<1>,1|C<2>,1|C<3>,2|C<4>,7|H<1>}	99.0398	0.000	1	99.0398	0.000	1	99.0398	0.000	1	99.0398	0.000	1	101.2996	3.290	27	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HH)2	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]CH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]CH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,3|C<4>,8|H<1>}	101.2190	0.000	1	101.2190	0.000	1	101.2190	0.000	1	101.1223	0.792	3	101.2996	3.290	27	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6]-4:C[6]-4:	C[5,6]-4:N[5]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(C[6]C[6]CH)(C[6]C[6]HH){1|N<4>,2|C<3>,7|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){2|C<3>,2|C<4>,9|H<1>}	100.1880	0.000	1	100.1880	0.000	1	100.1880	0.000	1	101.1223	0.792	3	101.2996	3.290	27	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5,6]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[6]-4:C[5]-4:C[6]-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]HH)(H)2{1|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]O){10|H<1>,1|C<4>,2|C<3>}	101.9600	0.000	1	101.9600	0.000	1	101.9600	0.000	1	101.1223	0.792	3	101.2996	3.290	27	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[3x5]	C[5,5a]	3:4:1:1:	4:4:4:4:	3:3:4:	C[5,5a]-3:C[3x5]-4:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:C[5]-4:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(C[3x5]C[5,5]2C[5])(H)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[5,5a](C[5,5a]C[5a,6a]C[5,5])(N[5a]C[5a,6a]S)(C[5]C[3x5]HH)	C[5](C[5,5a]C[5,5a]N[5a])(C[3x5]C[5,5]2C[5])(H)2{1|C<4>,1|O<2>,1|S<4>,3|H<1>,5|C<3>}	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[5,5a](C[5,5a]C[5a,6a]C[5,5])(N[5a]C[5a,6a]S)(C[5]C[3x5]HH){2|C<4>,4|C<3>}	100.9190	0.000	1	100.9190	0.000	1	100.9190	0.000	1	100.9190	0.000	1	100.9190	0.000	1	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[3x5]	C[5,6a]	4:3:1:1:	3:4:4:3:	3:4:3:	C[3x5]-4:C[5,6a]-3:H-1:H-1:	N[5,5]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[3x5]C[5,5]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(H)2	C[3x5](N[5,5]C[5,6a]C[5])(C[5,5]C[5]N[5]H)(C[5]C[5,6a]HH)(C[5]C[5]O)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[3x5]HH)(C[6a]C[6a]H)	C[5](C[3x5]C[5,5]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[3x5](N[5,5]C[5,6a]C[5])(C[5,5]C[5]N[5]H)(C[5]C[5,6a]HH)(C[5]C[5]O){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[3x5]HH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	103.0670	0.000	1	102.9310	0.037	2	102.9310	0.037	2	102.9310	0.037	2	103.6623	0.801	7	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[3x5]	C[5,6a]	4:3:1:1:	3:4:4:3:	3:4:3:	C[3x5]-4:C[5,6a]-3:H-1:H-1:	N[5,5]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[3x5]C[5,5]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(H)2	C[3x5](N[5,5]C[5,6a]C[5])(C[5,5]C[5]N[5]H)(C[5]C[5,6a]HH)(C[5]C[5]O)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[3x5]HH)(C[6a]C[6a]H)	C[5](C[3x5]C[5,5]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[3x5](N[5,5]C[5,6a]C[5])(C[5,5]C[5]N[5]H)(C[5]C[5,6a]HH)(C[5]C[5]O){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[3x5]HH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	102.7950	0.000	1	102.9310	0.037	2	102.9310	0.037	2	102.9310	0.037	2	103.6623	0.801	7	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[3x5]	C[5,6a]	4:3:1:1:	4:3:4:3:	3:4:3:	C[3x5]-4:C[5,6a]-3:H-1:H-1:	C[5,5]-4:N[5,5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[3x5]C[5,5]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(H)2	C[3x5](C[5,5]C[5,5]N[5]H)(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,5]O)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[3x5]HH)(C[6a]C[6a]H)	C[5](C[3x5]C[5,5]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[3x5](C[5,5]C[5,5]N[5]H)(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,5]O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[3x5]HH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	103.2190	0.000	1	103.2190	0.000	1	103.2190	0.000	1	103.2190	0.000	1	103.6623	0.801	7	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[3x5]	C[5,6a]	4:3:1:1:	4:4:4:3:	3:4:3:	C[3x5]-4:C[5,6a]-3:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[3x5]C[5,5,6]2C[5])(C[5,6a]C[5,6a]C[6a])(H)2	C[3x5](C[5,5,6]C[5,6]2H)2(C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3x5]HH)(C[6a]C[6a]H)	C[5](C[3x5]C[5,5,6]2C[5])(C[5,6a]C[5,6a]C[6a])(H)2{1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[3x5](C[5,5,6]C[5,6]2H)2(C[5]C[5,6a]HH)(C[5]C[5,6a]O){2|C<3>,8|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3x5]HH)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	104.1388	0.931	4	104.1388	0.866	4	104.1388	0.866	4	104.1388	0.866	4	103.6623	0.801	7	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,3x6]	C[5,6a]	4:3:1:1:	3:4:3:2:	3:4:3:	C[5,3x6]-4:C[5,6a]-3:H-1:H-1:	N[5,6,6]-3:C[5]-4:C[6,6]-3:S[6,6]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,3x6](N[5,6,6]C[5,6a]C[6,6])(C[5]C[5,6a]HH)(C[6,6]N[6,6]O)(S[6,6]S[6,6])	C[5,6a](C[5,6a]N[5,6,6]C[6a])(C[5]C[5,3x6]HH)(C[6a]C[6a]H)	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,1|N<3>,1|O<1>,1|S<2>,3|C<3>}	C[5,3x6](N[5,6,6]C[5,6a]C[6,6])(C[5]C[5,6a]HH)(C[6,6]N[6,6]O)(S[6,6]S[6,6]){1|O<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]N[5,6,6]C[6a])(C[5]C[5,3x6]HH)(C[6a]C[6a]H){1|S<2>,2|H<1>,3|C<3>}	105.4680	0.000	1	105.4680	0.000	1	105.4680	0.000	1	105.4680	0.000	1	105.4680	0.000	1	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5,6,6]	C[5,5a]	4:3:1:1:	4:3:4:4:	3:4:3:	C[5,5,6,6]-4:C[5,5a]-3:H-1:H-1:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-4:C[5]-4:	C[5,5a]-3:C[5]-4:N[5a]-3:	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5,5a]C[5,5a]N[5a])(H)2	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,5a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2H)(C[5]C[5,5a]HH)	C[5,5a](C[5,5a]C[5,5,6,6]C[5a,6a])(C[5]C[5,5,6,6]HH)(N[5a]C[5a,6a]S)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5,5a]C[5,5a]N[5a])(H)2{1|C<4>,1|H<1>,1|S<4>,7|C<3>}	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,5a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2H)(C[5]C[5,5a]HH){1|H<1>,1|N<3>,9|C<3>}	C[5,5a](C[5,5a]C[5,5,6,6]C[5a,6a])(C[5]C[5,5,6,6]HH)(N[5a]C[5a,6a]S){2|C<4>,4|C<3>}	102.3440	0.000	1	102.3440	0.000	1	102.3885	0.004	2	102.3885	0.004	2	102.3885	0.004	2	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5,6,6]	C[5,5a]	4:3:1:1:	4:3:4:4:	3:4:3:	C[5,5,6,6]-4:C[5,5a]-3:H-1:H-1:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-4:C[5]-4:	C[5,5a]-3:C[5]-4:N[5a]-3:	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5,5a]C[5,5a]N[5a])(H)2	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,5a])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]2H)(C[5]C[5,5a]HH)	C[5,5a](C[5,5a]C[5,5,6,6]C[5a,6a])(C[5]C[5,5,6,6]HH)(N[5a]C[5a,6a]S)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5,5a]C[5,5a]N[5a])(H)2{1|C<4>,1|H<1>,1|S<4>,7|C<3>}	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,5a])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]2H)(C[5]C[5,5a]HH){1|H<1>,1|N<3>,9|C<3>}	C[5,5a](C[5,5a]C[5,5,6,6]C[5a,6a])(C[5]C[5,5,6,6]HH)(N[5a]C[5a,6a]S){2|C<4>,4|C<3>}	102.4330	0.000	1	102.4330	0.000	1	102.3885	0.004	2	102.3885	0.004	2	102.3885	0.004	2	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5,6]	C[5,6a]	3:4:2:1:	4:4:4:1:	3:4:3:	C[5,6a]-3:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(OC)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]HO)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]HO)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(OC)(H){2|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]HO)(H){1|C<4>,2|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]HO)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	104.8020	0.000	1	104.8020	0.000	1	104.4233	0.197	3	104.4233	0.197	3	103.3684	0.856	18	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5,6]	C[5,6a]	3:4:2:1:	4:4:4:1:	3:4:3:	C[5,6a]-3:C[5,5,6]-4:O-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(OH)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]HO)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]HO)(C[6a]C[5a,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(OH)(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]HO)(H){3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]HO)(C[6a]C[5a,6a]O){2|C<3>,2|C<4>,3|H<1>}	104.2340	0.423	2	104.2340	0.179	2	104.4233	0.197	3	104.4233	0.197	3	103.3684	0.856	18	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5,6]	C[5,6a]	3:4:3:1:	4:4:4:1:	3:4:2:	C[5,6a]-3:C[5,5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:O[6a]-2:	C[5](C[5,6a]C[5,6a]O[6a])(C[5,5,6]C[5,5,6]2H)(CC[6a]O)(H)	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5,6a]H)(C[5]C[5,6a]CH)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]CH)(O[6a]C[6a,6a])	C[5](C[5,6a]C[5,6a]O[6a])(C[5,5,6]C[5,5,6]2H)(CC[6a]O)(H){2|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5,6a]H)(C[5]C[5,6a]CH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]CH)(O[6a]C[6a,6a]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	102.5962	0.142	4	102.5962	0.020	4	102.9529	0.487	8	102.9529	0.487	8	103.3684	0.856	18	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5,6]	C[5,6a]	3:4:3:1:	4:4:4:1:	3:4:2:	C[5,6a]-3:C[5,5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:O[6a]-2:	C[5](C[5,6a]C[5,6a]O[6a])(C[5,5,6]C[5,5,6]2H)(COO)(H)	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5,6a]H)(C[5]C[5,6a]CH)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]CH)(O[6a]C[6a,6a])	C[5](C[5,6a]C[5,6a]O[6a])(C[5,5,6]C[5,5,6]2H)(COO)(H){2|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5,6a]H)(C[5]C[5,6a]CH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]CH)(O[6a]C[6a,6a]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	103.3095	0.882	4	103.3095	0.777	4	102.9529	0.487	8	102.9529	0.487	8	103.3684	0.856	18	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5,6]	C[5,6a]	4:3:1:1:	4:4:4:2:	3:4:3:	C[5,5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:O[6]-2:	C[5,6a]-3:C[5]-4:C[6a]-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	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[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]HH)(C[6a]C[6a]H)	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>}	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[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]HH)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>,3|O<2>}	103.5490	1.337	4	103.5490	1.788	4	103.4212	1.422	5	103.4212	1.422	5	103.3684	0.856	18	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5,6]	C[5,6a]	4:3:1:1:	4:4:4:2:	3:4:3:	C[5,5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:O[6]-2:	C[5,6a]-3:C[5]-4:C[6a]-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	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[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]HH)(C[6a]C[6a]H)	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>}	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[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	102.9100	0.000	1	102.9100	0.000	1	103.4212	1.422	5	103.4212	1.422	5	103.3684	0.856	18	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5,6]	C[5,6a]	4:3:1:1:	4:4:4:4:	3:4:3:	C[5,5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,5,6](C[5,5,6]C[5,6a]C[6]O[5])(C[5]C[5,6a]HH)(C[5]C[5]HH)(C[6]O[6]HH)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]HH)(C[6a]C[6a]H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(H)2{2|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,6a]C[6]O[5])(C[5]C[5,6a]HH)(C[5]C[5]HH)(C[6]O[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	103.7210	0.000	1	103.7210	0.000	1	103.7210	0.000	1	103.7210	0.000	1	103.3684	0.856	18	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5,6]	C[5,6a]	4:3:3:1:	4:4:4:4:	3:4:3:	C[5,5,6]-4:C[5,6a]-3:C-3:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[5,6a]C[6a])(COO)(H)	C[5,5,6](C[5,6]C[5,6a]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,6a]CH)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,5,6]CH)(C[6a]C[6a]C)	C[5](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[5,6a]C[6a])(COO)(H){3|C<3>,3|C<4>,5|H<1>}	C[5,5,6](C[5,6]C[5,6a]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5,6a]CH)(C[5]C[5]HH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,5,6]CH)(C[6a]C[6a]C){1|C<3>,3|C<4>,3|H<1>}	102.9120	0.000	1	102.9120	0.000	1	102.9120	0.000	1	102.9120	0.000	1	103.3684	0.856	18	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,5a]	3:4:1:1:	3:4:4:1:	3:3:4:	C[5,5a]-3:C[5,5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,6a]C[5,5]H)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5a]O[5]C)(C[5]C[5,5a]HH)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a])(C[5]C[5,5]HH)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,6a]C[5,5]H)(H)2{1|C<4>,1|N<3>,1|O<2>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5a]O[5]C)(C[5]C[5,5a]HH)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a])(C[5]C[5,5]HH){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	102.2750	0.000	1	102.2750	0.000	1	102.2750	0.000	1	102.2750	0.000	1	101.2722	2.164	8	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,5a]	3:4:1:1:	4:4:4:1:	3:3:4:	C[5,5a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5,5]C[5]H)(H)2	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[5,5a](C[5,5a]C[5a,6a]C[5,5])(N[5a]C[5a,6a]S)(C[5]C[5,5]HH)	C[5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5,5]C[5]H)(H)2{1|C<4>,1|O<2>,1|S<4>,2|H<1>,3|C<3>}	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[5,5a](C[5,5a]C[5a,6a]C[5,5])(N[5a]C[5a,6a]S)(C[5]C[5,5]HH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	101.6980	0.000	1	101.6980	0.000	1	101.6980	0.000	1	102.4625	1.169	2	101.2722	2.164	8	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,5a]	3:4:1:1:	4:4:4:1:	3:3:4:	C[5,5a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]C[5]H)(H)2	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[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a])(C[5]C[5,5]HH)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]C[5]H)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	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[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a])(C[5]C[5,5]HH){1|C<4>,1|O<2>,1|S<4>,2|H<1>,3|C<3>}	103.2270	0.000	1	103.2270	0.000	1	103.2270	0.000	1	102.4625	1.169	2	101.2722	2.164	8	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,5a]	3:4:1:1:	4:4:4:3:	3:3:4:	C[5,5a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-3:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5,5]C[5]C)(H)2	C[5,5](C[5,5]C[5,5a]C[5]O)(C[5]C[5,5a]HH)(C[5]C[5]HH)(COO)	C[5,5a](C[5,5a]C[5a,6a]C[5,5])(N[5a]C[5a,6a]S)(C[5]C[5,5]HH)	C[5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5,5]C[5]C)(H)2{1|O<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5,5a]C[5]O)(C[5]C[5,5a]HH)(C[5]C[5]HH)(COO){1|C<3>,1|N<3>,4|H<1>}	C[5,5a](C[5,5a]C[5a,6a]C[5,5])(N[5a]C[5a,6a]S)(C[5]C[5,5]HH){1|O<2>,2|C<4>,3|C<3>}	101.9975	0.251	2	101.9975	0.063	2	101.9975	0.063	2	101.9975	0.063	2	101.2722	2.164	8	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,5a]	3:4:3:1:	4:4:4:1:	3:4:3:	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[5,5a]-3:C[5]-4:N[5a]-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[5,5a](C[5,5a]C[5a,6a]C[5,5])(C[5]C[5,5]C[6a]H)(N[5a]C[5a,6a]S)	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[5,5a](C[5,5a]C[5a,6a]C[5,5])(C[5]C[5,5]C[6a]H)(N[5a]C[5a,6a]S){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	100.5060	0.000	1	100.5060	0.000	1	100.5060	0.000	1	100.5060	0.000	1	101.2722	2.164	8	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,5a]	4:3:3:1:	3:4:3:3:	3:4:2:	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[5,5a]-3:C[5]-4:O[5a]-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)	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[5,5a](C[5,5a]C[5a,6a]N[5])(C[5]C[5,5]C[6a]H)(O[5a]C[5a,6a])	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[5,5a](C[5,5a]C[5a,6a]N[5])(C[5]C[5,5]C[6a]H)(O[5a]C[5a,6a]){1|S<4>,6|C<3>}	98.9546	0.000	1	98.9546	0.000	1	98.9546	0.000	1	98.9546	0.000	1	101.2722	2.164	8	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,5a]	4:3:4:3:	3:4:2:3:	3:4:3:	C[5,5]-4:C[5,5a]-3:C-4:C-3:	C[5,6a]-3:C[5]-4:O[5]-2:C[5]-3:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,5a]C[5,5a]C[5a])(CF3)(COO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5a]CC)(O[5]C[5,5a])(C[5]N[5]O)	C[5,5a](C[5,5a]N[5a]O[5])(C[5]C[5,5]CC)(C[5a]N[5a]C)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,5a]C[5,5a]C[5a])(CF3)(COO){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|N<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5a]CC)(O[5]C[5,5a])(C[5]N[5]O){1|H<1>,1|N<3>,4|C<3>}	C[5,5a](C[5,5a]N[5a]O[5])(C[5]C[5,5]CC)(C[5a]N[5a]C){3|C<3>}	99.5220	0.000	1	99.5220	0.000	1	99.5220	0.000	1	99.5220	0.000	1	101.2722	2.164	8	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:1:	3:4:2:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(O[5]C[5])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2{1|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|O<2>,2|C<3>,3|H<1>}	100.6880	0.000	1	100.6880	0.000	1	100.6880	0.000	1	100.6880	0.000	1	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:1:	3:4:3:3:	3:4:3:	C[5,6a]-3:C[5,5]-4:Br-1:H-1:	C[5,6a]-3:C[5]-4:N[5]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]N[5]2)(Br)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]BrH)(N[5]C[5,6a]C)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]BrH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]N[5]2)(Br)(H){1|C<4>,1|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]BrH)(N[5]C[5,6a]C)(N[5]C[5]C){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]BrH)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	104.4500	0.000	1	104.4500	0.000	1	104.2426	0.592	5	104.4964	0.583	7	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:1:	3:4:3:3:	3:4:3:	C[5,6a]-3:C[5,5]-4:Br-1:H-1:	C[5,6a]-3:C[5]-4:N[5]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]N[5]2)(Br)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]BrH)(N[5]C[6a]C[5])(N[5]C[5,6a]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]BrH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]N[5]2)(Br)(H){1|H<1>,7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]BrH)(N[5]C[6a]C[5])(N[5]C[5,6a]C){1|H<1>,1|O<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]BrH)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<3>,3|C<3>}	104.1908	0.879	4	104.1908	0.772	4	104.2426	0.592	5	104.4964	0.583	7	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:1:	3:4:3:3:	3:4:3:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(H)2	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(H)2{1|H<1>,1|O<2>,2|O<1>,4|C<3>}	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[5]O[5]O){5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	105.1310	0.000	2	105.1310	0.000	2	105.1310	0.000	2	104.4964	0.583	7	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:1:	3:4:4:1:	3:3:4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]N[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(H)2	C[5,5](N[5,5]N[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5]HH)(H)	C[5,6a](N[5,6a]N[5,5]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,5]HH)	C[5](C[5,6a]N[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,5](N[5,5]N[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](N[5,6a]N[5,5]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,5]HH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	103.2990	0.000	1	103.2990	0.000	1	103.2990	0.000	1	103.2990	0.000	1	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:1:	3:4:4:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6]CC)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2{1|H<1>,2|C<4>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6]CC)(H){1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	102.7470	0.000	1	102.7470	0.000	1	102.7753	0.274	3	103.0593	0.571	16	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:1:	3:4:4:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6]CH)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2{1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6]CH)(H){1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	103.3120	0.000	1	102.7895	0.546	2	102.7753	0.274	3	103.0593	0.571	16	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:1:	3:4:4:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6]CH)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6]CH)(H){1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	102.2670	0.000	1	102.7895	0.546	2	102.7753	0.274	3	103.0593	0.571	16	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:1:	3:4:4:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(H)2	C[5,5](N[5,5]C[5,6a]C[5,6])(C[5]C[5,6a]HH)(C[5]C[5,6]CH)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5,5](N[5,5]C[5,6a]C[5,6])(C[5]C[5,6a]HH)(C[5]C[5,6]CH)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	103.0770	0.000	1	103.0770	0.000	1	103.1248	0.644	13	103.0593	0.571	16	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:1:	3:4:4:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(H)2	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6]HH)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6]HH)(H){1|O<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	103.0120	0.218	2	103.0120	0.047	2	103.1248	0.644	13	103.0593	0.571	16	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:1:	3:4:4:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(H)2	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5]HH)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(H)2{3|H<1>,4|C<3>}	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5]HH)(H){1|O<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	103.0155	0.049	2	103.0155	0.002	2	103.1248	0.644	13	103.0593	0.571	16	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:1:	3:4:4:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(H)2	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]N[5]HH)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(H)2{1|N<3>,3|C<3>,3|H<1>}	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]N[5]HH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	103.2440	0.561	2	102.8287	0.675	3	103.1248	0.644	13	103.0593	0.571	16	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:1:	3:4:4:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(H)2	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]N[5]HH)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(H)2{1|N<3>,3|C<3>,3|H<1>}	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]N[5]HH)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	101.9980	0.000	1	102.8287	0.675	3	103.1248	0.644	13	103.0593	0.571	16	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:1:	3:4:4:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(H)2	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[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(H)2{2|H<1>,5|C<3>}	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[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	102.0900	0.000	1	102.0900	0.000	1	103.1248	0.644	13	103.0593	0.571	16	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:1:	3:4:4:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(H)2	C[5,5](N[5,5]C[5,6a]P[5])(C[5]C[5,6a]HH)(C[5]O[5]HH)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(H)2{1|O<2>,1|P<4>,2|C<3>,3|H<1>}	C[5,5](N[5,5]C[5,6a]P[5])(C[5]C[5,6a]HH)(C[5]O[5]HH)(H){1|Pd<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|P<4>,3|H<1>}	103.7285	1.078	4	103.7285	1.161	4	103.1248	0.644	13	103.0593	0.571	16	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:1:	3:4:4:3:	3:4:3:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-4:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(H)2	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6]HH)(COO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6]HH)(COO){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	102.8010	0.000	1	102.8010	0.000	1	102.8010	0.000	1	102.8010	0.000	1	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:1:	3:4:4:4:	3:4:3:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]C)(H)2	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5]HH)(CH3)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]C)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5]HH)(CH3){1|C<4>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	102.5330	0.000	1	102.5330	0.000	1	102.5330	0.000	1	102.5330	0.000	1	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:1:	4:2:3:3:	3:4:3:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:O[5]-2:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(H)2	C[5,5](C[5]C[5,6a]HH)(O[5]C[5,6a])(C[5]C[5]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5,5](C[5]C[5,6a]HH)(O[5]C[5,6a])(C[5]C[5]H)(C[5]C[5]O){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){2|C<4>,3|C<3>}	102.8260	0.000	1	102.8260	0.000	1	102.8260	0.000	1	102.8260	0.000	1	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:1:	4:2:4:2:	3:4:3:	C[5,6a]-3:C[5,5]-4:Br-1:H-1:	C[5]-4:O[5]-2:C[5]-4:O[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]2)(Br)(H)	C[5,5](C[5]C[5,6a]BrH)(O[5]C[5,6a])(C[5]C[5]HH)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]BrH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]2)(Br)(H){1|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5]C[5,6a]BrH)(O[5]C[5,6a])(C[5]C[5]HH)(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]BrH)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	101.7705	0.049	2	101.7705	0.002	2	101.7705	0.002	2	101.7705	0.002	2	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:1:	4:2:4:3:	3:4:3:	C[5,6a]-3:C[5,5]-4:Br-1:H-1:	C[5]-4:O[5]-2:C[5]-4:N[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(Br)(H)	C[5,5](C[5]C[5,6a]BrH)(O[5]C[5,6a])(C[5]O[5]HH)(N[5]C[5]S)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]BrH)(C[6a]C[6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(Br)(H){1|C<4>,1|O<2>,1|S<4>,2|H<1>,3|C<3>}	C[5,5](C[5]C[5,6a]BrH)(O[5]C[5,6a])(C[5]O[5]HH)(N[5]C[5]S){1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]BrH)(C[6a]C[6a]C){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	102.7740	0.000	1	102.7740	0.000	1	102.6642	0.072	4	102.6642	0.072	4	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:1:	4:2:4:3:	3:4:3:	C[5,6a]-3:C[5,5]-4:Br-1:H-1:	C[5]-4:O[5]-2:C[5]-4:N[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(Br)(H)	C[5,5](C[5]C[5,6a]BrH)(O[5]C[5,6a])(C[5]O[5]HH)(N[5]C[5]S)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]BrH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(Br)(H){1|O<2>,1|S<4>,3|C<3>,3|H<1>}	C[5,5](C[5]C[5,6a]BrH)(O[5]C[5,6a])(C[5]O[5]HH)(N[5]C[5]S){1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]BrH)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	102.5170	0.000	1	102.6277	0.100	3	102.6642	0.072	4	102.6642	0.072	4	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:1:	4:2:4:3:	3:4:3:	C[5,6a]-3:C[5,5]-4:Br-1:H-1:	C[5]-4:O[5]-2:C[5]-4:N[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(Br)(H)	C[5,5](C[5]C[5,6a]BrH)(O[5]C[5,6a])(C[5]O[5]HH)(N[5]C[5]S)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]BrH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(Br)(H){1|O<2>,1|S<4>,3|C<3>,3|H<1>}	C[5,5](C[5]C[5,6a]BrH)(O[5]C[5,6a])(C[5]O[5]HH)(N[5]C[5]S){1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]BrH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|N<3>}	102.3810	0.000	1	102.6277	0.100	3	102.6642	0.072	4	102.6642	0.072	4	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:1:	4:2:4:3:	3:4:3:	C[5,6a]-3:C[5,5]-4:Br-1:H-1:	C[5]-4:O[5]-2:C[5]-4:N[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(Br)(H)	C[5,5](C[5]C[5,6a]BrH)(O[5]C[5,6a])(C[5]O[5]HH)(N[5]C[5]S)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]BrH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(Br)(H){1|O<2>,1|S<4>,3|C<3>,3|H<1>}	C[5,5](C[5]C[5,6a]BrH)(O[5]C[5,6a])(C[5]O[5]HH)(N[5]C[5]S){1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]BrH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	102.9850	0.000	1	102.6277	0.100	3	102.6642	0.072	4	102.6642	0.072	4	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:1:	4:3:2:2:	3:4:3:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:C[5]-3:O[5]-2:S[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]S[5])(H)2	C[5,5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(O[5]N[5])(S[5]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]S[5])(H)2{1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[5,5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(O[5]N[5])(S[5]C[5]){3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,1|S<2>,2|H<1>}	104.9070	0.000	1	104.9070	0.000	1	104.9070	0.000	1	104.9070	0.000	1	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:1:	4:3:3:3:	3:4:3:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:C[5]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(H)2	C[5,5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[5]C[5]Se)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(H)2{1|Se<2>,1|H<1>,1|O<2>,2|O<1>,3|C<3>}	C[5,5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[5]C[5]Se)(C[5]O[5]O){3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	105.4220	0.000	1	105.4220	0.000	1	104.9560	0.434	2	104.6628	0.208	5	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:1:	4:3:3:3:	3:4:3:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:C[5]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(H)2	C[5,5](C[5]C[5,6a]HH)(C[5]C[6a]N[5])(C[5]C[5,6a]C)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(H)2{1|H<1>,1|N<2>,1|N<3>,1|O<1>,4|C<3>}	C[5,5](C[5]C[5,6a]HH)(C[5]C[6a]N[5])(C[5]C[5,6a]C)(C[5]N[5]O){5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){2|H<1>,4|C<3>}	104.4900	0.000	1	104.4900	0.000	1	104.9560	0.434	2	104.6628	0.208	5	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:1:	4:3:3:3:	3:4:3:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:C[5]-3:C[5]-3:S[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(H)2	C[5,5](C[5]C[5,6a]HH)(C[5]C[6a]N[5])(C[5]C[5,6a]O)(S[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(H)2{1|C<4>,1|N<2>,1|O<2>,2|O<1>,3|C<3>}	C[5,5](C[5]C[5,6a]HH)(C[5]C[6a]N[5])(C[5]C[5,6a]O)(S[5]O[5]O){4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]C){1|O<1>,1|S<3>,2|C<3>,2|H<1>}	104.5450	0.000	1	104.5450	0.000	1	104.4673	0.056	3	104.6628	0.208	5	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:1:	4:3:3:3:	3:4:3:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:C[5]-3:C[5]-3:S[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(H)2	C[5,5](C[5]C[5,6a]HH)(C[5]C[6a]N[5])(C[5]C[5,6a]O)(S[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(H)2{1|H<1>,1|N<2>,1|O<2>,2|O<1>,3|C<3>}	C[5,5](C[5]C[5,6a]HH)(C[5]C[6a]N[5])(C[5]C[5,6a]O)(S[5]O[5]O){4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|O<1>,1|S<3>,2|C<3>,2|H<1>}	104.4285	0.322	2	104.4285	0.104	2	104.4673	0.056	3	104.6628	0.208	5	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:1:	4:3:4:3:	3:4:3:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:C[5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(H)2	C[5,5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[5]C[5]HH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(H)2{1|C<4>,1|N<3>,2|C<3>,2|O<1>,3|H<1>}	C[5,5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[5]C[5]HH)(C[5]N[5]O){1|H<1>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	104.7040	0.000	1	104.7040	0.000	1	104.7040	0.000	1	104.4905	0.091	2	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:1:	4:3:4:3:	3:4:3:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:C[5]-3:C[5]-4:N[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(H)2	C[5,5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[5]C[5]HH)(N[5]N[5]S)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(H)2{1|N<2>,1|O<1>,1|S<4>,3|C<3>,3|H<1>}	C[5,5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[5]C[5]HH)(N[5]N[5]S){3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	104.2770	0.000	1	104.2770	0.000	1	104.2770	0.000	1	104.4905	0.091	2	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:1:	4:4:2:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2	C[5,5](C[5,5]C[5,6a]N[5,5]H)(C[5]C[5,6a]HH)(O[5]C[5,5])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5,6a]N[5,5]H)(C[5]C[5,6a]HH)(O[5]C[5,5])(H){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	104.8030	0.000	1	104.8203	0.080	3	104.1800	0.693	36	104.1800	0.693	36	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:1:	4:4:2:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2	C[5,5](C[5,5]C[5,6a]N[5,5]H)(C[5]C[5,6a]HH)(O[5]C[5,5])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]N[5,5]H)(C[5]C[5,6a]HH)(O[5]C[5,5])(H){4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	104.8290	0.399	2	104.8203	0.080	3	104.1800	0.693	36	104.1800	0.693	36	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:1:	4:4:2:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2	C[5,5](C[5,5]C[5,6a]N[5,6]H)(C[5]C[5,6a]HH)(O[5]C[5,6])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5,6a]N[5,6]H)(C[5]C[5,6a]HH)(O[5]C[5,6])(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	105.2240	0.000	1	105.1310	0.017	2	104.1800	0.693	36	104.1800	0.693	36	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:1:	4:4:2:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2	C[5,5](C[5,5]C[5,6a]N[5,6]H)(C[5]C[5,6a]HH)(O[5]C[5,6])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5,6a]N[5,6]H)(C[5]C[5,6a]HH)(O[5]C[5,6])(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	105.0380	0.000	1	105.1310	0.017	2	104.1800	0.693	36	104.1800	0.693	36	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:1:	4:4:2:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5,6])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5,6])(H){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,4|H<1>}	104.0353	0.342	4	104.0353	0.117	4	104.1800	0.693	36	104.1800	0.693	36	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:1:	4:4:2:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	105.6170	0.535	2	104.0577	0.874	24	104.1800	0.693	36	104.1800	0.693	36	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:1:	4:4:2:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|H<1>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	104.2965	0.556	2	104.0577	0.874	24	104.1800	0.693	36	104.1800	0.693	36	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:1:	4:4:2:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	103.8210	0.919	2	104.0577	0.874	24	104.1800	0.693	36	104.1800	0.693	36	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:1:	4:4:2:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2{1|N<2>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,4|H<1>}	104.1305	0.161	2	104.0577	0.874	24	104.1800	0.693	36	104.1800	0.693	36	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:1:	4:4:2:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	104.2840	0.000	1	104.0577	0.874	24	104.1800	0.693	36	104.1800	0.693	36	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:1:	4:4:2:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|Ir<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	102.9450	0.000	1	104.0577	0.874	24	104.1800	0.693	36	104.1800	0.693	36	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:1:	4:4:2:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|Ir<6>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	102.3780	0.554	2	104.0577	0.874	24	104.1800	0.693	36	104.1800	0.693	36	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:1:	4:4:2:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|Ni<4>,1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	104.4002	0.612	4	104.0577	0.874	24	104.1800	0.693	36	104.1800	0.693	36	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:1:	4:4:2:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|Ni<5>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	103.1410	0.000	1	104.0577	0.874	24	104.1800	0.693	36	104.1800	0.693	36	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:1:	4:4:2:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|O<1>,1|S<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	103.4910	0.000	1	104.0577	0.874	24	104.1800	0.693	36	104.1800	0.693	36	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:1:	4:4:2:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	103.6230	0.000	1	104.0577	0.874	24	104.1800	0.693	36	104.1800	0.693	36	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:1:	4:4:2:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|Rh<4>,1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	104.7530	0.141	2	104.0577	0.874	24	104.1800	0.693	36	104.1800	0.693	36	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:1:	4:4:2:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|Rh<8>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	103.1060	0.000	1	104.0577	0.874	24	104.1800	0.693	36	104.1800	0.693	36	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:1:	4:4:2:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|Zn<4>,1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	104.6015	0.937	2	104.0577	0.874	24	104.1800	0.693	36	104.1800	0.693	36	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:1:	4:4:2:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]P[5])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2{1|N<3>,1|P<4>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]P[5])(H){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	104.0720	0.000	1	104.0720	0.000	1	104.1800	0.693	36	104.1800	0.693	36	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:1:	4:4:2:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]HH)(O[5]C[5])(H){1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,2|O<2>,4|H<1>}	104.0795	0.346	2	104.0795	0.120	2	104.1800	0.693	36	104.1800	0.693	36	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:1:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	104.5250	0.000	1	104.5250	0.000	1	104.3292	0.681	5	104.4473	0.411	10	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:1:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[6a]C[5])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[6a]C[5])(H){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	103.5580	0.000	1	103.5580	0.000	1	104.3292	0.681	5	104.4473	0.411	10	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:1:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]HH)(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]HH)(C[5]C[5]C)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|O<2>,2|C<3>,4|H<1>}	103.5610	0.000	1	104.5210	0.989	3	104.3292	0.681	5	104.4473	0.411	10	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:1:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]HH)(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2{1|O<2>,2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]HH)(C[5]C[5]C)(H){1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|O<2>,2|C<3>,4|H<1>}	105.0010	0.772	2	104.5210	0.989	3	104.3292	0.681	5	104.4473	0.411	10	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:1:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)2	C[5,5](C[5,5]C[5,6a]2H)(C[5]C[5,6a]HH)(N[5]C[5,6a]S)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)2{1|S<4>,2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]2H)(C[5]C[5,6a]HH)(N[5]C[5,6a]S)(H){4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|N<3>,2|C<3>,4|H<1>}	104.1520	0.000	1	104.1520	0.000	1	104.5654	0.210	5	104.4473	0.411	10	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:1:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)2	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(N[5]C[6a]O[5])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(N[5]C[6a]O[5])(H){1|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	105.3190	0.000	1	105.3190	0.000	1	104.5654	0.210	5	104.4473	0.411	10	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:1:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)2	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[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	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[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	104.2500	0.000	1	104.2500	0.000	1	104.5654	0.210	5	104.4473	0.411	10	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:1:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)2	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(N[5]C[5]S)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)2{1|N<2>,1|S<4>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(N[5]C[5]S)(H){1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,4|H<1>}	104.5720	0.000	1	104.5720	0.000	1	104.5654	0.210	5	104.4473	0.411	10	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:1:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)2	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(N[5]S[5]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)2{1|C<4>,1|N<3>,1|S<4>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(N[5]S[5]C)(H){2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,2|N<3>,4|H<1>}	104.5340	0.000	1	104.5340	0.000	1	104.5654	0.210	5	104.4473	0.411	10	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:1:	4:4:3:2:	3:4:3:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(H)2	C[5,5](C[5]C[5,6a]HH)2(C[5]C[5,6a]O)(O[5]C[5,6a])	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(H)2{1|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5]C[5,6a]HH)2(C[5]C[5,6a]O)(O[5]C[5,6a]){4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	104.6370	0.000	1	104.6370	0.000	1	103.8740	1.164	2	103.8740	1.164	2	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:1:	4:4:3:2:	3:4:3:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(H)2	C[5,5](C[5]C[5,6a]HH)2(C[5]C[5,6a]O)(O[5]C[5,6a])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(H)2{1|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5]C[5,6a]HH)2(C[5]C[5,6a]O)(O[5]C[5,6a]){4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	103.1110	0.000	1	103.1110	0.000	1	103.8740	1.164	2	103.8740	1.164	2	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:1:	4:4:3:3:	3:4:3:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(H)2	C[5,5](C[5]C[5,5]C[5a]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[5]N[5]S)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(H)2{1|C<4>,1|N<3>,1|O<1>,1|S<1>,2|H<1>,3|C<3>}	C[5,5](C[5]C[5,5]C[5a]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[5]N[5]S){1|H<1>,1|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	104.4180	0.000	1	104.4180	0.000	1	104.2597	0.021	3	104.0798	1.059	8	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:1:	4:4:3:3:	3:4:3:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(H)2	C[5,5](C[5]C[5,6a]HH)2(C[5]O[5]O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(H)2{2|C<3>,2|O<1>,2|O<2>,3|H<1>}	C[5,5](C[5]C[5,6a]HH)2(C[5]O[5]O)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){3|C<3>,4|H<1>}	104.1805	0.059	2	104.1805	0.003	2	104.2597	0.021	3	104.0798	1.059	8	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:1:	4:4:3:3:	3:4:3:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(H)2	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(H)2{1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(N[5]C[5]H){1|N<3>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	105.0195	0.153	2	105.0195	0.024	2	105.0195	0.024	2	104.0798	1.059	8	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:1:	4:4:3:3:	3:4:3:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:C[5]-4:N[5]-3:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(H)2	C[5,5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(N[5]C[6a]C[5])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5,5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(N[5]C[6a]C[5])(C[5]C[5]O){1|O<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	103.6160	1.683	2	103.6160	2.832	2	103.2733	1.768	3	104.0798	1.059	8	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:1:	4:4:3:3:	3:4:3:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5]-4:C[5]-4:N[5]-3:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(H)2	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[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(H)2{1|C<4>,1|O<1>,2|H<1>,5|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[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	102.5880	0.000	1	102.5880	0.000	1	103.2733	1.768	3	104.0798	1.059	8	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:1:	4:4:3:4:	3:3:4:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5,6a]-3:C[5]-4:	C[5](C[5,6a]N[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(H)2	C[5,5](C[5,5]N[5,6a]C[5]O)(C[5]C[5,6a]HH)(C[5]C[5]O)(CH3)	C[5,6a](C[6a]C[6a,6a]C[6a])(N[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)	C[5](C[5,6a]N[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(H)2{1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,5](C[5,5]N[5,6a]C[5]O)(C[5]C[5,6a]HH)(C[5]C[5]O)(CH3){2|C<3>,4|H<1>}	C[5,6a](C[6a]C[6a,6a]C[6a])(N[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH){1|O<1>,1|O<2>,2|C<4>,5|C<3>}	103.9620	0.000	1	103.9620	0.000	1	103.9620	0.000	1	103.9620	0.000	1	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:1:	4:4:3:4:	3:4:3:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(H)2	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(C[5]C[5]C)(CHHO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(C[5]C[5]C)(CHHO){1|S<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	104.3280	0.000	1	104.3280	0.000	1	104.3280	0.000	1	104.3280	0.000	1	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:1:	4:4:4:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[3x5]-4:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3x5]C[5]H)(H)2	C[5,5](C[3x5]C[5,6a]2C[5,5])(C[5]C[5,6a]HH)(C[5]C[5]HH)(H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3x5]C[5]H)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[5,5](C[3x5]C[5,6a]2C[5,5])(C[5]C[5,6a]HH)(C[5]C[5]HH)(H){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[3x5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	104.6975	0.013	2	104.6975	0.000	2	104.6975	0.000	2	103.8432	1.104	13	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:1:	4:4:4:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]2H)(H)2	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5,5]C[3x5]N[5]H)(C[5]C[5,6a]HH)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]2H)(H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5,5]C[3x5]N[5]H)(C[5]C[5,6a]HH)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	104.1410	0.000	1	104.1410	0.000	1	104.1410	0.000	1	103.8432	1.104	13	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:1:	4:4:4:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2	C[5,5](C[5,5]C[5,6a]2H)(C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2{1|N<3>,3|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]2H)(C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H){4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	103.1570	0.000	1	103.1570	0.000	1	103.5681	1.349	9	103.8432	1.104	13	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:1:	4:4:4:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2	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[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2{1|O<2>,2|C<4>,2|H<1>,3|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[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	104.9330	0.000	1	104.3505	0.679	2	103.5681	1.349	9	103.8432	1.104	13	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:1:	4:4:4:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2	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[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2{1|O<2>,2|C<4>,2|H<1>,3|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[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	103.7680	0.000	1	104.3505	0.679	2	103.5681	1.349	9	103.8432	1.104	13	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:1:	4:4:4:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(C[5]C[5]HH)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2{1|N<3>,3|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	104.9150	0.000	1	104.9150	0.000	1	103.5681	1.349	9	103.8432	1.104	13	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:1:	4:4:4:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(C[5]O[5]HH)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2{1|N<3>,2|C<3>,2|O<2>,3|H<1>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(C[5]O[5]HH)(H){3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	105.1190	0.000	1	105.1190	0.000	1	103.5681	1.349	9	103.8432	1.104	13	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:1:	4:4:4:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(C[5]S[5]HH)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)2{1|N<3>,1|S<4>,2|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(C[5]S[5]HH)(H){2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	102.5553	0.364	4	102.5553	0.133	4	103.5681	1.349	9	103.8432	1.104	13	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:1:	4:4:4:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	N[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(H)2	C[5,5](N[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5]CO)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,5](N[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5]CO)(H){2|C<3>,4|H<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	104.3130	0.000	1	104.3130	0.000	1	104.3130	0.000	1	103.8432	1.104	13	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:1:	4:4:4:2:	3:4:3:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]O)(H)2	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[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]O)(H)2{1|C<4>,2|H<1>,2|O<2>,3|C<3>}	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[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>,3|O<2>}	104.0735	0.723	2	104.0735	0.523	2	104.0735	0.523	2	104.0735	0.523	2	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:1:	4:4:4:3:	3:4:3:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(H)2	C[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]HH)(C[5]C[5]HH)(COO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]HH)(C[5]C[5]HH)(COO){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	102.5650	0.000	1	102.5650	0.000	1	102.5650	0.000	1	103.9859	0.355	19	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:1:	4:4:4:3:	3:4:3:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(H)2	C[5,5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>,4|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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	103.9560	0.000	1	103.9560	0.000	1	104.0648	0.250	18	103.9859	0.355	19	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:1:	4:4:4:3:	3:4:3:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(H)2	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O){1|C<4>,1|O<1>,2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	104.1195	0.046	2	103.9027	0.142	3	104.0648	0.250	18	103.9859	0.355	19	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:1:	4:4:4:3:	3:4:3:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(H)2	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O){1|N<3>,1|O<1>,2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	103.4690	0.000	1	103.9027	0.142	3	104.0648	0.250	18	103.9859	0.355	19	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:1:	4:4:4:3:	3:4:3:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(H)2	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O){1|H<1>,1|O<1>,2|C<4>,7|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	102.9810	0.000	1	102.9810	0.000	1	104.0648	0.250	18	103.9859	0.355	19	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:1:	4:4:4:3:	3:4:3:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(H)2	C[5,5](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5,5](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O){1|C<4>,2|H<1>,2|O<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	103.9910	0.341	2	104.0514	0.154	8	104.0648	0.250	18	103.9859	0.355	19	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:1:	4:4:4:3:	3:4:3:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(H)2	C[5,5](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5,5](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O){1|C<4>,2|H<1>,2|O<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	104.0715	0.436	6	104.0514	0.154	8	104.0648	0.250	18	103.9859	0.355	19	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:1:	4:4:4:3:	3:4:3:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(H)2	C[5,5](C[5,5]N[5,5]C[5]2)(C[5]C[5,5]C[6a]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5,5](C[5,5]N[5,5]C[5]2)(C[5]C[5,5]C[6a]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O){1|H<1>,2|C<4>,2|O<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	104.4222	0.497	5	104.4222	0.247	5	104.0648	0.250	18	103.9859	0.355	19	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:1:1:	4:4:4:4:	3:4:3:	C[5,6a]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(H)2	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(H)2{2|C<4>,2|O<2>,3|H<1>,4|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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	104.4640	0.000	1	104.4640	0.000	1	104.4640	0.000	1	104.4640	0.000	1	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:2:1:	3:4:2:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:O-2:H-1:	C[5,5]-3:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(OC)(H)	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HO)(O[5]C[5])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(OC)(H){1|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HO)(O[5]C[5])(H){1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H){1|O<2>,2|C<3>,3|H<1>}	101.1060	0.173	2	101.1060	0.030	2	101.1060	0.030	2	101.1060	0.030	2	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:2:1:	4:2:4:3:	3:4:3:	C[5,6a]-3:C[5,5]-4:N-2:H-1:	C[5]-4:O[5]-2:C[5]-4:N[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(NN)(H)	C[5,5](C[5]C[5,6a]HN)(O[5]C[5,6a])(C[5]O[5]HH)(N[5]C[5]S)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]HN)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(NN)(H){1|O<2>,1|S<4>,3|C<3>,3|H<1>}	C[5,5](C[5]C[5,6a]HN)(O[5]C[5,6a])(C[5]O[5]HH)(N[5]C[5]S){1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]HN)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	102.7470	0.000	1	102.7470	0.000	1	102.7470	0.000	1	102.2905	0.417	2	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:2:1:	4:2:4:3:	3:4:3:	C[5,6a]-3:C[5,5]-4:O-2:H-1:	C[5]-4:O[5]-2:C[5]-4:N[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(OH)(H)	C[5,5](C[5]C[5,6a]HO)(O[5]C[5,6a])(C[5]O[5]HH)(N[5]C[5]S)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]HO)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(OH)(H){1|O<2>,1|S<4>,3|C<3>,3|H<1>}	C[5,5](C[5]C[5,6a]HO)(O[5]C[5,6a])(C[5]O[5]HH)(N[5]C[5]S){1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]HO)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	101.8340	0.000	1	101.8340	0.000	1	101.8340	0.000	1	102.2905	0.417	2	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:2:1:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(OH)(H)	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]HO)(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(OH)(H){1|O<2>,2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]HO)(C[5]C[5]C)(H){1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H){1|O<2>,2|C<3>,4|H<1>}	103.6630	0.331	3	103.6630	0.110	3	103.6630	0.110	3	103.6630	0.110	3	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:2:1:	4:4:3:3:	3:4:3:	C[5,6a]-3:C[5,5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:C[5]-3:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(OH)(H)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HO)(C[5]C[5]C)(COO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(OH)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HO)(C[5]C[5]C)(COO){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	102.9880	0.000	1	102.9880	0.000	1	102.9880	0.000	1	103.8293	0.774	3	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:2:1:	4:4:3:3:	3:4:3:	C[5,6a]-3:C[5,5]-4:O-2:H-1:	C[5]-4:C[5]-4:N[5]-3:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(OH)(H)	C[5,5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(N[5]C[6a]C[5])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HO)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(OH)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(N[5]C[6a]C[5])(C[5]C[5]O){1|O<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HO)(C[6a]C[6a]H){1|N<3>,2|C<3>,4|H<1>}	104.2500	0.697	2	104.2500	0.486	2	104.2500	0.486	2	103.8293	0.774	3	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:2:1:	4:4:3:4:	3:4:3:	C[5,6a]-3:C[5,5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(OH)(H)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HO)(C[5]C[5]C)(CHHO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(OH)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HO)(C[5]C[5]C)(CHHO){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	103.7580	0.000	1	103.7580	0.000	1	103.7580	0.000	1	103.7580	0.000	1	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:2:1:	4:4:4:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(OC)(H)	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5]C[5,6a]HO)(C[5]C[5]HH)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(OC)(H){2|C<3>,2|C<4>,4|H<1>}	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5]C[5,6a]HO)(C[5]C[5]HH)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	105.3825	0.084	2	105.3825	0.007	2	104.7313	1.276	3	104.7313	1.276	3	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:2:1:	4:4:4:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(OH)(H)	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]HO)(C[5]C[5]HH)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(OH)(H){1|O<2>,3|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]HO)(C[5]C[5]HH)(H){1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	103.4290	0.000	1	103.4290	0.000	1	104.7313	1.276	3	104.7313	1.276	3	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:2:1:	4:4:4:4:	3:4:3:	C[5,6a]-3:C[5,5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(OH)(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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HO)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(OH)(H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]HO){1|C<4>,2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HO)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	104.0170	0.000	1	104.0170	0.000	1	104.0170	0.000	1	104.0170	0.000	1	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:3:1:	3:4:4:4:	3:4:3:	C[5,6a]-3:C[5,5]-4:N-3:H-1:	N[5,5]-3:C[5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]C)(NHS)(H)	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HN)(C[5]C[5]HH)(CCHH)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HN)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]C)(NHS)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HN)(C[5]C[5]HH)(CCHH){2|C<3>,4|H<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HN)(C[6a]C[6a]O){1|C<3>,2|H<1>,3|C<4>}	102.0797	0.842	3	102.0797	0.708	3	102.0797	0.708	3	102.0797	0.708	3	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:3:1:	4:2:3:3:	3:4:3:	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[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(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[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[5,5]C[6a]H)(C[6a]O[6a]O)	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[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[5,5]C[6a]H)(C[6a]O[6a]O){6|C<3>}	98.0350	0.262	2	98.0350	0.069	2	98.0350	0.069	2	98.0350	0.069	2	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	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[5,6a]-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[5,6a](C[5]C[5,5]C[6a]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	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[5,6a](C[5]C[5,5]C[6a]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	100.7870	0.000	1	100.7870	0.000	1	100.1050	0.930	2	100.1050	0.930	2	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	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[5,6a]-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[5,6a](C[5]C[5,5]C[6a]H)(C[5,6a]N[6a]O[5])(C[6a]N[6a]N)	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[5,6a](C[5]C[5,5]C[6a]H)(C[5,6a]N[6a]O[5])(C[6a]N[6a]N){5|C<3>}	99.4230	0.000	1	99.4230	0.000	1	100.1050	0.930	2	100.1050	0.930	2	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:3:1:	4:2:4:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5a]-3:H-1:	C[5]-4:O[5]-2:C[5]-4:N[5]-3:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(C[5a]C[5a]S[5a])(H)	C[5,5](C[5]C[5,6a]C[5a]H)(O[5]C[5,6a])(C[5]O[5]HH)(N[5]C[5]S)	C[5,6a](C[5]C[5,5]C[5a]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(C[5a]C[5a]S[5a])(H){1|O<2>,1|S<4>,4|H<1>,5|C<3>}	C[5,5](C[5]C[5,6a]C[5a]H)(O[5]C[5,6a])(C[5]O[5]HH)(N[5]C[5]S){1|O<1>,1|S<2>,3|C<3>}	C[5,6a](C[5]C[5,5]C[5a]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	101.2040	0.000	1	101.2040	0.000	1	101.2040	0.000	1	101.3675	0.053	2	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	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[5,6a]-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[5,6a](C[5]C[5,5]C[6a]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	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[5,6a](C[5]C[5,5]C[6a]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	101.5310	0.000	1	101.5310	0.000	1	101.5310	0.000	1	101.3675	0.053	2	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	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[5,6a]-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[5,6a](C[5]C[5,5]C[6a]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	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[5,6a](C[5]C[5,5]C[6a]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	99.5727	0.000	1	99.5727	0.000	1	99.5727	0.000	1	99.5727	0.000	1	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	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[5,6a]-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[5,6a](C[5]C[5,5]C[6a]H)(C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)	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[5,6a](C[5]C[5,5]C[6a]H)(C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H){1|H<1>,1|O<2>,5|C<3>}	102.3150	0.000	1	102.3150	0.000	1	102.3150	0.000	1	102.3150	0.000	1	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:3:1:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:N-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(NHS)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HN)(C[5]N[5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HN)(C[6a]C[6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(NHS)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HN)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HN)(C[6a]C[6a]C){3|C<3>,4|H<1>}	103.5120	0.000	1	103.5120	0.000	1	103.5120	0.000	1	103.5120	0.000	1	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	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[5,6a]-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[5,6a](C[5]C[5,5]C[6a]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5]C[5,5]C[6a]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	101.9190	0.000	1	101.9190	0.000	1	101.9190	0.000	1	101.9190	0.000	1	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:3:1:	4:4:4:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:N-3:H-1:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(NCH)(H)	C[5,5](C[5,5]C[5,6a]2H)(C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HN)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(NCH)(H){4|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6a]2H)(C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H){4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HN)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	104.0810	0.000	1	104.0810	0.000	1	104.0810	0.000	1	104.0810	0.000	1	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:3:2:	4:4:2:3:	3:4:3:	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[5,6a]-3:C[5]-4: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[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]O)(C[6a]C[5,6a]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[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]O)(C[6a]C[5,6a]H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	101.0910	0.000	1	101.0910	0.000	1	101.0900	0.000	2	101.0900	0.000	2	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:3:2:	4:4:2:3:	3:4:3:	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[5,6a]-3:C[5]-4: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[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]C)(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[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	101.0890	0.000	1	101.0890	0.000	1	101.0900	0.000	2	101.0900	0.000	2	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:4:1:	3:4:2:2:	3:4:3:	C[5,6a]-3:C[5,5]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:O[5]-2:O[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]2)(CC[5a]HH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(O[5]C[5,6a])(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]2)(CC[5a]HH)(H){1|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(O[5]C[5,6a])(O[5]C[5]){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]CH)(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<2>,2|C<3>}	100.4250	0.000	1	100.4250	0.000	1	100.4250	0.000	1	100.4250	0.000	1	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:4:1:	3:4:3:3:	3:4:3:	C[5,6a]-3:C[5,5]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(CCHH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(CCHH)(H){1|H<1>,1|O<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[5]C[5]C){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]CH)(C[6a]C[6a]H){1|F<1>,1|H<1>,1|O<1>,3|C<3>}	102.3240	0.000	1	102.3240	0.000	1	102.3240	0.000	1	102.3240	0.000	1	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:4:1:	3:4:3:4:	3:4:3:	C[5,6a]-3:C[5,5]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(CCHH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(CCHH)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[5]C[5]CH){1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]CH)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	103.5870	0.000	1	103.5870	0.000	1	103.5870	0.000	1	103.5870	0.000	1	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:4:1:	3:4:4:4:	3:4:3:	C[5,6a]-3:C[5,5]-4:C-4:H-1:	N[5,5]-3:C[5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]C)(CH3)(H)	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CH)(C[5]C[5]HH)(CH3)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]C)(CH3)(H){1|C<4>,3|C<3>,3|H<1>}	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CH)(C[5]C[5]HH)(CH3){1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	102.1460	0.000	1	102.1460	0.000	1	102.1460	0.000	1	102.1460	0.000	1	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:4:1:	4:2:4:3:	3:4:3:	C[5,6a]-3:C[5,5]-4:C-4:H-1:	C[5]-4:O[5]-2:C[5]-4:N[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(CCHH)(H)	C[5,5](C[5]C[5,6a]CH)(O[5]C[5,6a])(C[5]O[5]HH)(N[5]C[5]S)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(CCHH)(H){1|O<2>,1|S<4>,3|C<3>,3|H<1>}	C[5,5](C[5]C[5,6a]CH)(O[5]C[5,6a])(C[5]O[5]HH)(N[5]C[5]S){1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]CH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	100.9980	0.000	1	100.9980	0.000	1	100.9980	0.000	1	100.9980	0.000	1	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:4:1:	4:2:4:4:	3:4:3:	C[5,6a]-3:C[5,5]-4:C-4:H-1:	C[5]-4:O[5]-2:C[5]-4:C[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(CCHH)(H)	C[5,5](C[5]C[5,6a]CH)(O[5]C[5,6a])(C[5]C[5]HH)(C[5]C[5]HO)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]CH)(C[6a]C[6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(CCHH)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5]C[5,6a]CH)(O[5]C[5,6a])(C[5]C[5]HH)(C[5]C[5]HO){2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]CH)(C[6a]C[6a]C){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	101.1350	0.000	1	101.1350	0.000	1	101.1350	0.000	1	101.1350	0.000	1	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:4:1:	4:4:2:3:	3:4:3:	C[5,6a]-3:C[5,5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:N[5]-2:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]C)(CCHH)(H)	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]CH)(N[5]C[5])(COO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]C)(CCHH)(H){1|O<2>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]CH)(N[5]C[5])(COO){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H){1|N<2>,1|O<2>,2|C<3>,3|H<1>}	103.7320	0.000	1	103.7320	0.000	1	103.7320	0.000	1	103.7320	0.000	1	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:4:1:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CCHH)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CCHH)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(C[5]C[5]O)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	100.7780	0.000	1	100.7780	0.000	1	102.5596	0.789	8	102.6788	0.818	9	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:4:1:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CCHH)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(C[5]O[5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CCHH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(C[5]O[5]O)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	102.8141	0.562	7	102.8141	0.316	7	102.5596	0.789	8	102.6788	0.818	9	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:4:1:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CCHH)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(N[5]C[6a]O[5])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CCHH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(N[5]C[6a]O[5])(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	103.6320	0.000	1	103.6320	0.000	1	103.6320	0.000	1	102.6788	0.818	9	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:4:1:	4:4:3:2:	3:4:3:	C[5,6a]-3:C[5,5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:N[5]-3:C-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]C)(CH3)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(N[5]C[5]H)(CN)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]C)(CH3)(H){2|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(N[5]C[5]H)(CN){2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	101.7560	0.000	2	101.7560	0.000	2	101.7560	0.000	2	101.7560	0.000	2	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:4:2:	3:4:3:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:C-4:O-2:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(CC[6]HH)(OC[6])	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CO)(N[5]C[5]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CO)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(CC[6]HH)(OC[6]){1|C<4>,2|H<1>,3|C<3>}	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CO)(N[5]C[5]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CO)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	102.4600	0.000	1	102.4600	0.000	1	101.5912	0.706	5	101.5912	0.706	5	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:4:2:	3:4:3:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:C-4:O-2:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(CC[6]HH)(OH)	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CO)(N[5]C[5]C[6])(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CO)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(CC[6]HH)(OH){1|H<1>,2|C<4>,3|C<3>}	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CO)(N[5]C[5]C[6])(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CO)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	102.3300	0.000	1	102.3300	0.000	1	101.5912	0.706	5	101.5912	0.706	5	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:4:2:	3:4:3:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:C-4:O-2:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(CC[6]HH)(OH)	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CO)(N[5]C[5]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CO)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(CC[6]HH)(OH){1|C<4>,2|H<1>,3|C<3>}	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CO)(N[5]C[5]H)(H){1|O<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CO)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	100.7280	0.143	2	100.7280	0.020	2	101.5912	0.706	5	101.5912	0.706	5	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:4:2:	3:4:3:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:C-4:O-2:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(CH3)(OH)	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CO)(N[5]C[5]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CO)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(CH3)(OH){1|C<4>,2|H<1>,3|C<3>}	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CO)(N[5]C[5]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CO)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	101.7100	0.000	1	101.7100	0.000	1	101.5912	0.706	5	101.5912	0.706	5	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:4:2:	3:4:3:3:	3:4:3:	C[5,6a]-3:C[5,5]-4:C-4:O-2:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(CH3)(OH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CO)(C[5]C[5,6a]O)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]CO)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(CH3)(OH){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CO)(C[5]C[5,6a]O)(C[5]C[5]C){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]CO)(C[6a]C[6a]H){1|F<1>,1|H<1>,1|O<1>,3|C<3>}	101.9910	0.000	1	101.9910	0.000	1	101.9910	0.000	1	101.9910	0.000	1	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:4:2:	4:3:4:3:	3:4:3:	C[5,6a]-3:C[5,5]-4:C-4:O-2:	C[5]-4:C[5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(CH3)(OH)	C[5,5](C[5]C[5,6a]CO)(C[5]C[5,6a]C)(C[5]C[5]HH)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]CO)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(CH3)(OH){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5,5](C[5]C[5,6a]CO)(C[5]C[5,6a]C)(C[5]C[5]HH)(C[5]O[5]O){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]CO)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	101.4915	0.158	2	101.4915	0.025	2	101.4915	0.025	2	101.4915	0.025	2	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:4:2:	4:4:4:1:	3:4:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-2:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(C[5]C[5]2H)(CN)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[5]C)(C[5]C[5]HH)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(C[5]C[5]2H)(CN){2|C<3>,4|C<4>,8|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[5]C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[5]C)(C[6a]C[6a]H){1|C<3>,4|C<4>,5|H<1>}	98.8279	0.000	1	98.8279	0.000	1	98.8279	0.000	1	98.8279	0.000	1	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:4:4:	3:4:2:3:	3:4:3:	C[5,6a]-3:C[5,5]-4:C-4:C-4:	N[5,5]-3:C[5]-4:O[5]-2:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]O[5]C)(CH3)2	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CC)(O[5]C[5])(CCH)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]O[5]C)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CC)(O[5]C[5])(CCH){2|C<3>,4|H<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	101.1710	0.000	1	100.4858	0.440	3	100.4858	0.440	3	100.4858	0.440	3	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:4:4:	3:4:2:3:	3:4:3:	C[5,6a]-3:C[5,5]-4:C-4:C-4:	N[5,5]-3:C[5]-4:O[5]-2:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]O[5]C)(CH3)2	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CC)(O[5]C[5])(CCH)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]O[5]C)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CC)(O[5]C[5])(CCH){2|C<3>,4|H<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,1|S<4>,2|C<3>}	99.8465	0.000	1	100.4858	0.440	3	100.4858	0.440	3	100.4858	0.440	3	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:4:4:	3:4:2:3:	3:4:3:	C[5,6a]-3:C[5,5]-4:C-4:C-4:	N[5,5]-3:C[5]-4:O[5]-2:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]O[5]C)(CH3)2	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CC)(O[5]C[5])(CCH)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]O[5]C)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CC)(O[5]C[5])(CCH){2|C<3>,4|H<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	100.4400	0.000	1	100.4858	0.440	3	100.4858	0.440	3	100.4858	0.440	3	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:4:4:	4:3:4:2:	3:4:3:	C[5,6a]-3:C[5,5]-4:C-4:C-4:	C[5]-4:N[5]-3:C[5]-4:O[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(CH3)2	C[5,5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(C[5]C[5]HH)(O[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(CH3)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(C[5]C[5]HH)(O[5]N[5]){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]CC)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	100.8320	0.000	1	100.8320	0.000	1	100.8320	0.000	1	100.8320	0.000	1	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:4:4:	4:4:2:1:	3:3:4:	C[5,6a]-3:C[5,5]-4:C-4:C-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CH3)2	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]CC)(O[5]B[5])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CH3)2{1|B<3>,1|O<2>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]CC)(O[5]B[5])(H){1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,5]CC){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	102.0072	0.417	4	102.2763	0.202	14	102.2763	0.202	14	102.2763	0.202	14	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	3:4:4:4:	4:4:2:1:	3:3:4:	C[5,6a]-3:C[5,5]-4:C-4:C-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CH3)2	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]CC)(O[5]B[5])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CH3)2{1|B<3>,1|O<2>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5,6a]O[5]H)(C[5]C[5,6a]CC)(O[5]B[5])(H){3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,5]CC){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	102.3839	0.435	10	102.2763	0.202	14	102.2763	0.202	14	102.2763	0.202	14	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:1:1:	3:3:4:3:	3:4:3:	C[5,5]-4:C[5,6a]-3:F-1:F-1:	N[5,5]-3:C[5,5]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,5]C[5,5]N[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(F)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)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]FF)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]N[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(F)2{1|H<1>,1|N<2>,2|C<4>,4|C<3>}	C[5,5](N[5,5]C[5,6a]C[5,5])(C[5,5]C[3x5]N[5])(C[5]C[5,6a]FF)(C[6a]C[6a]2){1|N<3>,2|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]FF)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	105.1590	0.000	1	105.1590	0.000	1	104.8283	0.110	3	104.2710	1.316	4	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:1:1:	3:3:4:3:	3:4:3:	C[5,5]-4:C[5,6a]-3:F-1:F-1:	N[5,5]-3:C[5,5]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,5]C[5,5]N[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(F)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)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]FF)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]N[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(F)2{1|C<4>,1|H<1>,1|N<2>,5|C<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){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]FF)(C[6a]C[6a]H){2|H<1>,4|C<3>}	104.6630	0.236	2	104.6630	0.056	2	104.8283	0.110	3	104.2710	1.316	4	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:1:1:	3:3:4:3:	3:4:3:	C[5,5]-4:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:N[5,5]-3:C[5]-4:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]S[5])(C[5]C[5,6a]HH)(COO)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,1|S<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]S[5])(C[5]C[5,6a]HH)(COO){1|H<1>,2|O<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>}	102.5990	0.000	1	102.5990	0.000	1	102.5990	0.000	1	104.2710	1.316	4	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:1:1:	3:3:4:4:	3:4:3:	C[5,5]-4:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-3:C[5]-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	102.3840	0.000	1	102.3840	0.000	1	102.3840	0.000	1	102.3530	0.441	3	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:1:1:	3:3:4:4:	3:4:3:	C[5,5]-4:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:N[5,5]-3:C[5]-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	102.3375	0.938	2	102.3375	0.880	2	102.3375	0.880	2	102.3530	0.441	3	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:1:1:	3:4:3:2:	3:4:3:	C[5,5]-4:C[5,6a]-3:H-1:H-1:	N[5,5]-3:C[5]-4:C[6a]-3:N[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,5]N[5,5]C[6a]N[5])(C[5,6a]C[5,6a]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])	C[5,6a](C[5,6a]C[6a,6a]N[5,5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	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[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[5,6a](C[5,6a]C[6a,6a]N[5,5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	103.5650	0.000	1	103.5650	0.000	1	103.5650	0.000	1	103.5650	0.000	1	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:1:1:	3:4:3:3:	3:4:3:	C[5,5]-4:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:N[5]-3:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(N[5]C[5,6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(H)2{1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(N[5]C[5,6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){3|C<3>,3|H<1>}	103.0880	0.000	1	103.0880	0.000	1	103.0880	0.000	1	103.0880	0.000	1	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:1:1:	3:4:4:1:	3:3:4:	C[5,5]-4:C[5,6a]-3:Br-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(Br)(H)	C[5,5](C[5,6a]C[5,6a]N[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]BrH)(H)	C[5,6a](C[5,6a]C[5,5]N[6a])(C[6a]C[6a,6a]H)(C[5]C[5,5]BrH)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(Br)(H){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	C[5,5](C[5,6a]C[5,6a]N[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]BrH)(H){1|Br<1>,1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]N[6a])(C[6a]C[6a,6a]H)(C[5]C[5,5]BrH){1|C<4>,2|H<1>,3|C<3>}	104.1808	0.513	6	104.1808	0.264	6	104.1808	0.264	6	104.1060	0.259	7	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:1:1:	3:4:4:1:	3:3:4:	C[5,5]-4:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,5](C[5,6a]C[5,6a]N[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H)	C[5,6a](C[5,6a]C[5,5]N[6a])(C[6a]C[6a,6a]H)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(H)2{1|C<4>,2|C<3>,2|H<1>,2|N<2>}	C[5,5](C[5,6a]C[5,6a]N[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H){1|N<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]N[6a])(C[6a]C[6a,6a]H)(C[5]C[5,5]HH){1|C<4>,2|H<1>,3|C<3>}	103.6570	0.000	1	103.6570	0.000	1	103.6570	0.000	1	104.1060	0.259	7	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:1:1:	3:4:4:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]2H)(C[5]C[5,6a]HH)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(H)2{2|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]2H)(C[5]C[5,6a]HH)(H){1|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){3|C<3>,4|H<1>}	104.4300	0.000	1	104.4300	0.000	1	104.4300	0.000	1	104.4300	0.000	1	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:1:1:	3:4:4:3:	3:4:3:	C[5,5]-4:C[5,6a]-3:H-1:H-1:	N[5,5a]-3:C[5]-4:C[5]-4:N[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,5]N[5,5a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(H)2	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[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5](C[5,5]N[5,5a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(H)2{2|C<4>,2|H<1>,5|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[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	104.0370	0.000	1	104.0370	0.000	1	104.0370	0.000	1	104.0370	0.000	1	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:1:1:	4:4:2:4:	3:4:3:	C[5,5]-4:C[5,6a]-3:H-1:H-1:	C[3,5]-4:C[5]-4:O[5]-2:C[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,5]C[3,5]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,5](C[3,5]C[3,5]C[3]C)(C[5]C[5,6a]HH)(O[5]C[5,6a])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5](C[5,5]C[3,5]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(H)2{2|C<3>,3|H<1>,4|C<4>}	C[5,5](C[3,5]C[3,5]C[3]C)(C[5]C[5,6a]HH)(O[5]C[5,6a])(C[5]C[5]HH){2|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	103.2605	0.763	2	103.2605	0.582	2	103.2605	0.582	2	103.2605	0.582	2	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:1:1:	4:4:3:2:	3:4:3:	C[5,5]-4:C[5,6a]-3:Br-1:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,5]C[5,5]C[6a]O[5])(C[5,6a]C[5,6a]C[6a])(Br)(H)	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[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]BrH)(C[6a]C[6a]H)	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[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[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]BrH)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	105.2850	0.000	1	105.2850	0.000	1	105.2850	0.000	1	105.2770	0.000	2	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:1:1:	4:4:3:2:	3:4:3:	C[5,5]-4:C[5,6a]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:N[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,5]C[5,5]C[6a]N[5])(C[5,6a]C[5,6a]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])	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[6a]N[5])(C[5,6a]C[5,6a]C[6a])(H)2{1|N<3>,2|H<1>,5|C<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]){2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	105.2690	0.000	1	105.2690	0.000	1	105.2690	0.000	1	105.2770	0.000	2	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:2:1:	3:3:4:4:	3:4:3:	C[5,5]-4:C[5,6a]-3:C-2:H-1:	C[5,6a]-3:N[5,5]-3:C[5]-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5,6a]C[5,6a]C[6a])(CC)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CH)(CH3)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5,6a]C[5,6a]C[6a])(CC)(H){1|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CH)(CH3){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	102.5780	0.051	2	102.5780	0.003	2	102.4060	0.090	3	102.4060	0.090	3	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:2:1:	3:3:4:4:	3:4:3:	C[5,5]-4:C[5,6a]-3:C-2:H-1:	C[5,6a]-3:N[5,5]-3:C[5]-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5,6a]C[5,6a]C[6a])(CN)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CH)(CH3)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5,6a]C[5,6a]C[6a])(CN)(H){1|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CH)(CH3){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	102.0620	0.000	1	102.0620	0.000	1	102.4060	0.090	3	102.4060	0.090	3	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:2:1:	3:4:3:2:	3:4:3:	C[5,5]-4:C[5,6a]-3:O-2:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(OH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HO)(C[5]C[5,6a]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HO)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(OH)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HO)(C[5]C[5,6a]O)(O[5]C[5]){1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HO)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	103.3887	0.728	7	103.3887	0.530	7	103.3887	0.530	7	103.3887	0.530	7	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:2:1:	3:4:4:2:	3:4:3:	C[5,5]-4:C[5,6a]-3:O-2:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])(OC)(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]HO)(OH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])(OC)(H){1|H<1>,1|O<2>,5|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]HO)(OH){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H){2|H<1>,2|O<2>,3|C<3>}	103.1795	1.944	2	103.1795	3.779	2	103.5768	1.857	4	103.5768	1.857	4	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:2:1:	3:4:4:2:	3:4:3:	C[5,5]-4:C[5,6a]-3:O-2:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])(OH)(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]HO)(OH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])(OH)(H){1|H<1>,1|O<2>,5|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]HO)(OH){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H){2|H<1>,2|O<2>,3|C<3>}	103.9740	1.078	2	103.9740	1.161	2	103.5768	1.857	4	103.5768	1.857	4	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:2:1:	4:4:2:3:	3:4:3:	C[5,5]-4:C[5,6a]-3:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C[6]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,5]C[5,5]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(OH)(H)	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5]C[5,6a]HO)(O[5]C[5,6])(C[6]N[6]2)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H)	C[5](C[5,5]C[5,5]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(OH)(H){2|H<1>,2|N<3>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5]C[5,6a]HO)(O[5]C[5,6])(C[6]N[6]2){2|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	102.6930	0.000	1	102.6930	0.000	1	102.6930	0.000	1	102.6930	0.000	1	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:3:1:	3:4:2:3:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:O[5]-2:N[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,5]C[5,6a]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(O[5]C[5,6a])(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(O[5]C[5,6a])(N[5]C[5]C){1|H<1>,1|O<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	101.4410	0.010	2	101.4410	0.000	2	101.4410	0.000	2	101.4410	0.000	2	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:3:1:	3:4:3:2:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:N[5]-3:O[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,5]C[5,6a]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(N[5]C[5]C[6])(O[5]C[5,6a])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(N[5]C[5]C[6])(O[5]C[5,6a]){1|O<1>,2|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<3>,4|C<3>}	102.1020	0.000	1	102.1020	0.000	1	102.1020	0.000	1	102.1020	0.000	1	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:3:1:	3:4:3:3:	3:4:3:	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[5,6a]-3:C[5]-4: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[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]H)	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[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	100.2150	0.000	1	100.2150	0.000	1	100.2150	0.000	1	100.2150	0.000	1	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:3:1:	3:4:4:1:	3:4:3:	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[5,6a]-3:C[5]-4: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[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	102.4350	0.000	1	101.8050	0.213	5	101.6225	0.401	11	101.6225	0.401	11	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:3:1:	3:4:4:1:	3:4:3:	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[5,6a]-3:C[5]-4: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[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	101.6475	0.344	4	101.8050	0.213	5	101.6225	0.401	11	101.6225	0.401	11	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:3:1:	3:4:4:1:	3:4:3:	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[5,6a]-3:C[5]-4: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[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]O)	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[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]O){1|C<4>,4|C<3>,4|H<1>}	101.5012	0.841	5	101.5012	0.707	5	101.6225	0.401	11	101.6225	0.401	11	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:3:1:	3:4:4:1:	3:4:3:	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[5,6a]-3:C[5]-4: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[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]O)	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[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	101.3170	0.000	1	101.3170	0.000	1	101.6225	0.401	11	101.6225	0.401	11	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:3:2:	3:4:4:2:	3:4:3:	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[5,6a]-3:C[5]-4: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[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]O)(C[6a]C[6a]O)	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[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]O)(C[6a]C[6a]O){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	102.4020	0.000	1	102.4020	0.000	1	102.4020	0.000	1	102.4020	0.000	1	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:3:3:	3:3:4:1:	3:4:3:	C[5,5]-4:C[5,6a]-3:C-3:C-3:	C[5,6a]-3:N[5,5]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,5]C[5,6a]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(COO)2	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CC)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(COO)2{1|C<4>,1|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CC)(H){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	103.0030	0.000	1	103.0030	0.000	1	103.0030	0.000	1	103.0030	0.000	1	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:3:3:	3:4:3:1:	3:4:3:	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[5,6a]-3:C[5]-4: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[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]C[6a]C)(C[6a]C[6a]H)	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[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]C[6a]C)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	101.2890	0.000	1	101.2890	0.000	1	101.2890	0.000	1	101.2890	0.000	1	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:4:1:	3:3:4:4:	3:4:3:	C[5,5]-4:C[5,6a]-3:C-4:H-1:	C[5,6a]-3:N[5,5]-3:C[5]-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5,6a]C[5,6a]C[6a])(CCHH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CH)(CCHH)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5,6a]C[5,6a]C[6a])(CCHH)(H){1|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CH)(CCHH){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	101.7225	0.032	2	101.7225	0.001	2	101.7225	0.001	2	101.7225	0.001	2	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:4:1:	3:4:2:3:	3:4:3:	C[5,5]-4:C[5,6a]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:O[5]-2:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(CCHH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(O[5]C[5,6a])(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]CH)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(O[5]C[5,6a])(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	100.7645	0.398	4	100.7645	0.158	4	100.7645	0.158	4	100.7645	0.158	4	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:4:1:	3:4:3:2:	3:4:3:	C[5,5]-4:C[5,6a]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(CCHH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[5]C[5,6a]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]CH)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[5]C[5,6a]O)(O[5]C[5]){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]CH)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	102.6160	0.000	1	102.6160	0.000	1	102.6160	0.000	1	102.6160	0.000	1	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,5]	C[5,6a]	4:3:4:2:	3:3:4:4:	3:4:3:	C[5,5]-4:C[5,6a]-3:C-4:C-2:	C[5,6a]-3:N[5,5]-3:C[5]-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5,6a]C[5,6a]C[6a])(CCHH)(CN)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CC)(CH3)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5,6a]C[5,6a]C[6a])(CCHH)(CN){1|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CC)(CH3){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	100.4023	0.640	3	100.4023	0.409	3	100.4023	0.409	3	100.4023	0.409	3	103.1049	2.142	276	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6,6]	C[5,6a]	4:3:1:1:	4:4:4:1:	3:4:3:	C[5,6,6]-4:C[5,6a]-3:H-1:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6,6](C[3x6]C[5,6,6]N[6,6]Cl)(C[5,6,6]C[5,6a]C[3x6]H)(C[5]C[5,6a]HH)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(H)2{1|Cl<1>,1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6,6](C[3x6]C[5,6,6]N[6,6]Cl)(C[5,6,6]C[5,6a]C[3x6]H)(C[5]C[5,6a]HH)(H){1|Cl<1>,1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	105.2445	0.180	2	105.2445	0.033	2	105.2445	0.033	2	104.7668	0.335	8	104.5153	1.800	17	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6,6]	C[5,6a]	4:3:1:1:	4:4:4:1:	3:4:3:	C[5,6,6]-4:C[5,6a]-3:H-1:H-1:	C[5,3x6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5,6a]C[5,6,6a]C[6a])(H)2	C[5,6,6](C[5,3x6]C[5,6,6a]C[4x6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]HH)(H)	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]C)	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5,6a]C[5,6,6a]C[6a])(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6a]C[4x6]H)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]HH)(H){2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]C){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	105.0950	0.000	1	105.0950	0.000	1	104.8210	0.150	2	104.7668	0.335	8	104.5153	1.800	17	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6,6]	C[5,6a]	4:3:1:1:	4:4:4:1:	3:4:3:	C[5,6,6]-4:C[5,6a]-3:H-1:H-1:	C[5,3x6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5,6a]C[5,6,6a]C[6a])(H)2	C[5,6,6](C[5,3x6]C[5,6,6a]C[4x6]O)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]HH)(H)	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]C)	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5,6a]C[5,6,6a]C[6a])(H)2{1|H<1>,2|C<3>,2|O<2>,3|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6a]C[4x6]O)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]HH)(H){2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]C){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	104.5470	0.000	1	104.5470	0.000	1	104.8210	0.150	2	104.7668	0.335	8	104.5153	1.800	17	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6,6]	C[5,6a]	4:3:1:1:	4:4:4:1:	3:4:3:	C[5,6,6]-4:C[5,6a]-3:H-1:H-1:	C[5,5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6,6]C[5,5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5])(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]HH)(H)	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]H)	C[5](C[5,6,6]C[5,5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5])(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]HH)(H){1|C<4>,4|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	104.6440	0.099	2	104.6440	0.010	2	104.6440	0.010	2	104.7668	0.335	8	104.5153	1.800	17	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6,6]	C[5,6a]	4:3:1:1:	4:4:4:1:	3:4:3:	C[5,6,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6,6](C[5,6,6]C[5,6a]C[3x6]C)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]HH)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6,6](C[5,6,6]C[5,6a]C[3x6]C)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5,6a]HH)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	105.1720	0.000	1	105.1720	0.000	1	104.3575	1.327	2	104.7668	0.335	8	104.5153	1.800	17	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6,6]	C[5,6a]	4:3:1:1:	4:4:4:1:	3:4:3:	C[5,6,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6,6](C[5,6,6]C[5,6a]C[3x6]H)(C[3x6]C[6,6]2C)(C[5]C[5,6a]HH)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(H)2{2|H<1>,3|C<3>,3|C<4>}	C[5,6,6](C[5,6,6]C[5,6a]C[3x6]H)(C[3x6]C[6,6]2C)(C[5]C[5,6a]HH)(H){2|C<2>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	103.5430	0.000	1	103.5430	0.000	1	104.3575	1.327	2	104.7668	0.335	8	104.5153	1.800	17	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6,6]	C[5,6a]	4:3:1:1:	4:4:4:3:	3:4:3:	C[5,6,6]-4:C[5,6a]-3:H-1:H-1:	C[3x6]-4:C[3x6]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6,6]C[3x6]2C[5])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6,6](C[3x6]C[6,6]2H)2(C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6,6]HH)(C[6a]C[6a]H)	C[5](C[5,6,6]C[3x6]2C[5])(C[5,6a]C[5,6a]C[6a])(H)2{1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[5,6,6](C[3x6]C[6,6]2H)2(C[5]C[5,6a]HH)(C[5]C[5,6a]O){2|C<3>,2|C<4>,8|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	106.2940	0.000	1	106.2940	0.000	1	106.2940	0.000	1	104.7319	3.170	7	104.5153	1.800	17	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6,6]	C[5,6a]	4:3:1:1:	4:4:4:3:	3:4:3:	C[5,6,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6a]H)(C[5,6]C[5,6a]C[5,6]H)(C[5]C[5,6a]HH)(C[6]C[5]C[6])	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]H)	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5,6a]C[5,6a]C[6a])(H)2{1|C<4>,3|H<1>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6a]H)(C[5,6]C[5,6a]C[5,6]H)(C[5]C[5,6a]HH)(C[6]C[5]C[6]){1|H<1>,4|C<4>,6|C<3>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	103.0680	0.000	2	103.0680	0.000	2	104.7520	3.781	4	104.7319	3.170	7	104.5153	1.800	17	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6,6]	C[5,6a]	4:3:1:1:	4:4:4:3:	3:4:3:	C[5,6,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C[6]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6a]H)(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]C[5,6]C)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]H)	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5,6a]C[5,6a]C[6a])(H)2{2|C<4>,3|H<1>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6]C[5,6a]H)(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]C[5,6]C){1|H<1>,3|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	106.4360	0.000	2	106.4360	0.000	2	104.7520	3.781	4	104.7319	3.170	7	104.5153	1.800	17	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6,6]	C[5,6a]	4:3:1:1:	4:4:4:3:	3:4:3:	C[5,6,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C[6]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[5]C[5,6a]HH)(C[6]C[6]HH)(C[6]N[6]H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]H)	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[5,6a]C[6a])(H)2{1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[5]C[5,6a]HH)(C[6]C[6]HH)(C[6]N[6]H){2|C<3>,3|C<4>,6|H<1>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	102.5170	0.000	1	102.5170	0.000	1	102.5170	0.000	1	104.7319	3.170	7	104.5153	1.800	17	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6,6]	C[5,6a]	4:3:1:1:	4:4:4:3:	3:4:3:	C[5,6,6]-4:C[5,6a]-3:H-1:H-1:	C[5]-4:C[6,6]-4:C[6,6]-4:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6,6]C[6,6]2C[5])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6,6](C[5]C[5,6a]HH)(C[6,6]C[6]2H)2(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6,6]HH)(C[6a]C[6a]H)	C[5](C[5,6,6]C[6,6]2C[5])(C[5,6a]C[5,6a]C[6a])(H)2{1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[5,6,6](C[5]C[5,6a]HH)(C[6,6]C[6]2H)2(C[5]C[5,6a]O){2|C<3>,2|C<4>,8|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	105.3040	0.000	1	105.3040	0.000	1	105.3040	0.000	1	104.7319	3.170	7	104.5153	1.800	17	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6,6]	C[5,6a]	4:3:1:1:	4:4:4:4:	3:4:3:	C[5,6,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[5]C[5,6a]HH)(C[6]C[6]HH)(C[6]N[6]HH)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]H)	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[5,6a]C[6a])(H)2{1|N<3>,2|C<3>,3|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[5]C[5,6a]HH)(C[6]C[6]HH)(C[6]N[6]HH){2|C<4>,3|C<3>,6|H<1>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]H){1|C<3>,2|H<1>,4|C<4>}	102.3150	0.000	1	102.3150	0.000	1	102.3150	0.000	1	102.3150	0.000	1	104.5153	1.800	17	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6,6]	C[5,6a]	4:3:2:1:	4:4:4:3:	3:4:3:	C[5,6,6]-4:C[5,6a]-3:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:C[6]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[5,6a]C[6a])(OH)(H)	C[5,6,6](C[5,6]C[5,6a]C[6]H)(C[6,6]N[5,6]C[6]O)(C[5]C[5,6a]HO)(C[6]C[6]O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6,6]HO)(C[6a]C[6a]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[5,6a]C[6a])(OH)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6,6](C[5,6]C[5,6a]C[6]H)(C[6,6]N[5,6]C[6]O)(C[5]C[5,6a]HO)(C[6]C[6]O){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6,6]HO)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	103.1880	0.000	1	103.1880	0.000	1	103.1880	0.000	1	103.1880	0.000	1	104.5153	1.800	17	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,5a]	3:4:1:1:	4:4:4:1:	3:3:4:	C[5,5a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,5a]C[6,6]C)(C[5]C[5,5a]HH)(C[6]C[6]HH)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]N[5a])(C[5]C[5,6]HH)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,5a]C[6,6]C)(C[5]C[5,5a]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]N[5a])(C[5]C[5,6]HH){2|C<3>,2|H<1>,4|C<4>}	100.0490	0.000	1	99.5539	0.092	10	99.7979	0.738	11	99.7496	0.574	16	99.6647	1.089	26	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,5a]	3:4:1:1:	4:4:4:1:	3:3:4:	C[5,5a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,5a]C[6,6]C)(C[5]C[5,5a]HH)(C[6]C[6]HH)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]N[5a])(C[5]C[5,6]HH)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,5a]C[6,6]C)(C[5]C[5,5a]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]N[5a])(C[5]C[5,6]HH){2|C<3>,3|C<4>,3|H<1>}	99.4989	0.263	9	99.5539	0.092	10	99.7979	0.738	11	99.7496	0.574	16	99.6647	1.089	26	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,5a]	3:4:1:1:	4:4:4:1:	3:3:4:	C[5,5a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(H)2	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[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]N[5a])(C[5]C[5,6]HH)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	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[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]N[5a])(C[5]C[5,6]HH){2|C<4>,3|C<3>,3|H<1>}	102.2380	0.000	1	102.2380	0.000	1	99.7979	0.738	11	99.7496	0.574	16	99.6647	1.089	26	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,5a]	3:4:1:1:	4:4:4:1:	3:3:4:	C[5,5a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6,6]H)(H)2	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,5a]HH)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]N[5a])(C[5]C[5,6]HH)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6,6]H)(H)2{1|N<3>,2|C<3>,5|C<4>}	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,5a]HH)(H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]N[5a])(C[5]C[5,6]HH){1|Si<4>,2|C<3>,2|H<1>,3|C<4>}	99.5001	0.000	2	99.2973	0.123	3	99.6432	0.286	5	99.7496	0.574	16	99.6647	1.089	26	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,5a]	3:4:1:1:	4:4:4:1:	3:3:4:	C[5,5a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6,6]H)(H)2	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,5a]HH)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]N[5a])(C[5]C[5,6]HH)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6,6]H)(H)2{1|N<3>,2|C<3>,5|C<4>}	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,5a]HH)(H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]N[5a])(C[5]C[5,6]HH){2|C<3>,3|C<4>,3|H<1>}	98.8918	0.000	1	99.2973	0.123	3	99.6432	0.286	5	99.7496	0.574	16	99.6647	1.089	26	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,5a]	3:4:1:1:	4:4:4:1:	3:3:4:	C[5,5a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6,6]H)(H)2	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5a]HH)(H)	C[5,5a](C[5a,6a]C[5,5a,6a]C[6a])(C[5,5a]N[5,5a]C[5,6])(C[5]C[5,6]HH)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6,6]H)(H)2{1|H<1>,1|N<3>,2|C<3>,4|C<4>}	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5a]HH)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[5,5a](C[5a,6a]C[5,5a,6a]C[6a])(C[5,5a]N[5,5a]C[5,6])(C[5]C[5,6]HH){2|C<3>,2|H<1>,4|C<4>}	100.1620	0.000	2	100.1620	0.000	2	99.6432	0.286	5	99.7496	0.574	16	99.6647	1.089	26	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,5a]	3:4:2:1:	4:4:4:1:	3:3:4:	C[5,5a]-3:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(OC)(H)	C[5,6](C[5,6]C[5,5a]C[6,6]C)(C[5]C[5,5a]HO)(C[6]C[6]HH)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5,5a]C[5,6]N[5a])(C[5]C[5,6]HO)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(OC)(H){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,5a]C[6,6]C)(C[5]C[5,5a]HO)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5,5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5,5a]C[5,6]N[5a])(C[5]C[5,6]HO){2|C<3>,2|H<1>,4|C<4>}	100.1400	0.000	1	100.1400	0.000	1	100.1400	0.000	1	100.1400	0.000	1	99.6647	1.089	26	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,5a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[5,5a]-3:C[5,6]-4:S-4:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]N[6]H)(SC[6a]OO)(H)	C[5,6](C[5,6]C[5,5a]C[6]H)(C[5]C[5,5a]HS)(N[6]C[6]C)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]N[5a])(C[5]C[5,6]HS)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]N[6]H)(SC[6a]OO)(H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[5,6](C[5,6]C[5,5a]C[6]H)(C[5]C[5,5a]HS)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]N[5a])(C[5]C[5,6]HS){1|C<4>,1|N<3>,1|S<4>,2|C<3>,3|H<1>}	101.7110	0.000	1	101.7110	0.000	1	101.7110	0.000	1	101.7110	0.000	1	99.6647	1.089	26	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,5a]	3:4:4:4:	3:4:4:1:	3:3:4:	C[5,5a]-3:C[5,6]-4:C-4:C-4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5,6]C[6]H)(CH3)2	C[5,6](C[5,6]C[5,5a]C[6])(C[5]C[5,5a]CC)(C[6]C[6]HH)(H)	C[5,5a](C[5,5a]C[5a,6a]C[5,6])(N[5a]C[5a,6a]H)(C[5]C[5,6]CC)	C[5](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5,6]C[6]H)(CH3)2{1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,5a]C[6])(C[5]C[5,5a]CC)(C[6]C[6]HH)(H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5,6])(N[5a]C[5a,6a]H)(C[5]C[5,6]CC){1|C<4>,1|H<1>,3|C<3>}	98.4972	0.000	1	98.4972	0.000	1	98.4972	0.000	1	98.4972	0.000	1	99.6647	1.089	26	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,5a]	4:3:1:1:	3:4:4:3:	3:4:3:	C[5,6]-4:C[5,5a]-3:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:C-3:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5,5a]C[5,5a]C[5a])(H)2	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[5,5a](C[5,5a]C[5,6]S[5a])(C[5]C[5,6]HH)(C[5a]C[5a]H)	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[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[5,5a](C[5,5a]C[5,6]S[5a])(C[5]C[5,6]HH)(C[5a]C[5a]H){1|N<3>,2|C<3>,2|H<1>}	102.2580	0.000	1	102.2580	0.000	1	102.2580	0.000	1	102.2580	0.000	1	99.6647	1.089	26	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,5a]	4:3:1:1:	4:4:4:1:	3:4:2:	C[5,6]-4:C[5,5a]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,5a]-3:C[5]-4:N[5a]-2:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5a]C[5,5a]N[5a])(H)2	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5a]HH)(H)	C[5,5a](C[5,5a]C[5,6]N[5a])(C[5]C[5,6]HH)(N[5a]N[5a])	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5a]C[5,5a]N[5a])(H)2{1|H<1>,1|N<2>,1|N<3>,4|C<4>}	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5a]HH)(H){1|C<3>,2|C<4>,2|N<2>,5|H<1>}	C[5,5a](C[5,5a]C[5,6]N[5a])(C[5]C[5,6]HH)(N[5a]N[5a]){1|C<3>,1|H<1>,3|C<4>}	98.9262	0.298	4	98.9262	0.089	4	98.9262	0.089	4	98.9262	0.089	4	99.6647	1.089	26	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,5a]	4:3:1:1:	4:4:4:1:	3:4:3:	C[5,6]-4:C[5,5a]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5a]C[5,5a]C[5a])(H)2	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5a]HH)(H)	C[5,5a](C[5,5a]C[5,6]N[5a])(C[5]C[5,6]HH)(C[5a]N[5a]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5a]C[5,5a]C[5a])(H)2{1|N<2>,1|N<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5a]HH)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[5,5a](C[5,5a]C[5,6]N[5a])(C[5]C[5,6]HH)(C[5a]N[5a]H){1|H<1>,4|C<4>}	99.1226	0.000	1	99.1226	0.000	1	99.1226	0.000	1	98.4891	0.803	2	99.6647	1.089	26	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,5a]	4:3:1:1:	4:4:4:1:	3:4:3:	C[5,6]-4:C[5,5a]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,5a]-3:C[5]-4:N[5a]-3:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5a]C[5,5a]N[5a])(H)2	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5a]HH)(H)	C[5,5a](C[5,5a]C[5,6]C[5a])(C[5]C[5,6]HH)(N[5a]N[5a]C)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,5a]C[5,5a]N[5a])(H)2{1|H<1>,1|N<2>,2|C<3>,4|C<4>}	C[5,6](C[5,6]C[5,5a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5a]HH)(H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[5,5a](C[5,5a]C[5,6]C[5a])(C[5]C[5,6]HH)(N[5a]N[5a]C){1|H<1>,4|C<4>}	97.8557	0.000	1	97.8557	0.000	1	97.8557	0.000	1	98.4891	0.803	2	99.6647	1.089	26	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:1:	3:4:3:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:N[6]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(H)2	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(N[6]C[6]C)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(N[6]C[6]C)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	102.7410	0.000	1	102.7410	0.000	1	102.7410	0.000	1	101.5950	1.083	3	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:1:	3:4:3:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(H)2	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]N[6]O)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]N[6]O)(H){1|O<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){2|H<1>,4|C<3>}	101.0220	0.443	2	101.0220	0.196	2	101.0220	0.196	2	101.5950	1.083	3	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:1:	3:4:3:2:	3:4:3:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-3:S-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]S)(H)2	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]N[6]O)(SC)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]S)(H)2{1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]N[6]O)(SC){1|O<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|H<1>,1|O<2>,1|S<2>,3|C<3>}	103.2760	0.000	1	103.2760	0.000	1	103.2760	0.000	1	103.2760	0.000	1	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:1:	3:4:3:4:	3:4:3:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6a]C[6])(CH3)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2{1|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6a]C[6])(CH3){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	103.7890	0.000	1	103.7890	0.000	1	103.7890	0.000	1	103.7890	0.000	1	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:1:	3:4:4:1:	3:3:4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]O[6]CC)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5a,6a]H)(C[5]C[5,6]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]O[6]CC)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5a,6a]H)(C[5]C[5,6]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	103.1670	0.000	1	103.1670	0.000	1	103.1670	0.000	1	103.1670	0.000	1	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:1:	3:4:4:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]O[6]CC)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]O[6]CC)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	103.6636	0.484	5	103.6636	0.234	5	103.6636	0.234	5	103.2016	0.589	9	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:1:	3:4:4:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(H)2	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	102.0030	0.000	1	102.5880	0.684	2	102.4173	0.430	3	103.2016	0.589	9	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:1:	3:4:4:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(H)2	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	103.1730	0.000	1	102.5880	0.684	2	102.4173	0.430	3	103.2016	0.589	9	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:1:	3:4:4:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(H)2	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6]HO)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	102.0760	0.000	1	102.0760	0.000	1	102.4173	0.430	3	103.2016	0.589	9	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:1:	3:4:4:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(H)2	C[5,6](N[5,6]C[5,6a]C[6,6a])(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6](N[5,6]C[5,6a]C[6,6a])(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(H){1|C<4>,1|H<1>,6|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	103.2440	0.000	1	103.2440	0.000	1	103.2440	0.000	1	103.2016	0.589	9	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:1:	4:2:2:4:	3:3:4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:O[5]-2:O[6]-2:C[6]-4:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6]O[5]O[6])(H)2	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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)	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>}	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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[5,6]HH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	102.0520	0.000	1	102.0520	0.000	1	102.0520	0.000	1	102.0520	0.000	1	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:1:	4:2:2:4:	3:4:3:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:O[5]-2:O[6]-2:C[6]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]O[6])(H)2	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[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	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>}	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[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	102.6540	0.092	2	102.3365	0.170	4	102.3365	0.170	4	102.3365	0.170	4	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:1:	4:2:2:4:	3:4:3:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:O[5]-2:O[6]-2:C[6]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]O[6])(H)2	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[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	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>}	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[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	102.0190	0.314	2	102.3365	0.170	4	102.3365	0.170	4	102.3365	0.170	4	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:1:	4:2:3:3:	3:4:3:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:O[5]-2:C[6]-3:C[6]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(H)2	C[5,6](C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]H)(C[6]C[6]O)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(H)2{1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]H)(C[6]C[6]O){1|C<4>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|S<2>,3|C<3>}	102.2300	0.000	1	102.2300	0.000	1	102.2300	0.000	1	103.8525	5.262	4	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:1:	4:2:3:3:	3:4:3:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:O[5]-2:C[6]-3:N[6]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[6]O[5])(H)2	C[5,6](C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]N[6]O)(N[6]C[6]H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[6]O[5])(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]N[6]O)(N[6]C[6]H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	102.9920	0.703	2	102.9920	0.494	2	102.9920	0.494	2	103.8525	5.262	4	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:1:	4:2:3:3:	3:4:3:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:S[5]-2:C[6]-3:N[6]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[6]S[5])(H)2	C[5,6](C[5]C[5,6a]HH)(S[5]C[5,6a])(C[6]N[6]O)(N[6]C[6]H)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[6]S[5])(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5]C[5,6a]HH)(S[5]C[5,6a])(C[6]N[6]O)(N[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	107.1960	0.000	1	107.1960	0.000	1	107.1960	0.000	1	103.8525	5.262	4	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:1:	4:3:4:3:	3:4:3:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2C[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)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	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[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	103.3050	0.000	1	103.3050	0.000	1	103.3050	0.000	1	104.1870	1.556	2	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:1:	4:3:4:3:	3:4:3:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:C[5]-3:C[6]-4:C[6]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(H)2	C[5,6](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6]C[6]HH)(C[6]C[6]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(H)2{1|C<4>,2|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>}	105.0690	0.000	1	105.0690	0.000	1	105.0690	0.000	1	104.1870	1.556	2	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:1:	4:3:4:4:	3:4:3:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:N[5]-3:C[6]-4:C[6]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5])(H)2	C[5,6](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[6]C[6]HH)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5])(H)2{2|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[6]C[6]HH)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	103.4895	0.380	2	103.4895	0.144	2	103.4895	0.144	2	103.4895	0.144	2	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:1:	4:4:2:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(H)2	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	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>}	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	103.1695	0.200	4	103.3084	0.126	5	103.3084	0.126	5	103.3417	0.108	6	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:1:	4:4:2:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(H)2	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	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>}	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	103.8640	0.000	1	103.3084	0.126	5	103.3084	0.126	5	103.3417	0.108	6	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:1:	4:4:2:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:Se[6]-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]Se[6]H)(H)2	C[5,6](C[5,6]C[5,6a]N[6,6]H)(C[5]C[5,6a]HH)(Se[6]C[6,6a])(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]Se[6]H)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]N[6,6]H)(C[5]C[5,6a]HH)(Se[6]C[6,6a])(H){5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|Se<2>,1|C<3>,1|N<3>,4|H<1>}	103.5080	0.000	1	103.5080	0.000	1	103.5080	0.000	1	103.3417	0.108	6	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:1:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]C[6,6a]C)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2{2|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]C[6,6a]C)(H){5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){3|C<3>,4|H<1>}	102.1700	0.000	1	102.1700	0.000	1	102.1700	0.000	1	103.7986	2.783	7	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:1:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(H)2	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(H)2{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]H)(H){1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|N<3>,2|C<3>,4|H<1>}	103.1440	0.000	1	103.1440	0.000	1	104.0700	2.720	6	103.7986	2.783	7	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:1:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(H)2	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(H)2{1|C<4>,1|S<4>,2|H<1>,3|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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	102.3160	0.000	2	102.3160	0.000	2	104.0700	2.720	6	103.7986	2.783	7	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:1:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(H)2	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(H)2{1|H<1>,2|C<4>,4|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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	105.5480	0.138	3	105.5480	0.019	3	104.0700	2.720	6	103.7986	2.783	7	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:1:	4:4:3:2:	3:4:3:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[5]-3:O[6]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(H)2	C[5,6](C[5]C[5,6a]HH)(C[6]C[6,6a]CH)(C[5]C[5,6a]O)(O[6]C[6])	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	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>}	C[5,6](C[5]C[5,6a]HH)(C[6]C[6,6a]CH)(C[5]C[5,6a]O)(O[6]C[6]){1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	104.0905	0.378	2	104.0905	0.143	2	104.0905	0.143	2	104.0905	0.143	2	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:1:	4:4:3:3:	3:4:3:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]C[6]H)(CNO)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]C[6]H)(CNO){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	104.2380	0.000	1	104.2380	0.000	1	103.4253	0.499	3	102.5600	1.038	19	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:1:	4:4:3:3:	3:4:3:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]C[6]H)(COO)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]C[6]H)(COO){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	102.9610	0.000	1	102.9610	0.000	1	103.4253	0.499	3	102.5600	1.038	19	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:1:	4:4:3:3:	3:4:3:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2	C[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]HH)(C[6]C[6a]C[6])(COO)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2{1|H<1>,1|O<2>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]HH)(C[6]C[6a]C[6])(COO){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	103.0770	0.000	1	103.0770	0.000	1	103.4253	0.499	3	102.5600	1.038	19	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:1:	4:4:3:3:	3:4:3:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-3:C[6]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(H)2	C[5,6](C[5]C[5,6a]HH)2(C[6]C[6]O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(H)2{2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[5,6](C[5]C[5,6a]HH)2(C[6]C[6]O)2{1|C<4>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|N<2>,1|S<2>,2|C<3>,3|H<1>}	104.4660	0.000	1	104.4660	0.000	1	103.7610	0.994	2	102.5600	1.038	19	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:1:	4:4:3:3:	3:4:3:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-3:C[6]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(H)2	C[5,6](C[5]C[5,6a]HH)2(C[6]C[6]O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]N[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(H)2{1|C<3>,1|N<2>,2|C<4>,2|O<1>,3|H<1>}	C[5,6](C[5]C[5,6a]HH)2(C[6]C[6]O)2{1|C<4>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]N[6a]H){3|C<3>,3|H<1>}	103.0560	0.000	1	103.0560	0.000	1	103.7610	0.994	2	102.5600	1.038	19	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:1:	4:4:3:3:	3:4:3:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-3:N[6]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]N[6])(H)2	C[5,6](C[5]C[5,6a]HH)2(C[6]N[6]O)(N[6]C[6]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]N[6])(H)2{1|C<2>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5]C[5,6a]HH)2(C[6]N[6]O)(N[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]C){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	102.1843	1.174	3	102.6150	1.661	4	102.2030	0.752	14	102.5600	1.038	19	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:1:	4:4:3:3:	3:4:3:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-3:N[6]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]N[6])(H)2	C[5,6](C[5]C[5,6a]HH)2(C[6]N[6]O)(N[6]C[6]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]N[6])(H)2{1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,6](C[5]C[5,6a]HH)2(C[6]N[6]O)(N[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]C){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	103.9070	0.000	1	102.6150	1.661	4	102.2030	0.752	14	102.5600	1.038	19	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:1:	4:4:3:3:	3:4:3:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-3:N[6]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]N[6])(H)2	C[5,6](C[5]C[5,6a]HH)2(C[6]N[6]O)(N[6]C[6]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]N[6])(H)2{1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5,6](C[5]C[5,6a]HH)2(C[6]N[6]O)(N[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|C<3>,3|H<1>}	101.4950	0.000	1	101.4475	0.005	2	102.2030	0.752	14	102.5600	1.038	19	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:1:	4:4:3:3:	3:4:3:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-3:N[6]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]N[6])(H)2	C[5,6](C[5]C[5,6a]HH)2(C[6]N[6]O)(N[6]C[6]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]N[6])(H)2{1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5,6](C[5]C[5,6a]HH)2(C[6]N[6]O)(N[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	101.4000	0.000	1	101.4475	0.005	2	102.2030	0.752	14	102.5600	1.038	19	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:1:	4:4:3:3:	3:4:3:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-3:N[6]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]N[6])(H)2	C[5,6](C[5]C[5,6a]HH)2(C[6]N[6]O)(N[6]C[6]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]N[6])(H)2{1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5]C[5,6a]HH)2(C[6]N[6]O)(N[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]O){1|C<2>,1|N<3>,2|C<3>,3|H<1>}	102.1557	0.851	3	102.1859	0.423	8	102.2030	0.752	14	102.5600	1.038	19	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:1:	4:4:3:3:	3:4:3:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-3:N[6]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]N[6])(H)2	C[5,6](C[5]C[5,6a]HH)2(C[6]N[6]O)(N[6]C[6]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]N[6])(H)2{1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5]C[5,6a]HH)2(C[6]N[6]O)(N[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]O){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	101.9305	0.069	4	102.1859	0.423	8	102.2030	0.752	14	102.5600	1.038	19	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:1:	4:4:3:3:	3:4:3:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-3:N[6]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]N[6])(H)2	C[5,6](C[5]C[5,6a]HH)2(C[6]N[6]O)(N[6]C[6]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]N[6])(H)2{1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5]C[5,6a]HH)2(C[6]N[6]O)(N[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]O){1|N<3>,3|C<3>,3|H<1>}	103.2980	0.000	1	102.1859	0.423	8	102.2030	0.752	14	102.5600	1.038	19	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:1:	4:4:3:4:	3:4:3:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	103.1180	0.530	2	103.1180	0.281	2	103.1640	0.147	3	103.1640	0.147	3	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:1:	4:4:3:4:	3:4:3:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2	C[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]HH)(C[6]C[6]O)(CH3)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]HH)(C[6]C[6]O)(CH3){1|C<4>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	103.2560	0.000	1	103.2560	0.000	1	103.1640	0.147	3	103.1640	0.147	3	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:1:	4:4:4:1:	3:4:2:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[5](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]HH)(C[6]C[6]HH)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(N[6a]C[6a])	C[5](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5,6]C[6]H)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]HH)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	102.6860	0.000	1	102.6860	0.000	1	102.6860	0.000	1	102.6860	0.000	1	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:1:	4:4:4:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2H)(H)2	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2H)(H)2{1|C<4>,1|N<3>,3|C<3>,3|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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	103.5070	1.105	2	103.5070	1.220	2	103.5070	1.220	2	102.7292	0.526	16	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:1:	4:4:4:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]O[6]CH)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]O[6]CH)(H){1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	102.7090	0.000	1	102.7090	0.000	1	102.4020	0.479	6	102.7292	0.526	16	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:1:	4:4:4:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2{2|C<4>,3|C<3>,3|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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	102.3535	0.279	2	102.0425	0.168	4	102.4020	0.479	6	102.7292	0.526	16	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:1:	4:4:4:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2{2|C<4>,3|C<3>,3|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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	101.7315	0.197	2	102.0425	0.168	4	102.4020	0.479	6	102.7292	0.526	16	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:1:	4:4:4:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6]C[6]HH)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6]C[6]HH)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	103.5330	0.000	1	103.5330	0.000	1	102.4020	0.479	6	102.7292	0.526	16	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:1:	4:4:4:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2{1|N<3>,3|H<1>,4|C<3>}	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	103.8640	0.000	1	103.8640	0.000	1	102.8457	0.361	7	102.7292	0.526	16	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:1:	4:4:4:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,6a]C[6]H)(C[6]C[6a]O[6]H)(C[5]C[5,6a]HH)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2{1|O<2>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[6]C[6a]O[6]H)(C[5]C[5,6a]HH)(H){1|S<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	102.8370	0.000	1	102.8370	0.000	1	102.8457	0.361	7	102.7292	0.526	16	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:1:	4:4:4:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2	C[5,6](C[5,6]C[5,6a]N[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2{1|N<3>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]N[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(H){1|H<1>,1|S<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	102.0800	0.000	1	102.0800	0.000	1	102.8457	0.361	7	102.7292	0.526	16	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:1:	4:4:4:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2	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)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2{1|C<4>,1|O<2>,3|C<3>,3|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>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	103.0165	0.237	2	102.7848	0.177	4	102.8457	0.361	7	102.7292	0.526	16	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:1:	4:4:4:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2	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)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2{1|C<4>,1|O<2>,3|C<3>,3|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>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	102.9130	0.000	1	102.7848	0.177	4	102.8457	0.361	7	102.7292	0.526	16	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:1:	4:4:4:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2	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)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)2{1|O<2>,3|H<1>,4|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>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	102.1930	0.000	1	102.7848	0.177	4	102.8457	0.361	7	102.7292	0.526	16	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:1:	4:4:4:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	N[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(H)2	C[5,6](N[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]C[6]CO)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](N[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]C[6]CO)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	102.3210	0.000	1	102.3210	0.000	1	102.3210	0.000	1	102.7292	0.526	16	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:1:	4:4:4:3:	3:4:3:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2	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)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2{1|C<4>,1|O<2>,3|C<3>,3|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>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	105.1830	0.000	1	105.1830	0.000	1	105.1830	0.000	1	105.1830	0.000	1	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:1:	4:4:4:4:	3:3:4:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2	C[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6]O[6]CH)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,6]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6]O[6]CH)(CC[6a]HH){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,6]HH){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	104.6190	0.000	1	104.6190	0.000	1	104.6190	0.000	1	104.6190	0.000	1	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:1:	4:4:4:4:	3:4:3:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2	C[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6]O[6]CH)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6]O[6]CH)(CC[6a]HH){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	103.2880	0.000	1	103.2880	0.000	1	103.4075	1.304	4	103.8743	0.679	10	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:1:	4:4:4:4:	3:4:3:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2	C[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6]O[6]CH)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6]O[6]CH)(CC[6a]HH){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]O){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	104.3760	0.000	1	104.3760	0.000	1	103.4075	1.304	4	103.8743	0.679	10	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:1:	4:4:4:4:	3:4:3:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2	C[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6]O[6]CH)(CH3)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6]O[6]CH)(CH3){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	104.1230	0.000	1	104.1230	0.000	1	103.4075	1.304	4	103.8743	0.679	10	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:1:	4:4:4:4:	3:4:3:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2	C[5,6](C[5,6]C[5,6a]O[6]H)(C[5]C[5,6a]HH)(C[6]N[6]HH)(CCHH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(H)2{1|N<3>,1|O<2>,2|C<3>,4|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>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	101.8430	0.000	1	101.8430	0.000	1	103.4075	1.304	4	103.8743	0.679	10	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:1:	4:4:4:4:	3:4:3:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(H)2	C[5,6](C[5]C[5,6a]HH)2(C[6]C[6,6a]HO)(C[6]C[6]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(H)2{1|C<4>,1|O<2>,3|C<3>,6|H<1>}	C[5,6](C[5]C[5,6a]HH)2(C[6]C[6,6a]HO)(C[6]C[6]HH){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	104.4193	0.111	4	104.4193	0.012	4	104.1855	0.148	6	103.8743	0.679	10	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:1:1:	4:4:4:4:	3:4:3:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(H)2	C[5,6](C[5]C[5,6a]HH)2(C[6]C[6]HH)(C[6]C[6]HO)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(H)2{1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5]C[5,6a]HH)2(C[6]C[6]HH)(C[6]C[6]HO){1|C<4>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	103.7180	0.222	2	103.7180	0.049	2	104.1855	0.148	6	103.8743	0.679	10	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:2:1:	3:4:4:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:O-2:H-1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(OSi)(H)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HO)(C[6]O[6]CC)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HO)(C[6a]C[6a]Br)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(OSi)(H){1|Br<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HO)(C[6]O[6]CC)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HO)(C[6a]C[6a]Br){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	103.7810	0.000	1	103.7810	0.000	1	103.7810	0.000	1	103.7810	0.000	1	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:2:1:	4:2:2:4:	3:4:3:	C[5,6a]-3:C[5,6]-4:O-2:H-1:	C[5]-4:O[5]-2:O[6]-2:C[6]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]O[6])(OH)(H)	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[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HO)(C[6a]C[6a]H)	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>}	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[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HO)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	101.9284	0.484	7	101.9284	0.235	7	101.9284	0.235	7	101.9284	0.235	7	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:2:1:	4:4:4:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(OH)(H)	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]HO)(C[6]C[6]CC)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HO)(C[6a]C[6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(OH)(H){3|C<3>,5|C<4>}	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]HO)(C[6]C[6]CC)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HO)(C[6a]C[6a]C){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	102.1350	0.000	1	102.1350	0.000	1	102.1350	0.000	1	102.1350	0.000	1	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:3:1:	4:3:3:3:	3:4:3:	C[5,6a]-3:C[5,6]-4:C-3:H-1:	C[5]-4:C[5]-3:C[6]-3:C[6]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(COO)(H)	C[5,6](C[5]C[5,6a]CH)(C[5]C[5,6a]C)(C[6]C[6,6a]O)(C[6]C[6]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(COO)(H){1|O<1>,2|H<1>,5|C<3>}	C[5,6](C[5]C[5,6a]CH)(C[5]C[5,6a]C)(C[6]C[6,6a]O)(C[6]C[6]H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]CH)(C[6a]C[6a]H){2|H<1>,4|C<3>}	104.9805	0.630	2	104.9805	0.397	2	104.9805	0.397	2	104.9805	0.397	2	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:3:1:	4:3:4:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:C-3:H-1:	C[5,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2H)(CCH)(H)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CH)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2H)(CCH)(H){1|C<4>,1|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	100.5420	0.174	2	100.5420	0.030	2	100.5420	0.030	2	100.3512	0.124	3	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:3:1:	4:3:4:1:	3:4:3:	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[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(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[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H)	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[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	99.9695	0.000	1	99.9695	0.000	1	99.9695	0.000	1	100.3512	0.124	3	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	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[5,6a]-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[5,6a](C[5]C[5,6]C[6a]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	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[5,6a](C[5]C[5,6]C[6a]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	102.4700	0.000	1	102.4700	0.000	1	102.4700	0.000	1	102.4700	0.000	1	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:3:1:	4:4:4:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(COO)(H)	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]CH)(C[6]C[6]CC)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(COO)(H){1|O<2>,2|C<3>,5|C<4>}	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]CH)(C[6]C[6]CC)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	99.7776	0.000	1	99.7776	0.000	1	99.7776	0.000	1	99.7776	0.000	1	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:3:1:	4:4:4:4:	3:4:3:	C[5,6a]-3:C[5,6]-4:N-3:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2C)(NC[6a]H)(H)	C[5,6](C[5,6]C[5,6a]O[5,6]H)(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HN)(CH3)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HN)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2C)(NC[6a]H)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6a]O[5,6]H)(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HN)(CH3){1|N<3>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HN)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	104.3470	0.000	1	104.3470	0.000	1	104.3470	0.000	1	104.3470	0.000	1	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:3:3:	4:3:4:4:	3:4:3:	C[5,6a]-3:C[5,6]-4:C-3:C-3:	C[5]-4:N[5]-3:C[6]-4:C[6]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5])(COO)2	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(C[6]C[6]CH)(C[6]C[6]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5])(COO)2{2|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	101.7493	0.187	8	101.7078	0.079	10	101.7078	0.079	10	101.7078	0.079	10	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:3:3:	4:3:4:4:	3:4:3:	C[5,6a]-3:C[5,6]-4:C-3:C-3:	C[5]-4:N[5]-3:C[6]-4:C[6]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5])(COO)2	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(C[6]C[6]CH)(C[6]C[6]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5])(COO)2{2|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(C[6]C[6]CH)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	101.5420	0.632	2	101.7078	0.079	10	101.7078	0.079	10	101.7078	0.079	10	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:4:1:	3:4:4:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:C-4:H-1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3)(H)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CH)(C[6]C[6]HH)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3)(H){1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CH)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	102.2935	0.059	2	102.2935	0.003	2	102.2935	0.003	2	102.2935	0.003	2	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:4:1:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CCCH)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]CH)(C[6]O[6]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CCCH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]CH)(C[6]O[6]O)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]H){3|C<3>,4|H<1>}	101.3520	0.000	1	101.3520	0.000	1	101.7403	0.114	3	102.8861	1.489	7	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:4:1:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CC[6a]CH)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]CH)(C[6]O[6]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CC[6a]CH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]CH)(C[6]O[6]O)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]H){3|C<3>,4|H<1>}	101.9345	0.050	2	101.9345	0.003	2	101.7403	0.114	3	102.8861	1.489	7	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:4:1:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(CH3)(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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(CH3)(H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]H){1|N<3>,2|C<3>,4|H<1>}	104.4150	0.000	2	104.4150	0.000	2	104.4150	0.000	2	102.8861	1.489	7	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:4:1:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5]C[5,6a]C[5]H)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]C[5]H)(C[6]O[6]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5]C[5,6a]C[5]H)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]C[5]H)(C[6]O[6]O)(H){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[5]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,5|H<1>}	103.0760	0.130	2	103.0760	0.017	2	103.0760	0.017	2	102.8861	1.489	7	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:4:1:	4:4:3:3:	3:4:3:	C[5,6a]-3:C[5,6]-4:C-4:H-1:	C[5]-4:C[5]-4:C[6]-3:C[6]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(CCHH)(H)	C[5,6](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(C[6]N[6]O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(CCHH)(H){2|H<1>,2|N<3>,2|O<1>,3|C<3>}	C[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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]CH)(C[6a]C[6a]H){3|H<1>,4|C<3>}	104.1110	0.000	1	104.1110	0.000	1	104.1110	0.000	1	104.1110	0.000	1	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:4:1:	4:4:4:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CCHH)(H)	C[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]CH)(C[6]C[6]HH)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CCHH)(H){1|O<2>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]CH)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	101.9430	0.000	1	101.9430	0.000	1	101.9430	0.000	1	101.9430	0.000	1	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:4:2:	4:3:4:4:	3:4:3:	C[5,6a]-3:C[5,6]-4:C-4:O-2:	C[5]-4:N[5]-3:C[6]-4:C[6]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5])(CCHH)(OH)	C[5,6](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(C[6]C[6]CH)(C[6]C[6]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CO)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5])(CCHH)(OH){2|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CO)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	102.4790	0.000	1	102.4790	0.000	1	102.4790	0.000	1	102.4790	0.000	1	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:4:2:	4:4:4:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[6]C[6]2H)(CN)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]C[6]C)(C[6]C[6]HH)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[6]C[6]2H)(CN){2|C<3>,4|C<4>,8|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,5|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6]C)(C[6a]C[6a]H){1|C<3>,4|C<4>,5|H<1>}	100.6307	0.099	3	100.7707	0.085	4	100.7707	0.085	4	100.7707	0.085	4	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:4:2:	4:4:4:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[6]C[6]2H)(CN)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]C[6]C)(C[6]C[6]HH)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[6]C[6]2H)(CN){3|C<3>,3|C<4>,8|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,5|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6]C)(C[6a]C[6a]H){1|C<3>,4|C<4>,5|H<1>}	101.1910	0.000	1	100.7707	0.085	4	100.7707	0.085	4	100.7707	0.085	4	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:4:3:	4:3:4:4:	3:4:3:	C[5,6a]-3:C[5,6]-4:C-4:C-3:	C[5]-4:N[5]-3:C[6]-4:C[6]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5])(CCHH)(CHO)	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(C[6]C[6]CH)(C[6]C[6]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5])(CCHH)(CHO){2|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	102.3330	0.000	1	102.3330	0.000	1	101.7873	0.165	6	101.7873	0.165	6	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:4:3:	4:3:4:4:	3:4:3:	C[5,6a]-3:C[5,6]-4:C-4:C-3:	C[5]-4:N[5]-3:C[6]-4:C[6]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5])(CCHH)(COO)	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(C[6]C[6]CH)(C[6]C[6]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5])(CCHH)(COO){2|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	101.6782	0.342	5	101.6782	0.117	5	101.7873	0.165	6	101.7873	0.165	6	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:4:4:	3:4:2:3:	3:4:3:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	N[5,6]-3:C[5]-4:O[6]-2:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]O[6]C)(CH3)2	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(O[6]C[6,6a])(CCH)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]O[6]C)(CH3)2{1|C<4>,1|H<1>,3|C<3>}	C[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[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	100.0267	0.049	2	100.0267	0.002	2	100.0267	0.002	2	100.5341	0.233	5	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:4:4:	3:4:2:3:	3:4:3:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	N[5]-3:C[5]-4:O[6]-2:C[6]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2	C[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[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2{1|C<4>,1|H<1>,5|C<3>}	C[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[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	101.0870	0.000	1	101.0870	0.000	1	100.8723	0.035	3	100.5341	0.233	5	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:4:4:	3:4:2:3:	3:4:3:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	N[5]-3:C[5]-4:O[6]-2:C[6]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2	C[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[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2{2|H<1>,5|C<3>}	C[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[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	100.7650	0.037	2	100.7650	0.001	2	100.8723	0.035	3	100.5341	0.233	5	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:4:4:	3:4:2:4:	3:4:3:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	N[5,6]-3:C[5]-4:O[6]-2:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]O[6]C)(CH3)2	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(O[6]C[6,6a])(CH3)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]O[6]C)(CH3)2{1|C<4>,1|H<1>,3|C<3>}	C[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[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	99.3145	0.052	2	99.3145	0.003	2	99.7700	0.624	3	99.7700	0.624	3	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:4:4:	3:4:2:4:	3:4:3:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	N[5,6]-3:C[5]-4:O[6]-2:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]O[6]C)(CH3)2	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(O[6]C[6])(CH3)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]O[6]C)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C[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[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	100.6810	0.000	1	100.6810	0.000	1	99.7700	0.624	3	99.7700	0.624	3	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:4:4:	3:4:3:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	N[5,6]-3:C[5]-4:N[6]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6]H)(CH3)2	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(N[6]C[6a]C[6])(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6]H)(CH3)2{1|H<1>,5|C<3>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(N[6]C[6a]C[6])(H){1|C<4>,2|O<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	98.1132	0.000	1	98.1132	0.000	1	98.1132	0.000	1	98.1132	0.000	1	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:4:4:	3:4:4:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3)2	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]C[6]HH)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3)2{1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]C[6]HH)(H){1|C<4>,1|P<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	100.6820	0.000	1	100.8540	0.059	2	100.9590	0.063	3	100.1786	2.478	4	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:4:4:	3:4:4:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3)2	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]C[6]HH)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3)2{1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]C[6]HH)(H){1|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	101.0260	0.000	1	100.8540	0.059	2	100.9590	0.063	3	100.1786	2.478	4	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:4:4:	3:4:4:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3)2	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]O[6]HH)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3)2{1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]O[6]HH)(H){1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	101.1690	0.000	1	101.1690	0.000	1	100.9590	0.063	3	100.1786	2.478	4	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:4:4:	3:4:4:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(CH3)2	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]C[6]CC)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(CH3)2{1|H<1>,3|C<3>,3|C<4>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]C[6]CC)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	97.8373	0.000	1	97.8373	0.000	1	97.8373	0.000	1	100.1786	2.478	4	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:4:4:	4:2:3:3:	3:4:3:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C[5]-4:O[5]-2:C[6]-3:C[6]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(CH3)2	C[5,6](C[5]C[5,6a]CC)(O[5]C[5,6a])(C[6]N[6]O)2	C[5,6a](C[5,6a]N[6a]O[5])(C[5]C[5,6]CC)(C[6a]N[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(CH3)2{3|O<1>,4|N<3>}	C[5,6](C[5]C[5,6a]CC)(O[5]C[5,6a])(C[6]N[6]O)2{1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]N[6a]O[5])(C[5]C[5,6]CC)(C[6a]N[6a]O){2|C<4>,3|C<3>}	97.6763	0.000	1	97.6763	0.000	1	97.6763	0.000	1	97.6763	0.000	1	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:4:4:	4:3:2:3:	3:4:3:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2	C[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[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2{1|C<4>,2|H<1>,4|C<3>}	C[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[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	101.8605	1.721	4	101.8605	2.960	4	100.7513	0.820	50	100.7513	0.820	50	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:4:4:	4:3:2:3:	3:4:3:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2	C[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[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2{1|C<4>,1|H<1>,5|C<3>}	C[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[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	100.0026	0.096	3	100.0026	0.009	3	100.7513	0.820	50	100.7513	0.820	50	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:4:4:	4:3:2:3:	3:4:3:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2	C[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[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]Br)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2{1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	C[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[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]Br){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	100.3932	0.497	6	100.3932	0.247	6	100.7513	0.820	50	100.7513	0.820	50	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:4:4:	4:3:2:3:	3:4:3:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2	C[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[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2{1|C<4>,2|H<1>,4|C<3>}	C[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[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	101.1700	0.000	1	101.0171	0.418	22	100.7513	0.820	50	100.7513	0.820	50	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:4:4:	4:3:2:3:	3:4:3:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2	C[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[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2{1|C<4>,2|H<1>,4|C<3>}	C[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[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	100.7683	0.484	3	101.0171	0.418	22	100.7513	0.820	50	100.7513	0.820	50	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:4:4:	4:3:2:3:	3:4:3:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2	C[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[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2{1|C<4>,2|H<1>,4|C<3>}	C[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[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	101.0559	0.722	16	101.0171	0.418	22	100.7513	0.820	50	100.7513	0.820	50	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:4:4:	4:3:2:3:	3:4:3:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2	C[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[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2{1|C<4>,2|H<1>,4|C<3>}	C[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[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	100.6370	0.000	1	101.0171	0.418	22	100.7513	0.820	50	100.7513	0.820	50	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:4:4:	4:3:2:3:	3:4:3:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2	C[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[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2{1|C<4>,2|H<1>,4|C<3>}	C[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[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	101.3710	0.000	1	101.0171	0.418	22	100.7513	0.820	50	100.7513	0.820	50	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:4:4:	4:3:2:3:	3:4:3:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2	C[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[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2{1|H<1>,1|N<2>,2|C<4>,3|C<3>}	C[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[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	100.0220	0.000	1	100.0220	0.000	1	100.7513	0.820	50	100.7513	0.820	50	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:4:4:	4:3:2:3:	3:4:3:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2	C[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[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[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[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	101.0430	0.000	1	100.6484	0.825	9	100.7513	0.820	50	100.7513	0.820	50	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:4:4:	4:3:2:3:	3:4:3:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2	C[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[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[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[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	100.5991	0.958	8	100.6484	0.825	9	100.7513	0.820	50	100.7513	0.820	50	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:4:4:	4:3:2:3:	3:4:3:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2	C[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[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2{1|C<4>,1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[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[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	99.9486	0.000	1	99.9045	0.375	5	100.7513	0.820	50	100.7513	0.820	50	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:4:4:	4:3:2:3:	3:4:3:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2	C[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[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2{1|C<4>,1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[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[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	99.8935	0.706	4	99.9045	0.375	5	100.7513	0.820	50	100.7513	0.820	50	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:4:4:	4:3:2:4:	3:4:3:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C[5]-4:N[5]-3:O[6]-2:C[6]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2	C[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[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2{2|C<4>,3|C<3>,3|H<1>}	C[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[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	100.7725	0.166	2	100.7725	0.028	2	100.7725	0.028	2	100.7725	0.028	2	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	3:4:4:4:	4:4:4:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3)2	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]CC)(C[6]C[6]HH)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3)2{2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	100.3990	0.000	1	100.3990	0.000	1	100.3990	0.000	1	100.3990	0.000	1	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	4:3:1:1:	3:4:2:3:	3:4:3:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[6,6a]-3:C[5]-4:O[5]-2:C[6]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6]C[6,6a]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(H)2	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[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	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[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[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	102.8600	0.000	1	102.8600	0.000	1	102.8600	0.000	1	102.8600	0.000	1	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	4:3:1:1:	3:4:2:4:	3:4:3:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5a,6]-3:C[5]-4:O[5]-2:C[6]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6]C[5a,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]HH)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5](C[5,6]C[5a,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(H)2{1|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]HH){1|N<3>,1|S<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	103.5590	0.000	1	103.5590	0.000	1	103.5590	0.000	1	103.5590	0.000	1	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	4:3:1:1:	3:4:4:1:	3:4:3:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)2	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]O)	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[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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]O){1|C<4>,2|C<3>,4|H<1>}	102.5780	0.000	1	102.5780	0.000	1	102.5780	0.000	1	102.5780	0.000	1	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	4:3:1:1:	3:4:4:3:	3:4:3:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6]C[6,6a]C[5,6]C[6a])(C[5,6a]C[5,6a]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)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	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[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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	103.0210	0.000	1	103.0210	0.000	1	103.0210	0.000	1	103.0210	0.000	1	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	4:3:1:1:	3:4:4:4:	3:4:3:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[6,6a]-3:C[5]-4:C[5]-4:C[6]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]HH)2(C[6]C[6]HO)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(H)2{1|C<4>,1|O<2>,4|C<3>,4|H<1>}	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	104.9230	0.146	2	104.9230	0.021	2	104.9230	0.021	2	104.9230	0.021	2	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	4:3:1:1:	4:3:4:1:	3:4:3:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6]-4:C[5a,6]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6]C[5a,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)2	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5](C[5,6]C[5a,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)2{1|N<3>,2|H<1>,4|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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){3|C<3>,4|H<1>}	101.9460	0.000	1	101.9460	0.000	1	101.9460	0.000	1	102.9454	0.320	5	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	4:3:1:1:	4:3:4:1:	3:4:3:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)2	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)2{1|C<4>,2|H<1>,4|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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	103.1280	0.000	2	103.1280	0.000	2	103.1280	0.000	2	102.9454	0.320	5	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	4:3:1:1:	4:3:4:1:	3:4:3:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	103.2625	0.121	2	103.2625	0.015	2	103.2625	0.015	2	102.9454	0.320	5	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	4:3:1:1:	4:4:2:3:	3:4:3:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6]-4:C[5]-4:O[5]-2:C[6]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6](C[5,6]C[5]C[6]O[5])(C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]O)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]C)	C[5](C[5,6]C[5,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(H)2{1|O<1>,1|O<2>,2|C<4>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]O[5])(C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]O){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]C){2|C<4>,3|C<3>}	101.7040	0.000	1	101.7040	0.000	1	101.7040	0.000	1	102.1265	0.357	2	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	4:3:1:1:	4:4:2:3:	3:4:3:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[6,6]-4:C[5]-4:O[5]-2:C[6]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6]C[6,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]C)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]O[6a]O)	C[5](C[5,6]C[6,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(H)2{1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]C){2|C<3>,3|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]O[6a]O){2|C<3>,2|C<4>}	102.5490	0.000	1	102.5490	0.000	1	102.5490	0.000	1	102.1265	0.357	2	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	4:3:1:1:	4:4:2:4:	3:4:3:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[6,6]-4:C[5]-4:O[5]-2:C[6]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6]C[6,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]CH)	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]O)	C[5](C[5,6]C[6,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,1|O<2>,2|C<3>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]CH){2|C<3>,3|C<4>,5|H<1>}	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]O){1|C<3>,1|H<1>,3|C<4>}	102.8563	0.425	3	102.9322	0.144	4	102.7693	0.147	7	102.7693	0.147	7	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	4:3:1:1:	4:4:2:4:	3:4:3:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[6,6]-4:C[5]-4:O[5]-2:C[6]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6]C[6,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]CH)	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]O)	C[5](C[5,6]C[6,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,1|O<2>,2|C<3>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]CH){2|C<3>,3|C<4>,5|H<1>}	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]O){1|H<1>,2|C<3>,2|C<4>}	103.1600	0.000	1	102.9322	0.144	4	102.7693	0.147	7	102.7693	0.147	7	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	4:3:1:1:	4:4:2:4:	3:4:3:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[6,6]-4:C[5]-4:O[5]-2:C[6]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6]C[6,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]CH)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]O)	C[5](C[5,6]C[6,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,1|O<2>,2|C<3>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]CH){2|C<3>,3|C<4>,5|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]O){1|H<1>,2|C<3>,2|C<4>}	102.5520	0.318	3	102.5520	0.101	3	102.7693	0.147	7	102.7693	0.147	7	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	4:3:1:1:	4:4:3:3:	3:4:3:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[5]-3:N[6]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6]C[5,6]C[5]N[6])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(N[6]C[6,6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6]C[5]N[6])(C[5,6a]C[5,6a]C[6a])(H)2{1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(N[6]C[6,6a]H){8|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	104.7865	0.415	2	104.7865	0.172	2	104.7865	0.172	2	104.7865	0.172	2	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	4:3:1:1:	4:4:4:1:	3:3:4:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6](C[5,5,6]C[5,6a]2C[5,6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H)2{2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6a]2C[5,6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,6]HH){2|C<4>,2|H<1>,3|C<3>}	102.8720	0.235	2	102.8720	0.055	2	102.8720	0.055	2	102.8720	0.055	2	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	4:3:1:1:	4:4:4:1:	3:4:2:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]N[6a])(H)2	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,6]HH)(N[6a]C[6a])	C[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]N[6a])(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H){1|N<2>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,6]HH)(N[6a]C[6a]){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	103.4820	0.000	1	103.4820	0.000	1	103.4820	0.000	1	103.4820	0.000	1	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	4:3:1:1:	4:4:4:1:	3:4:3:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6](C[5,5,6]C[5,6a]2C[5,6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]Br)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H)2{1|Br<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,5,6]C[5,6a]2C[5,6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]Br){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	102.8185	0.282	2	102.8185	0.080	2	103.9554	0.792	15	103.4137	2.595	20	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	4:3:1:1:	4:4:4:1:	3:4:3:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6](C[5,5,6]C[5,6a]2C[5,6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H)2{2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6a]2C[5,6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	104.2016	0.811	12	104.2016	0.658	12	103.9554	0.792	15	103.4137	2.595	20	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	4:3:1:1:	4:4:4:1:	3:4:3:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6](C[5,5,6]C[5,6a]C[5,6]2)(C[5]C[5,6a]HH)(C[6]C[6]HH)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H)2{2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6a]C[5,6]2)(C[5]C[5,6a]HH)(C[6]C[6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	103.2750	0.000	1	103.2750	0.000	1	103.9554	0.792	15	103.4137	2.595	20	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	4:3:1:1:	4:4:4:1:	3:4:3:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]C)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(H)2{2|C<3>,6|C<4>}	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]C){1|C<3>,2|H<1>,4|C<4>}	101.6050	0.000	1	101.6050	0.000	1	101.7886	5.152	5	103.4137	2.595	20	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	4:3:1:1:	4:4:4:1:	3:4:3:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,3|C<3>,4|C<4>}	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(H){2|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	105.0500	0.000	1	105.0500	0.000	1	101.7886	5.152	5	103.4137	2.595	20	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	4:3:1:1:	4:4:4:1:	3:4:3:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(H)	C[5,6a](C[5,6a]C[5,6a]C[5,6])(C[5]C[5,6]HH)(C[6a]C[6a]O)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(H)2{1|O<2>,2|C<3>,5|C<4>}	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HH)(H){2|C<3>,3|C<4>,5|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[5,6])(C[5]C[5,6]HH)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	102.8840	0.000	1	102.8840	0.000	1	101.7886	5.152	5	103.4137	2.595	20	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	4:3:1:1:	4:4:4:1:	3:4:3:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6a]HH)(H)	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(H)2{1|C<3>,1|N<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6a]HH)(H){1|N<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|H<1>,2|C<3>,3|C<4>}	99.8234	0.000	1	99.8234	0.000	1	101.7886	5.152	5	103.4137	2.595	20	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	4:3:1:1:	4:4:4:1:	3:4:3:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6a]HH)(H)	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]HH)(C[6a]N[6a]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(H)2{2|H<1>,2|N<2>,4|C<4>}	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6a]HH)(H){1|N<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]HH)(C[6a]N[6a]H){1|C<3>,1|H<1>,3|C<4>}	99.5807	0.000	1	99.5807	0.000	1	101.7886	5.152	5	103.4137	2.595	20	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	4:3:1:1:	4:4:4:4:	3:4:2:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:C-4:	C[5,6a]-3:C[5]-4:O[6a]-2:	C[5](C[5,6]C[5,6]C[6,6]C)(C[5,6a]C[5,6a]O[6a])(H)2	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6a]HH)(CH3)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(O[6a]C[6a])	C[5](C[5,6]C[5,6]C[6,6]C)(C[5,6a]C[5,6a]O[6a])(H)2{1|H<1>,2|C<3>,4|C<4>}	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6a]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(O[6a]C[6a]){1|C<3>,1|O<1>,1|O<2>,4|C<4>}	101.7845	0.265	2	101.7845	0.070	2	101.7845	0.070	2	101.7845	0.070	2	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	4:3:2:1:	3:3:4:1:	3:4:3:	C[5,6]-4:C[5,6a]-3:O-2:H-1:	C[5,6]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(OH)(H)	C[5,6](C[5,6]C[5,6a]C[6])(N[5,6]C[5,6]C[5])(C[5]C[5,6a]HO)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HO)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(OH)(H){1|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(N[5,6]C[5,6]C[5])(C[5]C[5,6a]HO)(H){1|C<4>,1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HO)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	100.3280	0.000	1	101.7153	1.512	3	101.7153	1.512	3	101.7153	1.512	3	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	4:3:2:1:	3:3:4:1:	3:4:3:	C[5,6]-4:C[5,6a]-3:O-2:H-1:	C[5,6]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(OH)(H)	C[5,6](C[5,6]C[5,6a]C[6])(N[5,6]C[5,6]C[5])(C[5]C[5,6a]HO)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HO)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(OH)(H){1|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(N[5,6]C[5,6]C[5])(C[5]C[5,6a]HO)(H){1|H<1>,1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HO)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	102.4090	0.371	2	101.7153	1.512	3	101.7153	1.512	3	101.7153	1.512	3	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	4:3:2:1:	3:3:4:3:	3:4:3:	C[5,6]-4:C[5,6a]-3:O-2:H-1:	C[5,6]-3:N[5,6]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6]C[5,6]N[5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(OH)(H)	C[5,6](C[5,6]C[5,6a]C[6])(N[5,6]C[5,6]C[5])(C[5]C[5,6a]HO)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HO)(C[6a]C[6a]H)	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[5,6](C[5,6]C[5,6a]C[6])(N[5,6]C[5,6]C[5])(C[5]C[5,6a]HO)(C[6a]C[6a]2){1|O<1>,3|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HO)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	102.6223	0.110	3	102.6223	0.012	3	102.6223	0.012	3	102.6223	0.012	3	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	4:3:2:1:	3:3:4:4:	3:4:3:	C[5,6]-4:C[5,6a]-3:O-2:H-1:	C[5,6]-3:N[5,6]-3:C[5]-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6]C[5,6]N[5,6]C)(C[5,6a]C[5,6a]C[6a])(OH)(H)	C[5,6](C[5,6]C[5,6a]C[6])(N[5,6]C[5,6]C[5])(C[5]C[5,6a]HO)(CH3)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HO)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6]N[5,6]C)(C[5,6a]C[5,6a]C[6a])(OH)(H){1|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(N[5,6]C[5,6]C[5])(C[5]C[5,6a]HO)(CH3){1|C<4>,1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HO)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	102.5250	0.000	1	102.4655	0.007	2	102.4655	0.007	2	102.4655	0.007	2	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	4:3:2:1:	3:3:4:4:	3:4:3:	C[5,6]-4:C[5,6a]-3:O-2:H-1:	C[5,6]-3:N[5,6]-3:C[5]-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6]C[5,6]N[5,6]C)(C[5,6a]C[5,6a]C[6a])(OH)(H)	C[5,6](C[5,6]C[5,6a]C[6])(N[5,6]C[5,6]C[5])(C[5]C[5,6a]HO)(CH3)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HO)(C[6a]C[6a]H)	C[5](C[5,6]C[5,6]N[5,6]C)(C[5,6a]C[5,6a]C[6a])(OH)(H){1|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(N[5,6]C[5,6]C[5])(C[5]C[5,6a]HO)(CH3){1|H<1>,1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HO)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	102.4060	0.000	1	102.4655	0.007	2	102.4655	0.007	2	102.4655	0.007	2	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	4:3:2:1:	3:4:4:1:	3:3:4:	C[5,6]-4:C[5,6a]-3:O-2:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:Br-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]Br)(C[5,6a]C[5,6a]C[6a])(OC)(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)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,6]HO)	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[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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,6]HO){1|Br<1>,1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	101.2910	0.000	1	101.2910	0.000	1	101.2910	0.000	1	101.2910	0.000	1	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	4:3:2:1:	4:4:2:3:	3:4:3:	C[5,6]-4:C[5,6a]-3:O-2:H-1:	C[5,6]-4:C[5]-4:O[5]-2:C[6]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(OH)(H)	C[5,6](C[5,6]C[5]C[6]O[5])(C[5]C[5,6a]HO)(O[5]C[5,6a])(C[6]C[6]O)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HO)(C[6a]C[6a]O)	C[5](C[5,6]C[5,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(OH)(H){1|C<4>,1|O<1>,2|O<2>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]O[5])(C[5]C[5,6a]HO)(O[5]C[5,6a])(C[6]C[6]O){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HO)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	100.3370	0.000	1	100.3370	0.000	1	100.3370	0.000	1	100.3720	0.002	2	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	4:3:2:1:	4:4:2:3:	3:4:3:	C[5,6]-4:C[5,6a]-3:O-2:H-1:	C[6,6]-4:C[5]-4:O[5]-2:C[6]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6]C[6,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(OH)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HO)(O[5]C[5,6a])(C[6]C[6]C)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HO)(C[6a]O[6a]O)	C[5](C[5,6]C[6,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(OH)(H){1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]HO)(O[5]C[5,6a])(C[6]C[6]C){2|C<3>,3|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HO)(C[6a]O[6a]O){1|C<4>,1|H<1>,2|C<3>}	100.4070	0.000	1	100.4070	0.000	1	100.4070	0.000	1	100.3720	0.002	2	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	4:3:3:1:	3:3:4:3:	3:4:3:	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[5,6a,6a]-3:C[5]-4: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[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,6]C[6a]H)(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[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H){1|H<1>,7|C<3>}	103.9245	0.120	2	103.9245	0.014	2	103.9245	0.014	2	103.9245	0.014	2	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	4:3:3:1:	3:4:3:3:	3:4:3:	C[5,6]-4:C[5,6a]-3:C-3:H-1:	C[6,6a]-3:C[5]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(COO)(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)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]CH)(C[6a]C[6a]H)	C[5](C[5,6]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[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]CH)(C[5]C[5,6a]C)(C[6]C[6]O){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]CH)(C[6a]C[6a]H){2|H<1>,4|C<3>}	105.5295	0.272	2	105.5295	0.074	2	105.5295	0.074	2	105.5295	0.074	2	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	4:3:3:1:	3:4:3:4:	3:4:3:	C[5,6]-4:C[5,6a]-3:N-3:H-1:	N[5,6]-3:C[5]-4:C[6a]-3:C[6]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6]N[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(NHS)(H)	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[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HN)(C[6a]C[6a]H)	C[5](C[5,6]N[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(NHS)(H){1|C<4>,1|N<3>,3|H<1>,4|C<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){1|C<4>,4|H<1>,5|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HN)(C[6a]C[6a]H){1|H<1>,2|C<3>,3|C<4>}	102.1955	0.057	2	102.1955	0.003	2	102.1955	0.003	2	102.1955	0.003	2	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	4:3:3:3:	3:3:4:1:	3:4:3:	C[5,6]-4:C[5,6a]-3:C-3:C-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(COO)2	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[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(COO)2{1|C<4>,1|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(H){2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	101.5280	0.000	1	101.5280	0.000	1	101.5280	0.000	1	101.5280	0.000	1	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	4:3:4:1:	3:4:3:3:	3:4:3:	C[5,6]-4:C[5,6a]-3:C-4:H-1:	C[6,6a]-3:C[5]-4:C[6]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(CH3)(H)	C[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[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CH)(C[6a]C[6a]H)	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(CH3)(H){1|O<1>,2|H<1>,5|C<3>}	C[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[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	101.3300	0.991	2	100.9763	1.306	4	100.9763	1.306	4	100.9763	1.306	4	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	4:3:4:1:	3:4:3:3:	3:4:3:	C[5,6]-4:C[5,6a]-3:C-4:H-1:	C[6,6a]-3:C[5]-4:C[6]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(CH3)(H)	C[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[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CH)(C[6a]C[6a]H)	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(CH3)(H){1|O<1>,2|H<1>,5|C<3>}	C[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[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CH)(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	100.6226	1.560	2	100.9763	1.306	4	100.9763	1.306	4	100.9763	1.306	4	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	4:3:4:1:	3:4:4:3:	3:4:3:	C[5,6]-4:C[5,6a]-3:C-4:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(CC[6a]2H)(H)	C[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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]H)	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(CC[6a]2H)(H){1|O<2>,2|H<1>,4|C<3>}	C[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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	100.8730	0.000	1	100.8730	0.000	1	100.8730	0.000	1	100.6940	0.060	3	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	4:3:4:1:	3:4:4:3:	3:4:3:	C[5,6]-4:C[5,6a]-3:C-4:H-1:	C[6,6a]-3:C[5]-4:C[6]-4:N[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(CH3)(H)	C[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[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CH)(C[6a]C[6a]H)	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(CH3)(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[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[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CH)(C[6a]C[6a]H){1|H<1>,2|C<3>,3|C<4>}	100.4140	0.000	1	100.6045	0.073	2	100.6045	0.073	2	100.6940	0.060	3	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	4:3:4:1:	3:4:4:3:	3:4:3:	C[5,6]-4:C[5,6a]-3:C-4:H-1:	C[6,6a]-3:C[5]-4:C[6]-4:N[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(CH3)(H)	C[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[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CH)(C[6a]C[6a]H)	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(CH3)(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[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[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CH)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	100.7950	0.000	1	100.6045	0.073	2	100.6045	0.073	2	100.6940	0.060	3	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	4:3:4:1:	3:4:4:4:	3:4:3:	C[5,6]-4:C[5,6a]-3:C-4:H-1:	C[6,6a]-3:N[5]-4:C[5]-4:C[6]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(CH3)(H)	C[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[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CH)(C[6a]C[6a]H)	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(CH3)(H){1|Al<5>,1|C<4>,1|O<3>,2|H<1>,5|C<3>}	C[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[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CH)(C[6a]C[6a]H){1|Al<5>,2|C<3>,2|C<4>,2|H<1>}	99.9373	0.000	1	99.9373	0.000	1	99.9373	0.000	1	99.9373	0.000	1	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5,6]	C[5,6a]	4:3:4:4:	3:4:3:4:	3:4:3:	C[5,6]-4:C[5,6a]-3:C-4:C-4:	N[5,6]-3:C[5]-4:C[6a]-3:C[6]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6]N[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(CCHH)(CH3)	C[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[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5](C[5,6]N[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(CCHH)(CH3){2|C<4>,3|H<1>,4|C<3>}	C[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[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	100.1240	0.000	1	100.1240	0.000	1	100.1240	0.000	1	100.1240	0.000	1	102.2352	2.485	284	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:3:3:4:	4:4:4:1:	3:4:3:	C[5,5a]-3:C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,5a]-3:C[5]-4:N[5a]-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[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]2C[5])(N[5a]C[5a,6a]H)	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[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]2C[5])(N[5a]C[5a,6a]H){1|C<4>,2|H<1>,7|C<3>}	97.3893	0.000	1	97.3893	0.000	1	97.3893	0.000	1	97.3893	0.000	1	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:3:4:1:	4:2:3:1:	3:3:4:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:S[5]-2:N-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[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[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]S[5])(C[5]C[6a]C[5]H)	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[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]S[5])(C[5]C[6a]C[5]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	104.5420	0.000	1	104.5420	0.000	1	104.5420	0.000	1	104.5420	0.000	1	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:3:4:1:	4:3:1:1:	3:3:4:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[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[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]N[5])(C[5]C[6a]C[5]H)	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[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]N[5])(C[5]C[6a]C[5]H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	100.3710	0.000	1	100.3710	0.000	1	100.3710	0.000	1	100.3710	0.000	1	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:3:4:1:	4:3:3:2:	3:4:3:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-3:O-2:	C[5,5a]-3:C[5]-4:C[5a]-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[5,5a](C[5,5a]S[5a]C[5])(C[5]C[6a]C[5]H)(C[5a]C[5a]H)	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[5,5a](C[5,5a]S[5a]C[5])(C[5]C[6a]C[5]H)(C[5a]C[5a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	102.8720	0.000	1	102.8720	0.000	1	102.8720	0.000	1	102.8720	0.000	1	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:3:4:1:	4:3:4:1:	3:3:4:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:P-4:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	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[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C[6a])(C[5]C[6a]C[5]H)	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[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C[6a])(C[5]C[6a]C[5]H){1|H<1>,1|O<1>,1|P<4>,6|C<3>}	102.3210	0.000	1	102.3210	0.000	1	102.3210	0.000	1	102.3210	0.000	1	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:3:4:1:	4:3:4:1:	3:4:3:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	N[5,5a]-3:C[5]-4:C[5a]-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[5,5a](N[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(C[5a]C[5a,6a]H)	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[5,5a](N[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(C[5a]C[5a,6a]H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	102.7570	0.000	1	102.7570	0.000	1	102.7570	0.000	1	102.7570	0.000	1	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:3:4:1:	4:4:1:1:	3:4:3:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5]-4:N[5a]-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[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(N[5a]C[5a,6a]H)	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[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(N[5a]C[5a,6a]H){4|C<3>,4|H<1>}	101.2700	0.000	1	101.2700	0.000	1	101.2700	0.000	1	101.2700	0.000	1	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:3:4:1:	4:4:2:1:	3:4:3:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-2:H-1:	N[5,5a]-3:C[5]-4:C[5a]-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[5,5a](N[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(C[5a]C[5a,6a]C)	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[5,5a](N[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(C[5a]C[5a,6a]C){1|C<2>,2|H<1>,5|C<3>}	99.6300	0.000	1	99.6300	0.000	1	99.6300	0.000	1	99.6300	0.000	1	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:3:4:1:	4:4:3:1:	3:3:4:	C[5,5a]-3:C[5a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a]N[5a])(C[5]C[6a]C[5]H)(H)	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[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5a]C[5]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){1|C<4>,1|H<1>,1|N<3>,8|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[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5a]C[5]H){1|N<3>,3|H<1>,6|C<3>}	100.0780	0.000	1	100.0780	0.000	1	100.0780	0.000	1	99.8153	1.599	3	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:3:4:1:	4:4:3:1:	3:3:4:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[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[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]C[5]H)	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[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]C[5]H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	98.4400	0.000	1	98.4400	0.000	1	98.4400	0.000	1	99.8153	1.599	3	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:3:4:1:	4:4:3:1:	3:3:4:	C[5,5a]-3:N[5a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	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[5](C[5]C[5,5a]C[6a]2)(C[5]C[5,5a]N[5a]H)(C[6a]C[6a]2)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]N[5a]C[5]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){1|H<1>,1|N<3>,9|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[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]N[5a]C[5]H){3|H<1>,7|C<3>}	100.9280	0.000	1	100.9280	0.000	1	100.9280	0.000	1	99.8153	1.599	3	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:3:4:1:	4:4:3:1:	3:4:3:	C[5,5a]-3:C[5a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5a]-3:C[5]-4:N[5a]-3:	C[5](C[5,5a]C[5,5a]N[5a])(C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5]H)(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[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[5a]C[5]H)(N[5a]C[5a,6a]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){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[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[5a]C[5]H)(N[5a]C[5a,6a]H){2|H<1>,6|C<3>}	100.0800	0.000	1	100.0800	0.000	1	100.0800	0.000	1	101.5386	1.083	8	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:3:4:1:	4:4:3:1:	3:4:3:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5,5a]-3:C[5]-4:N[5a]-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[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(N[5a]C[5a,6a]H)	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[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(N[5a]C[5a,6a]H){3|H<1>,5|C<3>}	100.2040	0.000	1	100.2040	0.000	1	100.2040	0.000	1	101.5386	1.083	8	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:3:4:1:	4:4:3:1:	3:4:3:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	N[5,5a]-3:C[5]-4:C[5a]-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[5,5a](N[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(C[5a]C[5a,6a]C)	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[5,5a](N[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(C[5a]C[5a,6a]C){2|H<1>,6|C<3>}	101.7605	0.151	2	101.7605	0.023	2	102.0042	0.474	6	101.5386	1.083	8	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:3:4:1:	4:4:3:1:	3:4:3:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	N[5,5a]-3:C[5]-4:C[5a]-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[5,5a](N[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(C[5a]C[5a,6a]C)	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[5,5a](N[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(C[5a]C[5a,6a]C){2|H<1>,6|C<3>}	101.7563	0.514	3	101.7563	0.265	3	102.0042	0.474	6	101.5386	1.083	8	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:3:4:1:	4:4:3:1:	3:4:3:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	N[5,5a]-3:C[5]-4:C[5a]-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[5,5a](N[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(C[5a]C[5a,6a]C)	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[5,5a](N[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(C[5a]C[5a,6a]C){1|N<3>,2|H<1>,5|C<3>}	103.2350	0.000	1	103.2350	0.000	1	102.0042	0.474	6	101.5386	1.083	8	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:3:4:1:	4:4:4:1:	3:3:4:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[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[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]C[5]H)	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[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]C[5]H){1|C<4>,3|H<1>,6|C<3>}	100.3900	0.000	1	100.3900	0.000	1	100.3900	0.000	1	100.3900	0.000	1	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:3:4:1:	4:4:4:1:	3:4:3:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:S-4:H-1:	C[5,5a]-3:C[5]-4:C[5a]-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[5,5a](C[5,5a]S[5a]C[5])(C[5]C[6a]C[5]H)(C[5a]C[5a]H)	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[5,5a](C[5,5a]S[5a]C[5])(C[5]C[6a]C[5]H)(C[5a]C[5a]H){1|S<4>,2|C<3>,4|H<1>}	100.6490	0.000	1	100.6490	0.000	1	100.6490	0.000	1	100.6490	0.000	1	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:3:4:1:	4:4:4:4:	3:4:3:	C[5,5a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5,5a]-3:C[5]-4:N[5a]-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[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(N[5a]C[5a,6a]S)	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[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(N[5a]C[5a,6a]S){2|C<4>,2|H<1>,4|C<3>}	99.3237	0.000	1	99.3237	0.000	1	99.3237	0.000	1	99.3237	0.000	1	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:3:4:3:	4:4:1:1:	3:4:3:	C[5,5a]-3:C[5a]-3:C[5]-4:C-3:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5]-4:N[5a]-3:	C[5](C[5,5a]C[5,5a]N[5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(COO)	C[5](C[5]C[5,5a]C[5a]C)(C[5]C[5,5a]CC)(H)2	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[5a]C[5]C)(N[5a]C[5a,6a]C)	C[5](C[5,5a]C[5,5a]N[5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(COO){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	C[5](C[5]C[5,5a]C[5a]C)(C[5]C[5,5a]CC)(H)2{1|N<3>,3|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[5a]C[5]C)(N[5a]C[5a,6a]C){1|C<4>,2|H<1>,5|C<3>}	96.9193	0.000	1	96.9193	0.000	1	96.9193	0.000	1	96.9193	0.000	1	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:3:4:3:	4:4:3:3:	3:3:4:	C[5,5a]-3:C[6a]-3:C[5]-4:C-3:	C[5]-4:C[5]-4:C-3:C-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	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[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]C[5]C)	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[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]C[5]C){1|C<4>,3|H<1>,6|C<3>}	100.1460	0.000	1	100.1460	0.000	1	100.1460	0.000	1	100.1460	0.000	1	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:3:4:4:	4:4:1:1:	3:4:3:	C[5,5a]-3:C[5a]-3:C[5]-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5]-4:N[5a]-3:	C[5](C[5,5a]C[5,5a]N[5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(CH3)	C[5](C[5]C[5,5a]C[5a]C)(C[5]C[5,5a]CC)(H)2	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[5a]C[5]C)(N[5a]C[5a,6a]C)	C[5](C[5,5a]C[5,5a]N[5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(CH3){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	C[5](C[5]C[5,5a]C[5a]C)(C[5]C[5,5a]CC)(H)2{1|N<3>,3|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[5a]C[5]C)(N[5a]C[5a,6a]C){2|C<4>,2|H<1>,4|C<3>}	98.7190	0.000	1	98.8590	0.039	2	98.7198	0.078	3	98.7198	0.078	3	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:3:4:4:	4:4:1:1:	3:4:3:	C[5,5a]-3:C[5a]-3:C[5]-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5]-4:N[5a]-3:	C[5](C[5,5a]C[5,5a]N[5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(CH3)	C[5](C[5]C[5,5a]C[5a]C)(C[5]C[5,5a]CC)(H)2	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[5a]C[5]C)(N[5a]C[5a,6a]C)	C[5](C[5,5a]C[5,5a]N[5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(CH3){1|H<1>,1|N<3>,3|C<4>,4|C<3>}	C[5](C[5]C[5,5a]C[5a]C)(C[5]C[5,5a]CC)(H)2{1|N<3>,3|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[5a]C[5]C)(N[5a]C[5a,6a]C){2|C<4>,2|H<1>,4|C<3>}	98.9991	0.000	1	98.8590	0.039	2	98.7198	0.078	3	98.7198	0.078	3	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:3:4:4:	4:4:1:1:	3:4:3:	C[5,5a]-3:C[5a]-3:C[5]-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5]-4:N[5a]-3:	C[5](C[5,5a]C[5,5a]N[5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(CH3)	C[5](C[5]C[5,5a]C[5a]C)(C[5]C[5,5a]CC)(H)2	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[5a]C[5]C)(N[5a]C[5a,6a]S)	C[5](C[5,5a]C[5,5a]N[5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(CH3){1|H<1>,1|N<3>,1|S<4>,2|C<4>,4|C<3>}	C[5](C[5]C[5,5a]C[5a]C)(C[5]C[5,5a]CC)(H)2{1|N<3>,3|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[5a]C[5]C)(N[5a]C[5a,6a]S){2|C<4>,2|H<1>,4|C<3>}	98.4414	0.000	1	98.4414	0.000	1	98.7198	0.078	3	98.7198	0.078	3	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5a]C[5])(C[5]C[5,5a]HH)(H)2	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]HH)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|C<3>}	C[5](C[5]C[5,5a]C[5])(C[5]C[5,5a]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]HH){2|C<3>,3|H<1>}	103.2935	0.159	2	103.2935	0.025	2	103.2935	0.025	2	103.2935	0.025	2	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:1:1:	3:4:1:1:	3:4:2:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5]-4:S[5a]-2:	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5a]C[5])(C[5]C[5,5a]HH)(H)2	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5]HH)(S[5a]C[5a])	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]HH)(H)2{3|C<3>}	C[5](C[5]C[5,5a]C[5])(C[5]C[5,5a]HH)(H)2{1|C<4>,1|S<2>,2|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5]HH)(S[5a]C[5a]){1|C<3>,4|H<1>}	102.1580	0.000	1	102.1580	0.000	1	102.1580	0.000	1	102.1580	0.000	1	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:1:1:	4:2:1:1:	3:4:2:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5,5a]-3:C[5]-4:S[5a]-2:	C[5](C[5,5a]C[5,5a]S[5a])(C[5]S[5]HH)(H)2	C[5](C[5]C[5,5a]HH)(S[5]C[5,5a])(H)2	C[5,5a](C[5,5a]S[5a]S[5])(C[5]C[5]HH)(S[5a]C[5a])	C[5](C[5,5a]C[5,5a]S[5a])(C[5]S[5]HH)(H)2{1|C<3>,1|S<2>}	C[5](C[5]C[5,5a]HH)(S[5]C[5,5a])(H)2{2|S<2>}	C[5,5a](C[5,5a]S[5a]S[5])(C[5]C[5]HH)(S[5a]C[5a]){1|O<1>,2|H<1>}	102.6060	0.000	1	102.6060	0.000	1	102.6060	0.000	1	102.6060	0.000	1	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5a]HH)(C[5]C[5,5a]O)(H)2	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5a]N[5a,6a]C)(C[5]C[5]HH)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2{1|C<2>,1|C<3>,1|N<3>,1|O<1>}	C[5](C[5]C[5,5a]HH)(C[5]C[5,5a]O)(H)2{2|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5a]N[5a,6a]C)(C[5]C[5]HH){1|O<1>,2|C<3>,2|H<1>}	102.4290	0.000	1	102.4290	0.000	1	102.4290	0.000	1	101.8222	1.163	4	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5a]HH)(C[5]C[5,5a]O)(H)2	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]S)(C[5]C[5]HH)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(H)2{1|O<1>,1|S<4>,2|C<3>}	C[5](C[5]C[5,5a]HH)(C[5]C[5,5a]O)(H)2{1|C<3>,1|N<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]S)(C[5]C[5]HH){1|O<1>,2|C<3>,2|H<1>}	100.9145	0.114	2	100.9145	0.013	2	100.9145	0.013	2	101.8222	1.163	4	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]O)(H)2	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]O)(H)2{2|C<3>}	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH){1|O<1>,4|H<1>}	103.0310	0.000	1	103.0310	0.000	1	103.0310	0.000	1	101.8222	1.163	4	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:1:1:	4:3:3:2:	3:3:4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C[6a]-3:O-2:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]O)(H)2	C[5](C[5]C[5,5a]HH)(C[5]C[5,5a]N)(C[6a]C[6a]2)(OH)	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[5]C[5]HH)	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[5](C[5]C[5,5a]HH)(C[5]C[5,5a]N)(C[6a]C[6a]2)(OH){1|N<3>,2|H<1>,3|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[5]C[5]HH){1|N<2>,1|O<2>,3|C<3>}	102.3190	0.000	1	102.3190	0.000	1	102.3190	0.000	1	102.3190	0.000	1	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:1:1:	4:3:4:1:	3:3:4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,5a]HH)(C[5]C[5,5a]O)(CCCH)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]HH)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]CH)(H)2{1|N<3>,1|O<1>,2|C<3>}	C[5](C[5]C[5,5a]HH)(C[5]C[5,5a]O)(CCCH)(H){1|C<3>,1|N<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]HH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	103.0340	0.106	2	103.0340	0.011	2	103.0340	0.011	2	103.0340	0.011	2	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:1:1:	4:4:1:1:	3:2:4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5a]-3:N[5a]-2:C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5a]HH)2(H)2	C[5,5a](C[5,5a]C[5a,6]C[5])(N[5a]N[5a,6])(C[5]C[5]HH)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5](C[5]C[5,5a]HH)2(H)2{1|C<3>,1|N<2>}	C[5,5a](C[5,5a]C[5a,6]C[5])(N[5a]N[5a,6])(C[5]C[5]HH){1|C<3>,1|O<2>,4|H<1>}	101.7730	0.000	1	101.7730	0.000	1	101.7730	0.000	1	101.8680	0.007	3	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:1:1:	4:4:1:1:	3:2:4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5a]-3:S[5a]-2:C[5]-4:	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5a]HH)2(H)2	C[5,5a](C[5,5a]C[5a,6a]C[5])(S[5a]C[5a,6a])(C[5]C[5]HH)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[5,5a]HH)2(H)2{1|C<3>,1|S<2>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(S[5a]C[5a,6a])(C[5]C[5]HH){1|C<3>,1|N<2>,4|H<1>}	101.9155	0.036	2	101.9155	0.001	2	101.9155	0.001	2	101.8680	0.007	3	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,5a]C[5]N[5])(C[5]C[5,5a]HH)(H)2	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a])(C[5]C[5]HH)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5,5]HH)(H)2{1|C<4>,2|C<3>,2|N<3>}	C[5](C[5,5]C[5,5a]C[5]N[5])(C[5]C[5,5a]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a])(C[5]C[5]HH){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	101.9250	0.000	1	101.9250	0.000	1	101.9250	0.000	1	102.5266	0.732	41	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5a]HH)2(H)2	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]S[5a]C)(C[5]C[5]HH)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[5](C[5]C[5,5a]HH)2(H)2{2|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]S[5a]C)(C[5]C[5]HH){1|C<4>,4|H<1>}	101.5135	0.217	2	101.5135	0.047	2	102.6406	1.095	5	102.5266	0.732	41	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5a]HH)2(H)2	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]HH)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(H)2{1|S<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5a]HH)2(H)2{1|C<3>,1|S<2>}	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]HH){1|N<3>,4|H<1>}	103.3920	0.224	3	103.3920	0.050	3	102.6406	1.095	5	102.5266	0.732	41	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5a,6]-3:C[5,5a]-3:C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a,6])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5a]HH)2(H)2	C[5,5a](C[5a,6]N[5a,6]O[6])(C[5,5a]N[5a]C[5])(C[5]C[5]HH)	C[5](C[5,5a]C[5,5a]C[5a,6])(C[5]C[5]HH)(H)2{1|N<2>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5,5a]HH)2(H)2{1|C<3>,1|N<2>}	C[5,5a](C[5a,6]N[5a,6]O[6])(C[5,5a]N[5a]C[5])(C[5]C[5]HH){2|C<3>,4|H<1>}	103.4100	0.000	1	103.4100	0.000	1	103.4100	0.000	1	102.5266	0.732	41	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]HH)(H)2	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]HH)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	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[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]HH){3|C<3>,5|H<1>}	101.3360	0.000	1	101.3360	0.000	1	102.6230	1.247	3	102.5266	0.732	41	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5a]HH)2(H)2	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]S[5a]C[5])(C[5]C[5]HH)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(H)2{1|S<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5a]HH)2(H)2{1|C<3>,1|S<2>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]S[5a]C[5])(C[5]C[5]HH){1|N<2>,1|N<3>,1|O<1>,4|H<1>}	103.2665	0.098	2	103.2665	0.010	2	102.6230	1.247	3	102.5266	0.732	41	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]HH)(H)2	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]C[5]HH)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2{1|C<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]HH)(H)2{2|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]C[5]HH){2|C<3>,4|H<1>}	102.9845	0.721	2	103.2903	0.540	3	102.4898	0.705	31	102.5266	0.732	41	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]HH)(H)2	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]C[5]HH)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]HH)(H)2{2|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]C[5]HH){2|C<3>,4|H<1>}	103.9020	0.000	1	103.2903	0.540	3	102.4898	0.705	31	102.5266	0.732	41	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]HH)(H)2	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]HH)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]HH)(H)2{2|C<3>}	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]HH){1|C<3>,1|S<4>,4|H<1>}	103.7520	0.000	1	103.2520	0.500	2	102.4898	0.705	31	102.5266	0.732	41	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]HH)(H)2	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]HH)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]HH)(H)2{2|C<3>}	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]HH){1|C<3>,1|S<4>,4|H<1>}	102.7520	0.000	1	103.2520	0.500	2	102.4898	0.705	31	102.5266	0.732	41	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]HH)(H)2	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]HH)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]HH)(H)2{2|C<3>}	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]HH){3|C<3>,5|H<1>}	103.8650	0.000	1	102.8600	0.744	4	102.4898	0.705	31	102.5266	0.732	41	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]HH)(H)2	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]HH)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]HH)(H)2{2|C<3>}	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]HH){4|C<3>,4|H<1>}	102.5250	0.665	3	102.8600	0.744	4	102.4898	0.705	31	102.5266	0.732	41	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]HH)(H)2	C[5,5a](N[5,5a]N[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]HH)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2{1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]HH)(H)2{1|C<3>,1|N<2>}	C[5,5a](N[5,5a]N[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]HH){3|C<3>,4|H<1>}	102.0675	0.662	19	102.0675	0.439	19	102.4898	0.705	31	102.5266	0.732	41	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]HH)(H)2	C[5,5a](N[5,5a]N[5a]C[5])(C[5a]C[5a]S)(C[5]C[5]HH)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,1|S<4>,2|H<1>}	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]HH)(H)2{1|C<3>,1|N<2>}	C[5,5a](N[5,5a]N[5a]C[5])(C[5a]C[5a]S)(C[5]C[5]HH){1|C<4>,4|H<1>}	103.1500	0.000	1	103.1500	0.000	1	102.4898	0.705	31	102.5266	0.732	41	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2	C[5](C[5]N[5,5a]C[6a]H)(C[5]C[5,5a]HH)(H)2	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C[6a])(C[5]C[5]HH)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(H)2{1|H<1>,4|C<3>}	C[5](C[5]N[5,5a]C[6a]H)(C[5]C[5,5a]HH)(H)2{4|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C[6a])(C[5]C[5]HH){3|H<1>,5|C<3>}	103.4685	0.245	2	103.4685	0.060	2	102.4898	0.705	31	102.5266	0.732	41	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:1:1:	4:4:1:1:	3:4:2:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5]-4:S[5a]-2:	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5a]HH)(C[5]C[5,5a]HN)(H)2	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5]HH)(S[5a]C[5a])	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]C[5,5a]HH)(C[5]C[5,5a]HN)(H)2{1|C<3>,1|S<2>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5]HH)(S[5a]C[5a]){1|N<3>,5|H<1>}	101.2190	0.000	1	101.2190	0.000	1	101.1845	0.153	4	101.1845	0.153	4	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:1:1:	4:4:1:1:	3:4:2:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5]-4:S[5a]-2:	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,5a]HH)2(H)2	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5]HH)(S[5a]C[5a])	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[5,5a]HH)2(H)2{1|C<3>,1|S<2>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5]HH)(S[5a]C[5a]){1|C<3>,1|N<3>,4|H<1>}	101.1730	0.479	3	101.1730	0.229	3	101.1845	0.153	4	101.1845	0.153	4	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:1:1:	4:4:3:1:	3:3:4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]HH)(COO)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]HH)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]CH)(H)2{1|H<1>,1|N<3>,3|C<3>}	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[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]HH){4|C<3>,4|H<1>}	101.3590	0.000	1	101.3590	0.000	1	101.3590	0.000	1	102.4686	1.228	5	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:1:1:	4:4:3:1:	3:3:4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(H)2	C[5](C[5]N[5,5a]C[5a]H)(C[5]C[5,5a]HH)(COO)(H)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C[6a])(C[5]C[5]HH)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(H)2{1|H<1>,4|C<3>}	C[5](C[5]N[5,5a]C[5a]H)(C[5]C[5,5a]HH)(COO)(H){4|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C[6a])(C[5]C[5]HH){2|H<1>,6|C<3>}	103.4540	0.000	1	103.4540	0.000	1	103.4540	0.000	1	102.4686	1.228	5	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:1:1:	4:4:3:1:	3:3:4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]H)(H)2	C[5](C[5]C[5,5a]HH)2(C[6a]C[6a]2)(H)	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]S)(C[5]C[5]HH)	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[5](C[5]C[5,5a]HH)2(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,3|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]S)(C[5]C[5]HH){3|C<3>,3|H<1>}	101.1790	0.000	1	101.1790	0.000	1	101.1790	0.000	1	102.4686	1.228	5	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:1:1:	4:4:3:1:	3:3:4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]H)(H)2	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]HH)(C[6a]C[6a]2)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]HH)	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[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[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]HH){1|S<4>,3|H<1>,4|C<3>}	103.3270	0.000	1	103.3270	0.000	1	103.1755	0.046	2	102.4686	1.228	5	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:1:1:	4:4:3:1:	3:3:4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]H)(H)2	C[5](C[5]C[5,5a]HH)2(C[6a]C[6a]2)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]HH)	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[5](C[5]C[5,5a]HH)2(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,3|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]HH){1|S<4>,3|C<3>,4|H<1>}	103.0240	0.000	1	103.0240	0.000	1	103.1755	0.046	2	102.4686	1.228	5	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:1:1:	4:4:3:3:	3:3:4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,5a]HH)2(COO)2	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]N[5a]H)(C[5]C[5]HH)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]CC)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[5](C[5]C[5,5a]HH)2(COO)2{2|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]N[5a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	101.1875	0.047	2	101.1875	0.002	2	101.1875	0.002	2	101.3360	0.067	3	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:1:1:	4:4:3:3:	3:3:4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,5a]C[6a]C)(C[5]C[5,5a]HH)(COO)2	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[5]C[5]HH)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]CC)(H)2{1|C<4>,4|C<3>}	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[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[5]C[5]HH){6|C<3>}	101.6330	0.000	1	101.6330	0.000	1	101.6330	0.000	1	101.3360	0.067	3	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:1:1:	4:4:4:1:	3:3:4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]HH)(CCHO)(H)	C[5,5a](N[5,5a]N[5a]C[5])(C[5a]N[5a]H)(C[5]C[5]HH)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(H)2{2|N<2>,3|H<1>}	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]HH)(CCHO)(H){1|C<3>,1|N<2>}	C[5,5a](N[5,5a]N[5a]C[5])(C[5a]N[5a]H)(C[5]C[5]HH){1|C<4>,3|H<1>}	102.6000	0.000	1	102.6000	0.000	1	102.6000	0.000	1	102.6000	0.000	1	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:1:1:	4:4:4:1:	3:4:2:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5,5a]-3:C[5]-4:S[5a]-2:	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,5a]CC)(C[5]C[5,5a]HH)(CH3)(H)	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5]HH)(S[5a]C[5a])	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]CH)(H)2{1|C<2>,1|C<4>,2|C<3>}	C[5](C[5]C[5,5a]CC)(C[5]C[5,5a]HH)(CH3)(H){1|C<3>,1|S<2>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5]HH)(S[5a]C[5a]){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	102.6920	0.000	1	102.6920	0.000	1	102.6920	0.000	1	101.5105	2.792	2	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:1:1:	4:4:4:1:	3:4:2:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:S-4:H-1:	C[5,5a]-3:C[5]-4:S[5a]-2:	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]HS)(H)2	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]HH)(SC[6a]OO)(H)	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5]HH)(S[5a]C[5a])	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]HS)(H)2{1|H<1>,3|C<3>}	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[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5]HH)(S[5a]C[5a]){1|C<3>,1|S<4>,4|H<1>}	100.3290	0.000	1	100.3290	0.000	1	100.3290	0.000	1	101.5105	2.792	2	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:1:1:	4:4:4:4:	3:3:4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,5a]HH)2(CHHO)2	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]S[5a])(C[5]C[5]HH)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]CC)(H)2{1|S<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5a]HH)2(CHHO)2{2|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]S[5a])(C[5]C[5]HH){1|S<2>,2|C<3>,2|C<4>,2|H<1>}	103.1920	0.000	1	103.1920	0.000	1	103.4412	0.568	5	103.3404	0.526	7	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:1:1:	4:4:4:4:	3:3:4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,5a]HH)2(CHHO)2	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]S[5a])(C[5]C[5]HH)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]CC)(H)2{1|S<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5a]HH)2(CHHO)2{2|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]S[5a])(C[5]C[5]HH){2|C<4>,2|H<1>,3|C<3>}	103.6625	0.062	2	103.6625	0.004	2	103.4412	0.568	5	103.3404	0.526	7	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:1:1:	4:4:4:4:	3:3:4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,5a]HH)2(CHHO)2	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]S[5a]C[5])(C[5]C[5]HH)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]CC)(H)2{1|S<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5a]HH)2(CHHO)2{2|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]S[5a]C[5])(C[5]C[5]HH){1|Si<2>,2|C<3>,2|C<4>,2|H<1>}	102.3220	0.000	1	102.3220	0.000	1	103.4412	0.568	5	103.3404	0.526	7	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:1:1:	4:4:4:4:	3:3:4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,5a]HH)2(CHHO)2	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]S[5a]H)(C[5]C[5]HH)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]CC)(H)2{1|C<3>,1|S<2>,3|H<1>}	C[5](C[5]C[5,5a]HH)2(CHHO)2{2|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]S[5a]H)(C[5]C[5]HH){2|C<4>,3|H<1>}	104.3670	0.000	1	104.3670	0.000	1	103.4412	0.568	5	103.3404	0.526	7	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:1:1:	4:4:4:4:	3:3:4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]HH)(CH3)2	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]HH)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]CC)(H)2{1|H<1>,1|N<3>,3|C<3>}	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[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]HH){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	102.4960	0.000	1	102.4960	0.000	1	102.4960	0.000	1	103.3404	0.526	7	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:1:1:	4:4:4:4:	3:3:4:	C[5,5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]HH)(CH3)2	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]HH)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CC)(H)2{2|H<1>,3|C<3>}	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]HH)(CH3)2{2|C<3>}	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]HH){2|C<4>,3|C<3>,3|H<1>}	103.6810	0.000	1	103.6810	0.000	1	103.6810	0.000	1	103.3404	0.526	7	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:2:1:	4:4:1:1:	3:3:4:	C[5,5a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(OC)(H)	C[5](C[5]N[5,5a]C[6a]H)(C[5]C[5,5a]HO)(H)2	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C[6])(C[5]C[5]HO)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(OC)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]N[5,5a]C[6a]H)(C[5]C[5,5a]HO)(H)2{4|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C[6])(C[5]C[5]HO){2|C<4>,3|C<3>,4|H<1>}	102.5710	0.000	1	102.5710	0.000	1	102.5710	0.000	1	102.5710	0.000	1	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:2:1:	4:4:2:1:	3:3:4:	C[5,5a]-3:C[5]-4:N-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HO)(NN)(H)	C[5](C[5]C[5,5a]HN)(C[5]N[5,5a]HH)(OH)(H)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]C[5]HN)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HO)(NN)(H){2|H<1>,3|C<3>}	C[5](C[5]C[5,5a]HN)(C[5]N[5,5a]HH)(OH)(H){2|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]C[5]HN){1|O<2>,2|C<3>,3|H<1>}	102.5710	0.000	1	102.5710	0.000	1	102.5710	0.000	1	102.5710	0.000	1	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:3:1:	3:4:1:1:	3:3:4:	C[5,5a]-3:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,5a,6a]-3:C[5a]-3:C[5]-4:	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[5,5a](C[5,5a,6a]C[5a,6a]C[5,6a])(C[5a]C[6a]N[5a])(C[5]C[6a]C[5]H)	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[5,5a](C[5,5a,6a]C[5a,6a]C[5,6a])(C[5a]C[6a]N[5a])(C[5]C[6a]C[5]H){1|S<4>,2|H<1>,6|C<3>}	102.8970	0.000	1	102.8970	0.000	1	102.8970	0.000	1	102.8970	0.000	1	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:3:1:	4:4:1:1:	3:3:4:	C[5,5a]-3:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(NHS)(H)	C[5](C[5]C[5,5a]HH)(C[5]C[5,5a]HN)(H)2	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HN)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]HH)(NHS)(H){1|C<3>,1|S<2>,3|H<1>}	C[5](C[5]C[5,5a]HH)(C[5]C[5,5a]HN)(H)2{1|C<3>,1|S<2>}	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HN){5|H<1>}	102.2280	0.000	1	102.2280	0.000	1	102.2280	0.000	1	102.2280	0.000	1	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:3:1:	4:4:3:1:	3:3:4:	C[5,5a]-3:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5]H)(CCO)(H)	C[5](C[5]C[5,5a]C[6a]C)(C[5]C[5,5a]CH)(C[6a]C[6a]2)(H)	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[5]C[5]CH)	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[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[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[5]C[5]CH){1|H<1>,5|C<3>}	101.6620	0.000	1	101.6620	0.000	1	101.6620	0.000	1	101.7200	0.016	3	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:3:1:	4:4:3:1:	3:3:4:	C[5,5a]-3:C[5]-4:C[6]-3:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]H)(C[6]C[6]2)(H)	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[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]C[6]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){1|O<1>,2|C<4>,2|N<3>,6|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[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]C[6]H){3|H<1>,7|C<3>}	101.6320	0.000	1	101.6320	0.000	1	101.6320	0.000	1	101.7200	0.016	3	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:3:1:	4:4:3:1:	3:3:4:	C[5,5a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[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[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]C[5]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){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[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]C[5]H){4|H<1>,6|C<3>}	101.8660	0.000	1	101.8660	0.000	1	101.8660	0.000	1	101.7200	0.016	3	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:3:1:	4:4:3:1:	3:4:3:	C[5,5a]-3:C[5]-4:C[5a]-3:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5a]-3:C[5]-4:N[5a]-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)	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[5,5a](C[5,5a]C[5a,6a]C[5,5])(C[5]C[5a]C[5]H)(N[5a]C[5a,6a]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){1|C<4>,2|H<1>,8|C<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){1|O<1>,2|H<1>,3|N<3>,6|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5,5])(C[5]C[5a]C[5]H)(N[5a]C[5a,6a]H){1|H<1>,1|N<3>,6|C<3>}	99.9464	0.000	1	99.9464	0.000	1	99.9464	0.000	1	100.1017	0.048	2	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:3:1:	4:4:3:1:	3:4:3:	C[5,5a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,5a]-3:C[5]-4:N[5a]-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[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(N[5a]C[5a,6a]S)	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[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(N[5a]C[5a,6a]S){3|H<1>,5|C<3>}	100.2570	0.000	1	100.2570	0.000	1	100.2570	0.000	1	100.1017	0.048	2	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:3:1:	4:4:4:1:	3:3:4:	C[5,5a]-3:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(CN[5]O)(H)	C[5](C[5]C[5,5a]CH)(C[5]N[5,5a]HH)(CH3)(H)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]C[5]CH)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(CN[5]O)(H){2|H<1>,3|C<3>}	C[5](C[5]C[5,5a]CH)(C[5]N[5,5a]HH)(CH3)(H){2|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]C[5]CH){1|C<4>,2|C<3>,3|H<1>}	101.9420	0.000	1	101.9420	0.000	1	101.9420	0.000	1	101.9420	0.000	1	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:3:2:	4:4:4:1:	3:3:4:	C[5,5a]-3:C[5]-4:C-3:O-2:	C[5]-4:C[5]-4:C-4:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(COO)(OH)	C[5](C[5]C[5,5a]CO)(C[5]N[5,5a]CH)(CCHO)(H)	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]CO)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(COO)(OH){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5a]CO)(C[5]N[5,5a]CH)(CCHO)(H){2|C<3>}	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]CO){2|Br<1>,2|C<4>,2|H<1>}	102.1530	0.000	1	102.1530	0.000	1	102.1530	0.000	1	102.1530	0.000	1	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:3:3:	4:4:3:1:	3:3:4:	C[5,5a]-3:C[5]-4:C[6a]-3:C-3:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[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[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]C[5]C)	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[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]C[5]C){1|C<4>,3|H<1>,6|C<3>}	101.4280	0.000	1	101.4280	0.000	1	101.4280	0.000	1	101.4280	0.000	1	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:3:3:	4:4:3:1:	3:4:3:	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[5,5a]-3:C[5]-4:N[5a]-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[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]2C[5])(N[5a]C[5a,6a]H)	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[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]2C[5])(N[5a]C[5a,6a]H){2|H<1>,8|C<3>}	96.7524	0.000	1	96.7524	0.000	1	97.3513	0.382	3	97.3513	0.382	3	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:3:3:	4:4:3:1:	3:4:3:	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[5,5a]-3:C[5]-4:N[5a]-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[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]2C[5])(N[5a]C[5a,6a]H)	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[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]2C[5])(N[5a]C[5a,6a]H){2|H<1>,8|C<3>}	97.9873	0.000	1	97.9873	0.000	1	97.3513	0.382	3	97.3513	0.382	3	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:3:3:	4:4:3:1:	3:4:3:	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[5,5a]-3:C[5]-4:N[5a]-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[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]2C[5])(N[5a]C[5a,6a]H)	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[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]2C[5])(N[5a]C[5a,6a]H){1|N<3>,2|H<1>,7|C<3>}	97.3141	0.000	1	97.3141	0.000	1	97.3513	0.382	3	97.3513	0.382	3	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:3:4:	4:4:3:4:	3:4:3:	C[5,5a]-3:C[5]-4:C[6a]-3:C-4:	C[5,5]-4:C[5]-4:C[6a]-3:C-4:	N[5,5a]-3:C[5]-4:C[5a]-3:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5,5]C[6a]C)(C[6a]C[6a]2)(CH3)	C[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[5,5a](N[5,5a]C[5a,6a]C[5,5])(C[5]C[6a]C[5]C)(C[5a]C[5a,6a]H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5,5]C[6a]C)(C[6a]C[6a]2)(CH3){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	C[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[5,5a](N[5,5a]C[5a,6a]C[5,5])(C[5]C[6a]C[5]C)(C[5a]C[5a,6a]H){1|N<3>,2|C<4>,5|C<3>}	100.0190	0.000	1	100.0190	0.000	1	100.0190	0.000	1	100.0190	0.000	1	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:4:1:	4:3:3:1:	3:3:4:	C[5,5a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]CH)(CCCH)(H)	C[5](C[5]C[5,5a]CH)(C[5]C[5,5a]O)(COO)(H)	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]CH)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]CH)(CCCH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[5](C[5]C[5,5a]CH)(C[5]C[5,5a]O)(COO)(H){1|C<3>,1|N<3>}	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]CH){1|C<3>,1|O<1>,3|H<1>}	101.9430	0.000	1	101.9430	0.000	1	101.9430	0.000	1	101.9430	0.000	1	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:4:1:	4:3:4:3:	3:3:4:	C[5,5a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]CC)(CCCH)(H)	C[5](C[5]C[5,5a]CH)(C[5]C[5,5a]O)(CCHH)(COO)	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]CH)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]CC)(CCCH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[5](C[5]C[5,5a]CH)(C[5]C[5,5a]O)(CCHH)(COO){1|C<3>,1|N<3>}	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]CH){1|C<3>,1|O<1>,1|S<4>,2|C<4>}	100.6180	0.000	1	100.6180	0.000	1	100.6180	0.000	1	100.6180	0.000	1	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:4:1:	4:4:1:1:	3:2:4:	C[5,5a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5a]-3:N[5a]-2:C[5]-4:	C[5](C[5,5a]N[5,5a]N[5a])(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5,5a]CH)(C[5]N[5,5a]HH)(H)2	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(C[5]C[5]CH)	C[5](C[5,5a]N[5,5a]N[5a])(C[5]C[5]HH)(CCHH)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5,5a]CH)(C[5]N[5,5a]HH)(H)2{1|C<3>,1|N<2>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(C[5]C[5]CH){2|C<3>,4|H<1>}	101.3960	0.000	1	101.3960	0.000	1	101.3960	0.000	1	101.3960	0.000	1	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5,5a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5,5a]CH)(C[5]N[5,5a]HH)(H)2	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]CH)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(CCHH)(H){2|H<1>,3|C<3>}	C[5](C[5]C[5,5a]CH)(C[5]N[5,5a]HH)(H)2{2|C<3>}	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]CH){1|C<3>,5|H<1>}	101.6355	0.243	2	101.6355	0.059	2	101.6355	0.059	2	101.6355	0.059	2	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:4:1:	4:4:2:1:	3:3:4:	C[5,5a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-2:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(CH3)(H)	C[5](C[5]N[5,5a]C[5a]H)(C[5]C[5,5a]CH)(CN)(H)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]C[5]CH)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(CH3)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]N[5,5a]C[5a]H)(C[5]C[5,5a]CH)(CN)(H){4|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]C[5]CH){1|C<2>,2|H<1>,3|C<3>}	100.9980	0.000	1	100.9980	0.000	1	100.9980	0.000	1	100.9980	0.000	1	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[5,5a]-3:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5,5]CH)(CF3)(H)	C[5](C[5,5]C[5,5a]S[5]2)(C[5]C[5,5a]CH)(CC[6a]O)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a])(C[5]C[5]CH)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5,5]CH)(CF3)(H){1|N<3>,2|C<3>,2|S<2>}	C[5](C[5,5]C[5,5a]S[5]2)(C[5]C[5,5a]CH)(CC[6a]O)(H){1|C<3>,1|N<3>,2|C<4>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a])(C[5]C[5]CH){1|C<4>,2|H<1>,2|S<2>,3|C<3>}	103.0580	0.000	2	103.0580	0.000	2	103.0580	0.000	2	102.3969	8.049	7	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[5,5a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(CCHH)(H)	C[5](C[5]C[5,5a]CH)(C[5]N[5,5a]HH)(COO)(H)	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]CH)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(CCHH)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,5a]CH)(C[5]N[5,5a]HH)(COO)(H){2|C<3>}	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]CH){1|C<3>,5|H<1>}	100.3350	0.000	1	100.3350	0.000	1	101.2355	1.622	2	102.3969	8.049	7	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[5,5a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(CCHH)(H)	C[5](C[5]N[5,5a]C[5a]H)(C[5]C[5,5a]CH)(COO)(H)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]C[5]CH)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]N[5,5a]C[5a]H)(C[5]C[5,5a]CH)(COO)(H){1|N<3>,3|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]C[5]CH){2|H<1>,4|C<3>}	102.1360	0.000	1	102.1360	0.000	1	101.2355	1.622	2	102.3969	8.049	7	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[5,5a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[6a]C[5]H)(CC[6a]HH)(H)	C[5](C[5]N[5,5a]C[5a]H)(C[5]C[5,5a]CH)(C[6a]C[6a]2)(H)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]C[5]CH)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[6a]C[5]H)(CC[6a]HH)(H){1|C<4>,1|H<1>,5|C<3>}	C[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[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]C[5]CH){2|H<1>,4|C<3>}	102.0840	0.000	1	102.0840	0.000	1	102.0840	0.000	1	102.3969	8.049	7	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[5,5a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]HN)(CCHH)(H)	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]CH)(NOO)(H)	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(C[5]C[5]CH)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]HN)(CCHH)(H){2|H<1>,3|C<3>}	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]CH)(NOO)(H){1|N<3>,3|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(C[5]C[5]CH){1|N<3>,2|H<1>,3|C<3>}	98.4635	0.000	1	98.4635	0.000	1	98.4635	0.000	1	102.3969	8.049	7	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[5,5a]-3:C[5]-4:Si-4:H-1:	C[5]-4:Si[5]-4:C[6a]-3:H-1:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]Si[5]H)(SiCCH)(H)	C[5](C[5]C[5,5a]SiH)(Si[5]C[5,5a]CC)(C[6a]C[6a]2)(H)	C[5,5a](C[5,5a]C[5a,6a]Si[5])(N[5a]C[5a,6a]C)(C[5]C[5]SiH)	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[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[5,5a](C[5,5a]C[5a,6a]Si[5])(N[5a]C[5a,6a]C)(C[5]C[5]SiH){1|H<1>,2|C<4>,3|C<3>}	107.6440	0.000	1	107.6440	0.000	1	107.6440	0.000	1	102.3969	8.049	7	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:4:2:	4:4:4:1:	3:3:4:	C[5,5a]-3:C[5]-4:C-4:C-2:	C[5]-4:C[5]-4:C-4:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]CH)(CCCH)(CN)	C[5](C[5]C[5,5a]CC)(C[5]C[5,5a]HH)(CH3)(H)	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]CC)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]CH)(CCCH)(CN){1|C<3>,1|S<2>,3|H<1>}	C[5](C[5]C[5,5a]CC)(C[5]C[5,5a]HH)(CH3)(H){1|C<3>,1|S<2>}	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,3|H<1>}	102.1440	0.000	1	102.1440	0.000	1	102.1440	0.000	1	102.6070	0.429	2	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:4:2:	4:4:4:1:	3:3:4:	C[5,5a]-3:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:C-4:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(CCl3)(OH)	C[5](C[5]C[5,5a]CO)(C[5]N[5,5a]CH)(CHHO)(H)	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]CO)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(CCl3)(OH){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5a]CO)(C[5]N[5,5a]CH)(CHHO)(H){2|C<3>}	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]CO){2|Br<1>,2|C<4>,2|H<1>}	103.0700	0.000	1	103.0700	0.000	1	103.0700	0.000	1	102.6070	0.429	2	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:4:3:	4:4:1:1:	3:3:4:	C[5,5a]-3:C[5]-4:C-4:C-3:	C[5]-4:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(CH3)(COO)	C[5](C[5]C[5,5a]C[5a]C)(C[5]C[5,5a]CC)(H)2	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]CC)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(CH3)(COO){1|N<3>,4|C<3>}	C[5](C[5]C[5,5a]C[5a]C)(C[5]C[5,5a]CC)(H)2{1|N<3>,3|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]CC){1|C<4>,3|H<1>,4|C<3>}	100.9100	0.000	1	100.9100	0.000	1	100.9100	0.000	1	100.9100	0.000	1	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:4:4:	4:3:2:1:	3:3:4:	C[5,5a]-3:C[5]-4:C-4:C-4:	C[5]-4:C[5]-3:O-2:H-1:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]HO)(CH3)2	C[5](C[5]C[5,5a]CC)(C[5]C[5,5a]O)(OH)(H)	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(C[5]C[5]CC)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]HO)(CH3)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,5a]CC)(C[5]C[5,5a]O)(OH)(H){1|C<3>,1|N<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(C[5]C[5]CC){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	99.6000	0.000	1	99.6000	0.000	1	99.6000	0.000	1	99.6000	0.000	1	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,5a]-3:C[5]-4:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(CH3)2	C[5](C[5]C[5,5a]C[5a]C)(C[5]C[5,5a]CC)(H)2	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]CC)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(CH3)2{1|C<4>,1|N<3>,3|C<3>}	C[5](C[5]C[5,5a]C[5a]C)(C[5]C[5,5a]CC)(H)2{1|N<3>,3|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]CC){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	100.2670	0.000	1	100.8117	0.239	3	100.8117	0.239	3	100.8117	0.239	3	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,5a]-3:C[5]-4:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(CH3)2	C[5](C[5]C[5,5a]C[5a]C)(C[5]C[5,5a]CC)(H)2	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]CC)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(CH3)2{1|C<4>,1|N<3>,3|C<3>}	C[5](C[5]C[5,5a]C[5a]C)(C[5]C[5,5a]CC)(H)2{1|N<3>,3|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]CC){1|C<4>,3|H<1>,4|C<3>}	100.9550	0.000	1	100.8117	0.239	3	100.8117	0.239	3	100.8117	0.239	3	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,5a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,5a]-3:C[5]-4:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(CH3)2	C[5](C[5]C[5,5a]C[5a]C)(C[5]C[5,5a]CC)(H)2	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]CC)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(CH3)2{1|C<4>,1|N<3>,3|C<3>}	C[5](C[5]C[5,5a]C[5a]C)(C[5]C[5,5a]CC)(H)2{1|N<3>,3|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]CC){2|C<4>,3|C<3>,3|H<1>}	101.2130	0.000	1	100.8117	0.239	3	100.8117	0.239	3	100.8117	0.239	3	101.7800	2.563	140	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:3:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]Cl)(C[5]C[6a]2C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]Cl)(C[5]C[6a]2C[5]){1|C<4>,4|H<1>,6|C<3>}	99.4530	0.000	1	99.8655	0.340	2	99.8655	0.340	2	99.9353	0.185	3	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:3:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]Cl)(C[5]C[6a]2C[5])	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]Cl)(C[5]C[6a]2C[5]){4|H<1>,7|C<3>}	100.2780	0.000	1	99.8655	0.340	2	99.8655	0.340	2	99.9353	0.185	3	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:3:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[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[5,6a](C[6a]C[6a,6a]C[5a])(C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])	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[5,6a](C[6a]C[6a,6a]C[5a])(C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5]){4|H<1>,9|C<3>}	100.0750	0.000	1	100.0750	0.000	1	100.0750	0.000	1	99.9353	0.185	3	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:3:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4: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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[5,6a]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[5,6a]C){3|C<4>,3|H<1>,5|C<3>}	100.1955	0.281	2	100.1955	0.079	2	100.4690	0.246	4	100.4690	0.246	4	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:3:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4: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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H){5|H<1>,6|C<3>}	100.3190	0.000	1	100.3190	0.000	1	100.4690	0.246	4	100.4690	0.246	4	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:3:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4: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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H){1|C<4>,4|H<1>,6|C<3>}	101.1660	0.000	1	101.1660	0.000	1	100.4690	0.246	4	100.4690	0.246	4	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:3:4:	4:4:2:2:	3:4:3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:C-2:C-2:	C[5,6a]-3:C[5]-4: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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H){2|C<2>,4|H<1>,5|C<3>}	100.0430	0.000	1	100.0430	0.000	1	100.0430	0.000	1	100.0430	0.000	1	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:4:1:	4:2:2:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]HO)(H)	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(OC)(H)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C)	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[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C){1|H<1>,2|O<2>,4|C<3>}	100.6700	0.000	1	100.6700	0.000	1	100.6700	0.000	1	100.6700	0.000	1	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:4:1:	4:2:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)	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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H){3|H<1>,6|C<3>}	99.8473	0.820	2	99.8473	0.672	2	99.8473	0.672	2	99.2766	0.529	14	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:4:1:	4:2:3:1:	3:3:4:	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[5,6a]-3:C[5]-4:	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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)	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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H){1|N<3>,3|H<1>,5|C<3>}	100.0630	0.000	1	100.0630	0.000	1	99.1815	0.494	12	99.2766	0.529	14	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:4:1:	4:2:3:1:	3:3:4:	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[5,6a]-3:C[5]-4:	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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H){1|N<3>,3|H<1>,5|C<3>}	98.6662	0.822	3	99.1013	0.459	11	99.1815	0.494	12	99.2766	0.529	14	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:4:1:	4:2:3:1:	3:3:4:	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[5,6a]-3:C[5]-4:	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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)	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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H){1|Br<1>,1|N<3>,2|H<1>,5|C<3>}	98.9358	0.684	4	99.1013	0.459	11	99.1815	0.494	12	99.2766	0.529	14	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:4:1:	4:2:3:1:	3:3:4:	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[5,6a]-3:C[5]-4:	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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)	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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H){1|N<3>,3|H<1>,5|C<3>}	99.5932	0.252	4	99.1013	0.459	11	99.1815	0.494	12	99.2766	0.529	14	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	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:C-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]N[6a]O)	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[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]N[6a]O){1|C<4>,1|H<1>,5|C<3>}	99.9214	0.000	1	99.9214	0.000	1	99.4861	1.295	8	99.5800	1.094	11	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	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:C-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]O[6a]O)	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[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]O[6a]O){1|H<1>,5|C<3>}	98.7841	0.229	4	98.7841	0.053	4	99.4861	1.295	8	99.5800	1.094	11	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	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:C-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(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){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[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|Br<1>,2|H<1>,4|C<3>}	100.9700	0.000	1	101.1705	0.080	2	99.4861	1.295	8	99.5800	1.094	11	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	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:C-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(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){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[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){3|H<1>,4|C<3>}	101.3710	0.000	1	101.1705	0.080	2	99.4861	1.295	8	99.5800	1.094	11	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	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:C-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(CC[6a]O)(H)	C[5,6a](C[5,6a]N[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a,6a]O)	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[5,6a](C[5,6a]N[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a,6a]O){1|H<1>,5|C<3>}	98.4903	0.000	1	98.4903	0.000	1	99.4861	1.295	8	99.5800	1.094	11	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	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[5,6a]-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[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]O[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[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]O[6a]O){1|H<1>,1|N<3>,4|C<3>}	99.0433	0.000	1	99.0433	0.000	1	99.8303	0.806	3	99.5800	1.094	11	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	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[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]HN)(H)	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(NOO)(H)	C[5,6a](C[5,6a]C[5a,6a]O[5])(C[5]C[6a]C[5]H)(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){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[5,6a](C[5,6a]C[5a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	100.8080	0.000	1	100.8080	0.000	1	99.8303	0.806	3	99.5800	1.094	11	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	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[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]HN)(H)	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(NOO)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[5,6a]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[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[5,6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	99.6397	0.000	1	99.6397	0.000	1	99.8303	0.806	3	99.5800	1.094	11	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:4:1:	4:2:3:2:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:C-3:C-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CC)(H)	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(CNO)(CN)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<2>,1|H<1>,5|C<3>}	98.5276	0.000	1	98.5276	0.000	1	98.5276	0.000	1	98.5276	0.000	1	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:4:1:	4:2:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:C-3:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CC)(H)	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(CNO)2	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|H<1>,6|C<3>}	99.4573	0.000	1	99.4573	0.000	1	99.4573	0.000	1	99.4573	0.000	1	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:4:1:	4:2:4:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(CCCH)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(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[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	100.7450	0.000	1	100.7450	0.000	1	100.7450	0.000	1	100.7450	0.000	1	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:4:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)	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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H){1|S<4>,4|H<1>,5|C<3>}	102.9320	0.000	1	102.9320	0.000	1	102.9320	0.000	1	102.9320	0.000	1	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	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[5,6a]-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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,3|C<3>,3|H<1>}	103.3595	0.098	2	103.3595	0.010	2	103.4635	0.124	4	102.8370	2.056	5	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	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[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]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]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|O<1>,3|C<3>,4|H<1>}	103.9670	0.000	1	103.5675	0.319	2	103.4635	0.124	4	102.8370	2.056	5	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	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[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]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]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	103.1680	0.000	1	103.5675	0.319	2	103.4635	0.124	4	102.8370	2.056	5	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	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:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]S)(H)2	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[5]C[6a]C[5]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)(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[5,6a](C[5,6a]C[6a,6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|S<4>,3|H<1>,4|C<3>}	100.3310	0.000	1	100.3310	0.000	1	100.3310	0.000	1	102.8370	2.056	5	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:4:1:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[5a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H)	C[5](C[5]C[5,6a]C[5a]H)(C[5]C[5,6a]O)(CNO)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5a]H)(C[5]C[5,6a]O)(CNO)(H){4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H){1|O<1>,3|H<1>,4|C<3>}	104.3435	0.210	2	104.3435	0.044	2	104.3435	0.044	2	103.3364	1.130	5	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:4:1:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-3:F-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CF)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(COO)(F)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]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]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|F<1>,1|O<1>,2|H<1>,4|C<3>}	103.4630	0.000	1	103.4630	0.000	1	103.4630	0.000	1	103.3364	1.130	5	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:4:1:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[5](C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]S)(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]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]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[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|S<4>,3|H<1>,4|C<3>}	102.2660	0.376	2	102.2660	0.142	2	102.2660	0.142	2	103.3364	1.130	5	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:4:1:	4:3:3:3:	3:4:3:	C[5,6a]-3:N[5a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-3:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[5]C[5]CC)(H)	C[5](C[5]C[5,6a]N[5a]H)(C[5]C[5,6a]C)(COO)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5a]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[5]C[5]CC)(H){2|H<1>,6|C<3>}	C[5](C[5]C[5,6a]N[5a]H)(C[5]C[5,6a]C)(COO)2{4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5a]C[5]H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	102.2560	0.000	1	102.2560	0.000	1	102.2560	0.000	1	102.2560	0.000	1	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:4:1:	4:3:4:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(CH3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	102.5110	0.000	1	102.5110	0.000	1	102.5110	0.000	1	102.7837	0.220	3	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:4:1:	4:3:4:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]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]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	102.9200	0.573	2	102.9200	0.328	2	102.9200	0.328	2	102.7837	0.220	3	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:4:1:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C[6a]H)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C){1|C<4>,4|C<3>,4|H<1>}	101.3420	0.000	1	102.1840	1.418	2	101.6407	0.341	31	101.7376	0.433	35	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:4:1:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C[6a]H)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C){2|H<1>,3|C<4>,4|C<3>}	103.0260	0.000	1	102.1840	1.418	2	101.6407	0.341	31	101.7376	0.433	35	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:4:1:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C[6a]H)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]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]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|F<1>,3|H<1>,4|C<3>}	101.5760	0.000	1	101.3899	0.143	21	101.6407	0.341	31	101.7376	0.433	35	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:4:1:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C[6a]H)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]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]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	101.2696	0.423	7	101.3899	0.143	21	101.6407	0.341	31	101.7376	0.433	35	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:4:1:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C[6a]H)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]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]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	101.4642	0.365	5	101.3899	0.143	21	101.6407	0.341	31	101.7376	0.433	35	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:4:1:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C[6a]H)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]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]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	101.4513	0.415	7	101.3899	0.143	21	101.6407	0.341	31	101.7376	0.433	35	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:4:1:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C[6a]H)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]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]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	101.2440	0.000	1	101.3899	0.143	21	101.6407	0.341	31	101.7376	0.433	35	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:4:1:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]B[5]H)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]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]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|B<3>,3|C<3>,5|H<1>}	101.8460	0.017	2	101.8460	0.000	2	101.6407	0.341	31	101.7376	0.433	35	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:4:1:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C){3|C<3>,3|C<4>,3|H<1>}	103.3430	0.000	1	103.3430	0.000	1	101.6407	0.341	31	101.7376	0.433	35	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:4:1:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]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]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){3|C<3>,6|H<1>}	102.0546	0.224	5	102.0546	0.050	5	101.6407	0.341	31	101.7376	0.433	35	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:4:1:	4:4:1:1:	3:4:3:	C[5,6a]-3:N[5a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[5]C[5]FH)(H)	C[5](C[5]C[5,6a]N[5a]H)(C[5]C[5,6a]HH)(F)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5a]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[5]C[5]FH)(H){1|N<2>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]N[5a]H)(C[5]C[5,6a]HH)(F)(H){1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5a]C[5]H)(C[6a]C[6a]H){1|F<1>,1|N<2>,2|C<3>,5|H<1>}	101.3890	0.000	1	101.3890	0.000	1	101.3890	0.000	1	101.7376	0.433	35	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:4:1:	4:4:1:1:	3:4:3:	C[5,6a]-3:N[5a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(H)	C[5](C[5]C[5,6a]N[5a]H)(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5a]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(H){1|N<2>,4|C<3>,4|H<1>}	C[5](C[5]C[5,6a]N[5a]H)(C[5]C[5,6a]HH)(H)2{4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5a]C[5]H)(C[6a]C[6a]H){3|C<3>,6|H<1>}	103.0910	0.148	2	103.0910	0.022	2	103.0910	0.022	2	101.7376	0.433	35	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:4:1:	4:4:1:1:	3:4:3:	C[5,6a]-3:N[6,6]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[6,6]C[6,6]P[6,6])(C[5]C[5]HH)(H)	C[5](C[5]C[5,6a]N[6,6]H)(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[6,6]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[6,6]C[6,6]P[6,6])(C[5]C[5]HH)(H){2|O<2>,4|C<3>,4|H<1>}	C[5](C[5]C[5,6a]N[6,6]H)(C[5]C[5,6a]HH)(H)2{1|C<4>,1|P<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[6,6]C[5]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|P<3>,6|H<1>}	102.3820	0.000	1	102.3820	0.000	1	102.3820	0.000	1	101.7376	0.433	35	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:4:1:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(COO)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]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]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	101.1400	0.000	1	101.1400	0.000	1	101.5485	0.334	2	101.5485	0.334	2	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:4:1:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]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]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){4|C<3>,5|H<1>}	101.9570	0.000	1	101.9570	0.000	1	101.5485	0.334	2	101.5485	0.334	2	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:4:1:	4:4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(COO)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]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]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	102.0290	0.000	1	102.0290	0.000	1	102.0290	0.000	1	102.0290	0.000	1	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:4:1:	4:4:4:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:S-4:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)	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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H){1|S<4>,5|C<3>,5|H<1>}	102.5350	0.000	1	102.5350	0.000	1	102.5350	0.000	1	102.5350	0.000	1	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	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[5,6a]-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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	102.6180	0.000	1	102.6180	0.000	1	100.9603	1.774	4	102.1337	1.811	10	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	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[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(CCCH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]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]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	100.2940	1.257	2	100.2940	1.580	2	100.9603	1.774	4	102.1337	1.811	10	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	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[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[5]H)(CCHH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]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]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	100.6350	0.000	1	100.6350	0.000	1	100.9603	1.774	4	102.1337	1.811	10	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	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[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]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]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	103.4435	0.047	2	103.4435	0.002	2	102.9772	0.500	4	102.1337	1.811	10	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	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[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]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]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	102.5110	0.793	2	102.5110	0.629	2	102.9772	0.500	4	102.1337	1.811	10	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	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:S-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,3|C<3>,3|H<1>}	102.4400	0.000	1	102.4400	0.000	1	102.7935	0.250	2	102.1337	1.811	10	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	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:S-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]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){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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|Br<1>,1|S<4>,3|C<3>,4|H<1>}	103.1470	0.000	1	103.1470	0.000	1	102.7935	0.250	2	102.1337	1.811	10	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:4:2:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:C-2:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]HH)(CN)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]S)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]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[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	101.2900	0.000	1	101.2900	0.000	1	101.2900	0.000	1	101.2900	0.000	1	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:4:2:	4:3:2:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:O-2:	C[5]-4:N[5]-3:O-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]HO)(OC)	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]C)(OC)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	101.1660	0.000	1	101.1660	0.000	1	101.1660	0.000	1	101.1660	0.000	1	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:4:2:	4:3:4:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:O-2:	C[5]-4:C[5]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]O)(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)(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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	102.0450	0.000	1	102.0450	0.000	1	102.0450	0.000	1	102.0450	0.000	1	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:4:2:	4:4:1:1:	3:2:4:	C[5,6a]-3:C[5]-3:C[5]-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6a]-3:N[6a]-2:C[5]-4:	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]N[5])(C[5]C[5]HH)(OH)	C[5](C[5]C[5,6a]C[5]O)(C[5]N[5,6a]HH)(H)2	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]2O)	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]N[5])(C[5]C[5]HH)(OH){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6a]C[5]O)(C[5]N[5,6a]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]2O){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	102.1860	0.000	1	102.1860	0.000	1	102.1860	0.000	1	102.1860	0.000	1	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:4:2:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(OC)	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]CH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]O)(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)(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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|C<2>,3|C<3>,5|H<1>}	102.0000	0.000	1	102.0000	0.000	1	101.9040	0.010	3	101.9040	0.010	3	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:4:2:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(OH)	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]CC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]O)(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)(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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	101.8560	0.082	2	101.8560	0.007	2	101.9040	0.010	3	101.9040	0.010	3	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:4:3:	4:2:4:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:C-3:	C[5]-4:O[5]-2:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]CH)(COO)	C[5](C[5]C[5,6a]C[6a]C)(O[5]C[5,6a])(CCHH)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]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[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	101.5070	0.000	1	101.5070	0.000	1	101.5070	0.000	1	101.5070	0.000	1	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:4:3:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:C-3:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CNO)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){3|C<3>,6|H<1>}	101.1840	0.000	1	101.1840	0.000	1	101.3190	0.036	2	101.3190	0.036	2	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:4:3:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:C-3:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(COO)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]CC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	101.4540	0.000	1	101.4540	0.000	1	101.3190	0.036	2	101.3190	0.036	2	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:4:3:	4:4:4:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:O-3:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH)(OAlNi)	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]HH)(CNiHH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	104.0120	0.000	1	104.0120	0.000	1	104.0120	0.000	1	104.0120	0.000	1	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:4:3:	4:4:4:2:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:C-3:	C[5]-4:C[5]-4:C-4:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CO)(COO)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]HH)(CH3)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]O){1|Br<1>,1|C<4>,1|O<2>,3|C<3>,3|H<1>}	100.8750	0.000	1	100.8750	0.000	1	100.8750	0.000	1	100.8750	0.000	1	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:4:4:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[5a]-3:C[5]-4:C-4:	C[5]-4:C[5]-3:N-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]HN)(CH3)	C[5](C[5]C[5,6a]C[5a]C)(C[5]C[5,6a]O)(NHS)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]HN)(CH3){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5a]C)(C[5]C[5,6a]O)(NHS)(H){4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	101.3025	0.196	2	101.3025	0.038	2	101.3025	0.038	2	101.7200	0.542	3	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:4:4:	4:3:3:1:	3:4:3:	C[5,6a]-3:N[5a]-3:C[5]-4:C-4:	C[5]-4:N[5a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5a]N[5]H)(CH3)	C[5](C[5]C[5,6a]N[5a]C)(N[5a]C[5a]N[5a])(N[5]C[5,6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5a]N[5]H)(CH3){2|H<1>,2|N<2>,5|C<3>}	C[5](C[5]C[5,6a]N[5a]C)(N[5a]C[5a]N[5a])(N[5]C[5,6a]C)(H){1|H<1>,2|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]C)(C[6a]C[6a]H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	102.5550	0.000	1	102.5550	0.000	1	102.5550	0.000	1	101.7200	0.542	3	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:4:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CF3)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C[6a]H)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CF3){1|C<4>,3|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C[6a]H)(H)2{6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]C){1|C<4>,4|C<3>,4|H<1>}	102.5270	0.000	1	101.6865	1.413	2	101.1202	0.228	29	101.1202	0.228	29	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:4:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CF3)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C[6a]H)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CF3){1|C<4>,3|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C[6a]H)(H)2{6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]C){4|C<3>,5|H<1>}	100.8460	0.000	1	101.6865	1.413	2	101.1202	0.228	29	101.1202	0.228	29	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:4:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CF3)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C[6a]H)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	101.0220	0.065	2	101.0729	0.128	21	101.1202	0.228	29	101.1202	0.228	29	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:4:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CF3)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C[6a]H)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|O<2>,4|C<3>,4|H<1>}	100.9303	0.195	4	101.0729	0.128	21	101.1202	0.228	29	101.1202	0.228	29	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:4:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CF3)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C[6a]H)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	100.8420	0.000	1	101.0729	0.128	21	101.1202	0.228	29	101.1202	0.228	29	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:4:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CF3)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C[6a]H)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){4|C<3>,5|H<1>}	101.1374	0.415	14	101.0729	0.128	21	101.1202	0.228	29	101.1202	0.228	29	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:4:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CH3)	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C[6a]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){4|H<1>,5|C<3>}	101.4390	0.000	1	101.4390	0.000	1	101.1202	0.228	29	101.1202	0.228	29	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:4:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CH3)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]CC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]Br)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CH3){2|Br<1>,1|H<1>,2|C<4>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]CC)(H)2{4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]Br){2|Br<1>,2|C<4>,2|H<1>,3|C<3>}	102.0840	0.000	1	102.0840	0.000	1	101.1202	0.228	29	101.1202	0.228	29	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:3:4:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CH3)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]CC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	100.7645	0.249	4	100.7645	0.062	4	101.1202	0.228	29	101.1202	0.228	29	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:F-1:F-1:	C[5]-3:C[5]-4:F-1:F-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]FF)(F)2	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]FF)(F)2	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5a,6a]C[5])(C[5]C[5]FF)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]FF)(F)2{4|C<3>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]FF)(F)2{1|C<4>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5a,6a]C[5])(C[5]C[5]FF){1|H<1>,2|F<1>,5|C<3>}	104.8540	0.000	1	104.8540	0.000	1	104.8540	0.000	1	104.8869	0.549	582	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<3>}	C[5](C[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]HH)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<2>,2|C<3>,3|H<1>}	104.9090	0.000	1	104.9090	0.000	1	104.9090	0.000	1	104.8869	0.549	582	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a,6a]C[4,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2{1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[4,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	105.4160	0.585	12	105.4160	0.342	12	105.0348	0.283	513	104.8869	0.549	582	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2{1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	105.1770	0.475	55	105.1770	0.225	55	105.0348	0.283	513	104.8869	0.549	582	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a,6a]C[6,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2{1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	105.2115	0.665	17	105.2115	0.442	17	105.0348	0.283	513	104.8869	0.549	582	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6,6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2{1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6,6a]H)(C[5]C[5]HH){2|H<1>,4|C<3>}	105.2745	0.520	2	105.2745	0.270	2	105.0348	0.283	513	104.8869	0.549	582	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2{1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(C[5]C[5]HH){2|H<1>,4|C<3>}	105.0510	0.319	13	105.0510	0.102	13	105.0348	0.283	513	104.8869	0.549	582	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]C)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2{4|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]C)(C[5]C[5]HH){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	106.0610	0.000	1	106.0610	0.000	1	105.0348	0.283	513	104.8869	0.549	582	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2{1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|H<1>,3|C<3>}	105.2570	0.285	4	104.9933	0.280	413	105.0348	0.283	513	104.8869	0.549	582	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2{1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){2|H<1>,4|C<3>}	104.5705	0.272	4	104.9933	0.280	413	105.0348	0.283	513	104.8869	0.549	582	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2{1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	104.9957	0.531	404	104.9933	0.280	413	105.0348	0.283	513	104.8869	0.549	582	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2{1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2{4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<3>,2|C<3>,3|H<1>}	104.6740	0.000	1	104.9933	0.280	413	105.0348	0.283	513	104.8869	0.549	582	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(H)2{1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,4|H<1>}	104.3131	0.475	8	104.3214	0.198	9	104.2589	0.149	13	104.8869	0.549	582	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(H)2{2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,4|H<1>}	104.3880	0.000	1	104.3214	0.198	9	104.2589	0.149	13	104.8869	0.549	582	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|Cl<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(H)2{4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]C[5]HH){2|C<3>,4|H<1>}	103.9400	0.000	1	103.9400	0.000	1	104.2589	0.149	13	104.8869	0.549	582	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(H)2{4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Cl<1>,2|C<3>,3|H<1>}	104.2940	0.000	1	104.1777	0.023	3	104.2589	0.149	13	104.8869	0.549	582	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(H)2{4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,4|H<1>}	104.1195	0.161	2	104.1777	0.023	3	104.2589	0.149	13	104.8869	0.549	582	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5,5a,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,5a,6a]C[6a])(C[5]N[5,5a]HH)(H)2	C[5](N[5,5a]C[5,5a,6a]C[5,5a])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,5a,6a]C[6a])(C[5]N[5,5a]HH)(H)2{1|H<1>,3|C<3>}	C[5](N[5,5a]C[5,5a,6a]C[5,5a])(C[5]C[5,6a]HH)(H)2{1|C<4>,3|C<3>}	C[5,6a](C[5,5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	104.9010	0.000	2	104.9010	0.000	2	104.8095	0.011	4	104.8869	0.549	582	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	N[5,5a]-3:C[5]-4:H-1:H-1:	C[5,5a,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,5a,6a]C[6a])(C[5]N[5,5a]HH)(H)2	C[5](N[5,5a]C[5,5a,6a]C[5a,6])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,5a,6a]C[6a])(C[5]N[5,5a]HH)(H)2{1|H<1>,3|C<3>}	C[5](N[5,5a]C[5,5a,6a]C[5a,6])(C[5]C[5,6a]HH)(H)2{1|C<4>,3|C<3>}	C[5,6a](C[5,5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	104.7180	0.000	2	104.7180	0.000	2	104.8095	0.011	4	104.8869	0.549	582	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6,6a]C[5a,6])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]N[5,6]HH)(H)2{1|H<1>,3|C<3>}	C[5](N[5,6]C[5,6,6a]C[5a,6])(C[5]C[5,6a]HH)(H)2{1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	104.7280	0.000	1	104.7280	0.000	1	103.8544	0.959	7	104.8869	0.549	582	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6,6a]C[6,6a])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]N[5,6]HH)(H)2{1|H<1>,3|C<3>}	C[5](N[5,6]C[5,6,6a]C[6,6a])(C[5]C[5,6a]HH)(H)2{1|N<3>,3|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	104.4300	0.000	1	104.4300	0.000	1	103.8544	0.959	7	104.8869	0.549	582	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]N[5,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,2|C<4>,3|H<1>}	101.7870	0.000	1	103.5646	1.059	5	103.8544	0.959	7	104.8869	0.549	582	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]N[5,6]HH)(H)2{1|H<1>,3|C<3>}	C[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	103.6760	0.000	1	103.5646	1.059	5	103.8544	0.959	7	104.8869	0.549	582	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]N[5,6]HH)(H)2{1|H<1>,3|C<3>}	C[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]HH)(H)2{4|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	104.1200	0.264	3	103.5646	1.059	5	103.8544	0.959	7	104.8869	0.549	582	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]N[5,6a]HH)(H)2	C[5](N[5,6a]C[5,6a,6a]C[5a,6a])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]N[5,6a]HH)(H)2{1|H<1>,3|C<3>}	C[5](N[5,6a]C[5,6a,6a]C[5a,6a])(C[5]C[5,6a]HH)(H)2{4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	104.2720	0.000	1	104.2720	0.000	1	104.3161	0.150	12	104.8869	0.549	582	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]N[5,6a]HH)(H)2	C[5](N[5,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a,6a]C[3x6a]N[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]N[5,6a]HH)(H)2{1|H<1>,3|C<3>}	C[5](N[5,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]HH)(H)2{4|C<3>}	C[5,6a](C[5,6a,6a]C[3x6a]N[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	104.0640	0.000	1	104.0640	0.000	1	104.3161	0.150	12	104.8869	0.549	582	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	N[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]N[5,6a]HH)(H)2	C[5](N[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]N[5,6a]HH)(H)2{1|H<1>,3|C<3>}	C[5](N[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(H)2{1|O<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	104.3457	0.418	10	104.3457	0.175	10	104.3161	0.150	12	104.8869	0.549	582	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5](N[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](N[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(H)2{1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	101.1800	0.000	1	101.1800	0.000	1	103.1317	1.521	30	104.8869	0.549	582	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5](N[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,1|N<2>,2|C<3>}	C[5](N[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(H)2{1|C<4>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,3|H<1>}	103.4677	0.914	4	103.4677	0.836	4	103.1317	1.521	30	104.8869	0.549	582	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5](N[5]C[5,6a]C[5a])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,3|C<3>}	C[5](N[5]C[5,6a]C[5a])(C[5]C[5,6a]HH)(H)2{1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	104.3000	0.000	1	103.9585	0.233	2	103.1317	1.521	30	104.8869	0.549	582	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5](N[5]C[5,6a]C[5a])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,3|C<3>}	C[5](N[5]C[5,6a]C[5a])(C[5]C[5,6a]HH)(H)2{1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,4|H<1>}	103.6170	0.000	1	103.9585	0.233	2	103.1317	1.521	30	104.8869	0.549	582	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5](N[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,3|C<3>}	C[5](N[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(H)2{1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Ir<8>,2|C<3>,3|H<1>}	104.8540	0.000	1	104.4275	0.343	4	103.1317	1.521	30	104.8869	0.549	582	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5](N[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,3|C<3>}	C[5](N[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(H)2{1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Rh<8>,2|C<3>,3|H<1>}	104.6260	0.000	1	104.4275	0.343	4	103.1317	1.521	30	104.8869	0.549	582	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5](N[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,3|C<3>}	C[5](N[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(H)2{1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Rh<8>,2|C<3>,3|H<1>}	104.1150	0.783	2	104.4275	0.343	4	103.1317	1.521	30	104.8869	0.549	582	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,3|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2{2|C<3>,2|N<2>}	C[5,6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	103.9760	0.000	1	103.9760	0.000	1	103.1317	1.521	30	104.8869	0.549	582	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,3|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2{1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	103.2855	0.086	2	102.7387	1.442	18	103.1317	1.521	30	104.8869	0.549	582	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,3|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2{1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,4|H<1>}	102.7535	0.310	2	102.7387	1.442	18	103.1317	1.521	30	104.8869	0.549	582	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,3|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2{1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	102.1390	0.000	1	102.7387	1.442	18	103.1317	1.521	30	104.8869	0.549	582	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,3|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2{2|C<3>,2|N<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	102.8000	0.000	1	102.7387	1.442	18	103.1317	1.521	30	104.8869	0.549	582	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,3|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2{2|C<3>,2|N<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<2>,2|C<3>,3|H<1>}	103.2760	0.000	1	102.7387	1.442	18	103.1317	1.521	30	104.8869	0.549	582	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,3|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2{2|C<3>,2|N<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|S<2>,2|C<3>,3|H<1>}	103.0820	0.000	1	102.7387	1.442	18	103.1317	1.521	30	104.8869	0.549	582	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,3|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2{2|C<3>,2|N<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|S<4>,2|C<3>,3|H<1>}	103.0505	0.131	2	102.7387	1.442	18	103.1317	1.521	30	104.8869	0.549	582	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,3|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2{4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	102.9850	1.141	2	102.7387	1.442	18	103.1317	1.521	30	104.8869	0.549	582	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,3|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2{4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,4|H<1>}	102.3084	2.014	6	102.7387	1.442	18	103.1317	1.521	30	104.8869	0.549	582	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]N[6a]N[5])(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|N<2>,3|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2{1|N<2>,3|C<3>}	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]N[6a]N[5])(C[5]C[5]HH){2|H<1>,5|C<3>}	104.2150	0.000	1	104.2150	0.000	1	104.2150	0.000	1	104.8869	0.549	582	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	3:4:2:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HO)(H)2	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(OH)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HO)(H)2{1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(OH)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<2>,2|H<1>,3|C<3>}	105.4870	0.000	1	105.4870	0.000	1	105.4870	0.000	1	104.1840	3.396	2	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	3:4:2:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(OC)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2{1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(OC)(H){4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<2>,2|H<1>,3|C<3>}	102.8810	0.000	1	102.8810	0.000	1	102.8810	0.000	1	104.1840	3.396	2	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	3:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	B[5]-3:C[5]-4:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]CH)(H)2	C[5](B[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CC[5]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]CH)(H)2{1|H<1>,3|C<3>}	C[5](B[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CC[5]H)(H){4|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,2|C<4>,3|C<3>}	106.9180	0.000	1	106.9180	0.000	1	106.9180	0.000	1	104.3805	3.436	13	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	3:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,5a]-3:C[5]-4:C[6a]-3:H-1:	C[5,5a,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,5a,6a]C[6a])(C[5]C[5,5a]C[6a]H)(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)	C[5,6a](C[5,5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]C)(C[5]C[5]HH)	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[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[5,6a](C[5,5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]C)(C[5]C[5]HH){1|N<3>,2|H<1>,3|C<3>}	106.3310	0.000	1	106.3310	0.000	1	106.3310	0.000	1	104.3805	3.436	13	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	3:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(H)2	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(H)2{1|H<1>,1|O<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H){1|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<1>,2|C<3>,3|H<1>}	104.2210	0.000	1	104.2210	0.000	1	104.2210	0.000	1	104.3805	3.436	13	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	3:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)2	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|H<1>,4|C<3>}	102.7820	0.188	2	102.7820	0.035	2	102.7820	0.035	2	104.3805	3.436	13	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	3:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]H)(H)2	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]H)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	101.7635	0.011	2	102.8470	3.522	3	102.8470	3.522	3	104.3805	3.436	13	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	3:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]H)(H)2	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]H)(H)2{1|H<1>,5|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	105.0140	0.000	1	102.8470	3.522	3	102.8470	3.522	3	104.3805	3.436	13	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	3:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	N[5,5a]-3:C[5]-4:C-3:H-1:	C[5,5a,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,5a,6a]C[6a])(C[5]N[5,5a]CH)(H)2	C[5](N[5,5a]C[5,5a,6a]C[5a,6])(C[5]C[5,6a]HH)(CCC)(H)	C[5,6a](C[5,5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,5a,6a]C[6a])(C[5]N[5,5a]CH)(H)2{1|H<1>,3|C<3>}	C[5](N[5,5a]C[5,5a,6a]C[5a,6])(C[5]C[5,6a]HH)(CCC)(H){1|C<4>,3|C<3>}	C[5,6a](C[5,5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(C[5]C[5]HH){2|H<1>,4|C<3>}	105.7235	0.544	4	105.7235	0.296	4	105.7235	0.296	4	104.3805	3.436	13	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	3:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CCC)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2{1|H<1>,3|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CCC)(H){4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	102.4780	0.000	1	102.4780	0.000	1	102.4780	0.000	1	104.3805	3.436	13	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	3:4:3:3:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-3:C-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CC)(H)2	C[5](C[5,6a]C[5,6a,6a]C[5,6a])(C[5]C[5,6a]HH)(COO)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CC)(H)2{1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[5,6a])(C[5]C[5,6a]HH)(COO)2{1|C<4>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,5|C<3>}	104.3220	0.000	1	104.3220	0.000	1	104.3220	0.000	1	104.3490	0.001	2	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	3:4:3:3:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	N[5a]-3:C[5]-4:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]C[5]C)(H)2	C[5](N[5a]C[5a]N[5a])(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]C[5]C)(H)2{1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[5](N[5a]C[5a]N[5a])(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(COO){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	104.3760	0.000	1	104.3760	0.000	1	104.3760	0.000	1	104.3490	0.001	2	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	3:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(H)2	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H){1|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|H<1>,3|C<3>}	104.9130	0.758	2	104.9130	0.575	2	104.9130	0.575	2	103.2566	0.724	34	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	3:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CC3)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CC3)(H){1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|H<1>,3|C<3>}	103.8015	0.986	4	103.6654	0.822	5	103.0760	0.502	22	103.2566	0.724	34	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	3:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CC3)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CC3)(H){4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|H<1>,3|C<3>}	103.1210	0.000	1	103.6654	0.822	5	103.0760	0.502	22	103.2566	0.724	34	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	3:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)(H){1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|H<1>,3|C<3>}	102.8472	0.608	6	102.8472	0.370	6	103.0760	0.502	22	103.2566	0.724	34	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	3:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|C<4>,3|C<3>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)(H){1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){2|C<3>,2|C<4>,2|H<1>}	102.6601	0.154	8	102.6601	0.024	8	103.0760	0.502	22	103.2566	0.724	34	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	3:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)(H){4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	102.9450	0.000	1	102.9450	0.000	1	103.0760	0.502	22	103.2566	0.724	34	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	3:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(CH3)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(CH3)(H){4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|H<1>,3|C<3>}	104.0185	0.118	2	104.0185	0.014	2	103.0760	0.502	22	103.2566	0.724	34	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	3:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	N[5,6a]-3:C[5]-4:C-4:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]N[5,6a]CH)(H)2	C[5](N[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(CH3)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]N[5,6a]CH)(H)2{1|H<1>,3|C<3>}	C[5](N[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(CH3)(H){4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,2|C<4>,3|C<3>}	104.4320	0.000	1	104.4320	0.000	1	104.4320	0.000	1	103.2566	0.724	34	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	3:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CH3)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2{1|H<1>,3|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CH3)(H){1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	103.5610	0.095	2	103.7360	0.085	4	103.7360	0.085	4	103.2566	0.724	34	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	3:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CH3)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2{1|H<1>,3|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CH3)(H){2|C<3>,2|N<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,2|C<4>,2|H<1>}	103.9110	0.351	2	103.7360	0.085	4	103.7360	0.085	4	103.2566	0.724	34	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	3:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	N[5a]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]C[5]H)(H)2	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,6a]HH)2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]C[5]H)(H)2{3|H<1>,4|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,6a]HH)2(H){1|H<1>,2|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<3>,5|H<1>}	102.8175	0.962	4	102.8175	0.926	4	102.7702	0.706	5	103.2566	0.724	34	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	3:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	N[5a]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]C[5]H)(H)2	C[5](N[5a]C[5a]N[5a])(C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]C[5]H)(H)2{1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[5](N[5a]C[5a]N[5a])(C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|C<3>,1|N<3>,1|O<2>,3|H<1>}	102.5810	0.000	1	102.5810	0.000	1	102.7702	0.706	5	103.2566	0.724	34	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	3:4:4:4:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CC)(H)2	C[5](C[5,6a]C[5,6a,6a]C[5,6a])(C[5]C[5,6a]HH)(CH3)2	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CC)(H)2{1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[5,6a])(C[5]C[5,6a]HH)(CH3)2{1|C<4>,3|C<3>}	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,2|C<4>,3|C<3>}	106.4110	0.000	1	106.4110	0.000	1	106.4110	0.000	1	104.3074	0.797	25	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	3:4:4:4:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)2{1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	103.8783	0.251	6	104.1882	0.764	19	104.2197	0.631	24	104.3074	0.797	25	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	3:4:4:4:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)2{1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	106.0107	0.763	3	104.1882	0.764	19	104.2197	0.631	24	104.3074	0.797	25	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	3:4:4:4:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)2{1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,2|C<3>,3|C<4>}	103.8250	0.301	4	104.1882	0.764	19	104.2197	0.631	24	104.3074	0.797	25	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	3:4:4:4:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)2{1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,2|C<4>,2|H<1>}	103.8288	0.174	6	104.1882	0.764	19	104.2197	0.631	24	104.3074	0.797	25	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	3:4:4:4:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|O<2>,3|C<3>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)2{1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	104.5930	0.365	2	104.3398	0.168	5	104.2197	0.631	24	104.3074	0.797	25	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	3:4:4:4:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|O<2>,3|C<3>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)2{1|S<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	104.1710	0.404	3	104.3398	0.168	5	104.2197	0.631	24	104.3074	0.797	25	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:2:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]2)(C[5]O[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]O[5])(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]2)(C[5]O[5]HH)(H)2{1|C<4>,2|C<3>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2{2|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]O[5])(C[5]C[5]HH){1|C<3>,3|C<4>,4|H<1>}	103.0640	0.000	1	103.0640	0.000	1	103.0640	0.000	1	102.5375	3.995	42	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:2:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]C[3])(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2{1|C<4>,2|C<3>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]C[3])(C[5]C[5]HH){2|C<3>,2|C<4>,4|H<1>}	101.9525	0.156	2	101.9525	0.024	2	101.9090	0.560	31	102.5375	3.995	42	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:2:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]N[6a])(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2{1|N<2>,2|C<3>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]N[6a])(C[5]C[5]HH){2|H<1>,4|C<3>}	101.9260	0.000	1	101.9260	0.000	1	101.9090	0.560	31	102.5375	3.995	42	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:2:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6]C[6a])(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2{1|C<4>,2|C<3>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6]C[6a])(C[5]C[5]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	102.4410	0.000	1	102.4410	0.000	1	101.9090	0.560	31	102.5375	3.995	42	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:2:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]C)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2{3|C<3>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]C)(C[5]C[5]HH){1|C<3>,1|O<2>,3|H<1>}	101.3230	0.000	1	101.3230	0.000	1	101.9090	0.560	31	102.5375	3.995	42	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:2:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]HH){1|C<3>,1|O<2>,3|H<1>}	102.2360	0.000	1	102.8287	0.226	4	101.9090	0.560	31	102.5375	3.995	42	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:2:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]HH){1|C<3>,2|C<4>,2|H<1>}	103.1250	0.389	2	102.8287	0.226	4	101.9090	0.560	31	102.5375	3.995	42	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:2:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]HH){1|O<2>,2|C<3>,2|H<1>}	102.8290	0.000	1	102.8287	0.226	4	101.9090	0.560	31	102.5375	3.995	42	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:2:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,3|H<1>}	101.2993	0.518	4	101.7348	0.308	12	101.9090	0.560	31	102.5375	3.995	42	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:2:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<3>,3|H<1>}	102.1245	0.465	4	101.7348	0.308	12	101.9090	0.560	31	102.5375	3.995	42	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:2:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|S<4>,3|H<1>}	101.6150	0.000	1	101.7348	0.308	12	101.9090	0.560	31	102.5375	3.995	42	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:2:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,3|H<1>}	101.8360	0.512	3	101.7348	0.308	12	101.9090	0.560	31	102.5375	3.995	42	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:2:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2{1|O<2>,2|C<3>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(C[5]C[5]HH){2|C<3>,3|H<1>}	102.1190	0.454	2	102.1190	0.206	2	101.9090	0.560	31	102.5375	3.995	42	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:2:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]N[6a]O)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]N[6a]O)(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	101.0750	0.000	1	101.0750	0.000	1	101.9090	0.560	31	102.5375	3.995	42	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:2:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]O[6a]O)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2{1|C<3>,1|O<1>,1|O<2>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]O[6a]O)(C[5]C[5]HH){1|Br<1>,1|C<3>,2|H<1>}	101.7063	1.191	6	101.7063	1.418	6	101.9090	0.560	31	102.5375	3.995	42	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:2:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2	C[5,6a](C[5,6a]N[6a]O[5])(C[6a]C[6a]N[5a])(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2{1|C<3>,1|N<2>,1|N<3>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2{1|C<3>,1|N<2>}	C[5,6a](C[5,6a]N[6a]O[5])(C[6a]C[6a]N[5a])(C[5]C[5]HH){1|F<1>,2|H<1>,3|C<3>}	101.9000	0.000	1	101.9000	0.000	1	101.9090	0.560	31	102.5375	3.995	42	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:2:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[6a]O[5])(C[5]C[5]HH)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]HH)(H)2{1|N<2>,2|C<3>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2{1|C<3>,1|N<2>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[6a]O[5])(C[5]C[5]HH){3|C<3>,3|H<1>}	101.2070	0.000	1	101.2070	0.000	1	101.3283	0.028	3	102.5375	3.995	42	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:2:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2	C[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]N[6a]O[5])(C[5]C[5]HH)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]HH)(H)2{1|C<3>,2|N<2>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2{1|C<3>,1|N<2>}	C[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]N[6a]O[5])(C[5]C[5]HH){2|H<1>,3|C<3>}	101.2570	0.000	1	101.2570	0.000	1	101.3283	0.028	3	102.5375	3.995	42	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:2:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2	C[5,6a](C[6a,6a]C[6a,6a]O[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]HH)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]HH)(H)2{1|O<2>,2|C<3>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2{2|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]O[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]HH){2|H<1>,4|C<3>}	101.5210	0.000	1	101.5210	0.000	1	101.3283	0.028	3	102.5375	3.995	42	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:2:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]N[6a]O[5])(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(H)2{1|N<2>,2|C<3>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(H)2{1|C<3>,1|N<2>}	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]N[6a]O[5])(C[5]C[5]HH){2|H<1>,4|C<3>}	102.3435	0.207	2	102.3435	0.043	2	102.3435	0.043	2	102.5375	3.995	42	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:2:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[6a]-3:N[5,6a]-3:C[5]-4:	C[5](C[5,6a]N[5,6a]C[6a])(C[5]O[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(O[5]N[5,6a])(H)2	C[5,6a](C[6a]C[6a,6a]C[6a])(N[5,6a]C[6a]O[5])(C[5]C[5]HH)	C[5](C[5,6a]N[5,6a]C[6a])(C[5]O[5]HH)(H)2{3|C<3>}	C[5](C[5]C[5,6a]HH)(O[5]N[5,6a])(H)2{2|C<3>}	C[5,6a](C[6a]C[6a,6a]C[6a])(N[5,6a]C[6a]O[5])(C[5]C[5]HH){1|O<1>,2|H<1>,4|C<3>}	103.2310	0.000	1	103.2310	0.000	1	103.2310	0.000	1	102.5375	3.995	42	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:2:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(S[5]C[5,6a])(H)2	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(S[5]C[5,6a])(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<2>,1|C<3>,3|H<1>}	106.2250	0.000	1	106.2250	0.000	1	106.2250	0.000	1	102.5375	3.995	42	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:2:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]S[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(S[5]C[5,6a])(H)2	C[5,6a](C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]S[5])(C[5]C[5]HH)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]S[5]HH)(H)2{3|C<3>}	C[5](C[5]C[5,6a]HH)(S[5]C[5,6a])(H)2{2|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]S[5])(C[5]C[5]HH){1|N<2>,2|H<1>,4|C<3>}	108.7710	0.000	1	108.7710	0.000	1	108.4680	0.184	2	102.5375	3.995	42	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:2:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]S[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(S[5]C[5,6a])(H)2	C[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]N[6a]S[5])(C[5]C[5]HH)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]S[5]HH)(H)2{1|C<3>,2|N<2>}	C[5](C[5]C[5,6a]HH)(S[5]C[5,6a])(H)2{1|C<3>,1|N<2>}	C[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]N[6a]S[5])(C[5]C[5]HH){2|H<1>,3|C<3>}	108.1650	0.000	1	108.1650	0.000	1	108.4680	0.184	2	102.5375	3.995	42	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:2:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(S[5]C[5,6a])(H)2	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]N[6a]S[5])(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]HH)(H)2{1|N<2>,2|C<3>}	C[5](C[5]C[5,6a]HH)(S[5]C[5,6a])(H)2{1|C<3>,1|N<2>}	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]N[6a]S[5])(C[5]C[5]HH){2|H<1>,4|C<3>}	109.2700	0.000	1	109.2700	0.000	1	109.2700	0.000	1	102.5375	3.995	42	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:2:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCC)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCC)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH){1|H<1>,1|O<2>,3|C<3>}	102.6720	0.758	2	102.6720	0.575	2	102.3865	0.322	4	102.5010	5.437	10	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:2:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCC)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2{1|O<2>,2|C<3>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCC)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]O)(C[5]C[5]HH){2|C<3>,3|H<1>}	101.9210	0.000	1	101.9210	0.000	1	102.3865	0.322	4	102.5010	5.437	10	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:2:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CC[6a]C)(H)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CC[6a]C)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|H<1>,3|C<3>}	102.2810	0.000	1	102.2810	0.000	1	102.3865	0.322	4	102.5010	5.437	10	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:2:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[6,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5]O[5]CH)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCC)(H)	C[5,6a](C[6,6a]C[6,6a]O[6])(C[5,6a]C[6a]O[5])(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5]O[5]CH)(H)2{1|O<2>,2|C<3>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCC)(H){2|C<3>}	C[5,6a](C[6,6a]C[6,6a]O[6])(C[5,6a]C[6a]O[5])(C[5]C[5]HH){1|C<4>,2|H<1>,3|C<3>}	101.1103	0.699	4	101.1103	0.489	4	101.1103	0.489	4	102.5010	5.437	10	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:2:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]CH)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CC[6a]C)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]HH)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]CH)(H)2{3|C<3>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CC[6a]C)(H){2|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]HH){3|H<1>,4|C<3>}	102.3030	0.000	1	102.3030	0.000	1	102.3030	0.000	1	102.5010	5.437	10	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:2:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:S[5]-2:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CH)(H)2	C[5](C[5]C[5,6a]HH)(S[5]C[5,6a])(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CH)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(S[5]C[5,6a])(CC[6a]O)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,3|H<1>}	108.7200	0.000	1	108.7200	0.000	1	108.7200	0.000	1	102.5010	5.437	10	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:2:3:4:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(C[5]N[5]2)(CCHH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(H)2{1|H<1>,2|C<3>,2|N<3>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(C[5]N[5]2)(CCHH){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	99.7772	0.000	1	99.7772	0.000	1	99.7772	0.000	1	99.7772	0.000	1	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:2:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCCO)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCCO)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	102.9450	0.000	1	102.9450	0.000	1	102.4981	0.578	14	102.5858	0.671	16	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:2:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCCO)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2{1|O<2>,2|C<3>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCCO)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	102.6775	0.445	2	102.6775	0.198	2	102.4981	0.578	14	102.5858	0.671	16	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:2:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCCO)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]N)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2{1|N<3>,2|C<3>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCCO)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]N)(C[5]C[5]HH){1|C<3>,2|C<4>,2|H<1>}	103.0400	0.000	1	103.0400	0.000	1	102.4981	0.578	14	102.5858	0.671	16	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:2:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCHH)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCHH)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	103.2090	0.000	1	103.0110	0.078	2	102.4981	0.578	14	102.5858	0.671	16	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:2:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCHH)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCHH)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,3|H<1>}	102.8130	0.000	1	103.0110	0.078	2	102.4981	0.578	14	102.5858	0.671	16	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:2:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCHS)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCHS)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	101.9540	0.000	1	101.9540	0.000	1	102.4981	0.578	14	102.5858	0.671	16	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:2:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CH3)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]O)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2{1|O<2>,2|C<3>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CH3)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]O)(C[5]C[5]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	101.6377	0.664	4	101.6377	0.441	4	102.4981	0.578	14	102.5858	0.671	16	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:2:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CH3)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2{3|C<3>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CH3)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<3>,1|C<4>,3|H<1>}	103.3080	0.000	1	103.3080	0.000	1	102.4981	0.578	14	102.5858	0.671	16	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:2:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CH3)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CH3)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	103.4470	0.000	1	103.4470	0.000	1	102.4981	0.578	14	102.5858	0.671	16	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:2:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CHHO)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]O)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(H)2{1|O<2>,2|C<3>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CHHO)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]O)(C[5]C[5]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	102.3520	0.000	1	102.3520	0.000	1	102.4981	0.578	14	102.5858	0.671	16	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:2:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]CH)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCCO)(H)	C[5,6a](C[6a,6a]C[6a,6a]O[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]HH)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]CH)(H)2{1|O<2>,2|C<3>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCCO)(H){2|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]O[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]HH){1|C<4>,2|H<1>,3|C<3>}	102.2810	0.000	1	102.2810	0.000	1	102.2810	0.000	1	102.5858	0.671	16	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:2:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:Se[5]-2:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]CH)(H)2	C[5](C[5]C[5,6a]HH)(Se[5]C[5,6a])(CBrHH)(H)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]CH)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(Se[5]C[5,6a])(CBrHH)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	104.1180	0.000	1	104.1180	0.000	1	104.1180	0.000	1	102.5858	0.671	16	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:2:4:2:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CO)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CF3)(OH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CO)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CF3)(OH){2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	101.2170	0.000	1	101.2170	0.000	1	101.2170	0.000	1	101.2170	0.000	1	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:2:4:4:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CH3)2	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CH3)2{2|C<3>}	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	102.9215	0.375	2	102.9215	0.141	2	103.0848	0.246	16	103.0848	0.246	16	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:2:4:4:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CH3)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CH3)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	103.0798	0.570	11	103.1081	0.269	14	103.0848	0.246	16	103.0848	0.246	16	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:2:4:4:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CH3)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(H)2{1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CH3)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|H<1>,1|O<3>,2|C<4>}	103.2120	0.318	3	103.1081	0.269	14	103.0848	0.246	16	103.0848	0.246	16	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:Br-1:Br-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Br2)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(Br)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Br2)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(Br)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|Br<1>,1|C<3>,1|O<1>,2|H<1>}	103.6530	0.000	1	103.6530	0.000	1	103.6530	0.000	1	103.8534	0.808	122	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]2)(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]2)(C[5]C[5]HH)(H)2{1|O<1>,3|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|C<3>,2|C<4>,2|O<1>,3|H<1>}	104.5510	0.000	1	104.5510	0.000	1	104.5510	0.000	1	103.8534	0.808	122	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<3>,2|C<3>,3|H<1>}	104.6380	0.000	1	104.7417	0.459	3	104.4995	0.135	33	103.8534	0.808	122	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,4|H<1>}	104.7935	0.950	2	104.7417	0.459	3	104.4995	0.135	33	103.8534	0.808	122	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|N<2>,3|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<3>,1|N<2>,4|H<1>}	104.6160	0.000	1	104.6160	0.000	1	104.4995	0.135	33	103.8534	0.808	122	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|H<1>,1|N<2>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<2>,4|H<1>}	104.7232	0.085	4	104.7232	0.007	4	104.4995	0.135	33	103.8534	0.808	122	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]N)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|N<2>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]N)(C[5]C[5]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	104.1380	0.000	1	104.1380	0.000	1	104.4995	0.135	33	103.8534	0.808	122	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|O<1>,2|C<3>,2|H<1>}	104.0325	0.257	2	104.0325	0.066	2	104.4995	0.135	33	103.8534	0.808	122	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]C)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|O<1>,3|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]C)(C[5]C[5]HH){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	104.8680	0.000	1	104.8680	0.000	1	104.4995	0.135	33	103.8534	0.808	122	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|O<1>,3|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|O<1>,3|C<3>,4|H<1>}	104.7450	0.000	1	104.7450	0.000	1	104.4995	0.135	33	103.8534	0.808	122	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|Br<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]HH){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	104.1010	0.000	1	104.1010	0.000	1	104.4995	0.135	33	103.8534	0.808	122	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|F<1>,1|O<1>,3|H<1>}	104.7395	0.344	2	104.4939	0.100	16	104.4995	0.135	33	103.8534	0.808	122	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	104.6143	0.234	7	104.4939	0.100	16	104.4995	0.135	33	103.8534	0.808	122	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<1>,2|H<1>,2|O<2>}	104.1640	0.000	1	104.4939	0.100	16	104.4995	0.135	33	103.8534	0.808	122	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<1>,4|H<1>}	104.5295	0.135	4	104.4939	0.100	16	104.4995	0.135	33	103.8534	0.808	122	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<1>,2|C<3>,3|H<1>}	103.9970	0.000	1	104.4939	0.100	16	104.4995	0.135	33	103.8534	0.808	122	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<1>,2|H<1>,3|C<3>}	103.8450	0.000	1	104.4939	0.100	16	104.4995	0.135	33	103.8534	0.808	122	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|C<3>,1|O<1>,4|H<1>}	103.8080	0.000	1	103.8080	0.000	1	104.4995	0.135	33	103.8534	0.808	122	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]S)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|H<1>,1|S<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]S)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<2>,1|S<1>,3|H<1>}	104.5600	0.078	2	104.5600	0.006	2	104.4995	0.135	33	103.8534	0.808	122	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(H)2{1|O<1>,3|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2{2|C<3>}	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|C<3>,2|C<4>,2|O<1>,3|H<1>}	104.1560	0.000	1	104.4035	0.148	6	104.4035	0.148	6	103.8534	0.808	122	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(H)2{1|O<1>,3|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2{2|C<3>}	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	104.4530	0.407	5	104.4035	0.148	6	104.4035	0.148	6	103.8534	0.808	122	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(H)2	C[5,6a](C[6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|N<2>,3|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(H)2{1|C<3>,1|N<2>}	C[5,6a](C[6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[5]C[5]HH){1|C<4>,2|H<1>,4|C<3>}	105.0255	0.156	2	105.0255	0.024	2	105.0255	0.024	2	103.8534	0.808	122	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2	C[5,6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|H<1>,3|C<3>}	103.7040	0.000	1	103.7040	0.000	1	103.5058	0.824	79	103.8534	0.808	122	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{4|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){3|H<1>,5|C<3>}	102.3475	0.162	2	102.3475	0.026	2	103.5058	0.824	79	103.8534	0.808	122	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<2>,1|C<3>,1|C<4>,3|H<1>}	102.9913	0.922	3	103.3130	0.639	27	103.5058	0.824	79	103.8534	0.808	122	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,4|H<1>}	102.8347	0.249	6	103.3130	0.639	27	103.5058	0.824	79	103.8534	0.808	122	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	101.3200	0.000	1	103.3130	0.639	27	103.5058	0.824	79	103.8534	0.808	122	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,2|C<4>,3|H<1>}	103.3960	0.000	1	103.3130	0.639	27	103.5058	0.824	79	103.8534	0.808	122	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,2|C<3>,3|H<1>}	104.6580	0.000	1	103.3130	0.639	27	103.5058	0.824	79	103.8534	0.808	122	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	103.1840	0.000	1	103.3130	0.639	27	103.5058	0.824	79	103.8534	0.808	122	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<3>,2|C<3>,3|H<1>}	103.3600	0.000	1	103.3130	0.639	27	103.5058	0.824	79	103.8534	0.808	122	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<3>,2|H<1>,3|C<3>}	103.7820	0.000	1	103.3130	0.639	27	103.5058	0.824	79	103.8534	0.808	122	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|S<4>,2|C<3>,3|H<1>}	103.0340	1.229	2	103.3130	0.639	27	103.5058	0.824	79	103.8534	0.808	122	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,4|H<1>}	103.9505	0.493	8	103.3130	0.639	27	103.5058	0.824	79	103.8534	0.808	122	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|H<1>,4|C<3>}	102.8030	0.000	1	103.3130	0.639	27	103.5058	0.824	79	103.8534	0.808	122	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	103.2940	0.000	1	103.3130	0.639	27	103.5058	0.824	79	103.8534	0.808	122	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|C<4>,1|N<2>,2|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2{1|C<3>,1|N<2>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<3>,1|C<4>,2|N<2>,3|H<1>}	103.9750	0.000	1	103.9750	0.000	1	103.5058	0.824	79	103.8534	0.808	122	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,1|N<2>,2|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2{1|C<3>,1|N<2>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,3|H<1>}	103.9275	0.644	29	103.9275	0.415	29	103.5058	0.824	79	103.8534	0.808	122	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]N)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,1|N<2>,2|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]N)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<2>,4|H<1>}	104.7237	0.714	3	104.1068	1.063	6	103.5058	0.824	79	103.8534	0.808	122	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]N)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]N)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<3>,4|H<1>}	103.4900	1.004	3	104.1068	1.063	6	103.5058	0.824	79	103.8534	0.808	122	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]P)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,1|P<3>,2|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]P)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|P<3>,4|H<1>}	103.3500	0.280	2	103.3500	0.078	2	103.5058	0.824	79	103.8534	0.808	122	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(H)2	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|S<4>,3|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	102.3810	0.000	1	102.0295	0.247	2	103.5058	0.824	79	103.8534	0.808	122	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(H)2	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|S<4>,3|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|S<4>,2|H<1>,5|C<3>}	101.6780	0.000	1	102.0295	0.247	2	103.5058	0.824	79	103.8534	0.808	122	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(H)2	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|C<4>,1|S<4>,2|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|S<4>,2|H<1>,3|C<3>}	101.8430	0.000	1	101.8430	0.000	1	103.5058	0.824	79	103.8534	0.808	122	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,1|S<4>,2|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH){1|S<4>,2|C<3>,3|H<1>}	105.5120	0.000	1	105.5120	0.000	1	103.5058	0.824	79	103.8534	0.808	122	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|S<4>,3|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|S<4>,3|H<1>,4|C<3>}	102.0960	0.000	1	102.0960	0.000	1	103.5058	0.824	79	103.8534	0.808	122	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|S<4>,3|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	101.9640	0.000	1	101.9640	0.000	1	103.5058	0.824	79	103.8534	0.808	122	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,1|S<4>,2|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	102.7670	0.700	3	102.8848	0.409	5	103.5058	0.824	79	103.8534	0.808	122	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,1|S<4>,2|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|S<4>,4|H<1>}	103.5870	0.000	1	102.8848	0.409	5	103.5058	0.824	79	103.8534	0.808	122	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|H<1>,1|S<4>,2|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|S<4>,2|C<3>,3|H<1>}	102.5360	0.000	1	102.8848	0.409	5	103.5058	0.824	79	103.8534	0.808	122	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:1:1:	3:4:2:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HH)(N[6a]C[6a])	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)2{1|C<3>,1|N<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HH)(N[6a]C[6a]){1|C<3>,1|O<1>,4|H<1>}	104.2980	0.000	1	104.2980	0.000	1	104.2980	0.000	1	104.2980	0.000	1	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:Br-1:H-1:	C[5]-4:C[5]-3:Cl-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]ClH)(Br)(H)	C[5](C[5]C[5,6a]BrH)(C[5]C[5,6a]O)(Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]BrH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]ClH)(Br)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]BrH)(C[5]C[5,6a]O)(Cl)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]BrH)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|O<1>,3|H<1>}	103.0420	0.000	1	103.0420	0.000	1	103.0420	0.000	1	103.0420	0.000	1	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:2:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(H)2	C[5](C[5]C[5,6a]HH)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	C[5,6a](C[5,6a]N[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)	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[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[5,6a](C[5,6a]N[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH){2|H<1>,4|C<3>}	102.1360	0.000	1	102.1360	0.000	1	102.1360	0.000	1	102.5110	0.281	2	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:2:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]O[5]H)(H)2	C[5](C[5]C[5,6a]HH)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]HH)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]O[5]H)(H)2{5|C<3>}	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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]HH){3|H<1>,4|C<3>}	102.8860	0.000	1	102.8860	0.000	1	102.8860	0.000	1	102.5110	0.281	2	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:2:2:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:S-2:S-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SS)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(SC[6a])(SC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SS)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(SC[6a])(SC){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|S<2>}	103.6050	0.058	2	103.6050	0.003	2	103.8310	0.155	3	103.8310	0.155	3	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:2:2:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:S-2:S-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SS)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(SC[6a])2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SS)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(SC[6a])2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|S<2>}	104.2830	0.000	1	104.2830	0.000	1	103.8310	0.155	3	103.8310	0.155	3	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:2:3:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:O-2:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(ON[6])(CNO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(ON[6])(CNO){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Cl<1>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	104.6400	0.000	1	104.6400	0.000	1	104.6400	0.000	1	104.9750	0.224	2	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:2:3:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:S-2:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CS)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(SC[6a])(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CS)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(SC[6a])(COO){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	105.3100	0.000	1	105.3100	0.000	1	105.3100	0.000	1	104.9750	0.224	2	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:2:4:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:O[5]-2:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]C)(H)2	C[5](C[5]C[5,6a]HH)(C[6a]C[6a]2)(O[5]C[5,6a])(CH3)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[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[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<2>,1|C<4>,1|O<2>,2|C<3>}	101.7600	0.000	1	101.7600	0.000	1	101.7600	0.000	1	102.4530	0.960	2	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:2:4:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:O[5]-2:C-4:	C[5a,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[6a]O[5]C)(H)2	C[5](C[5]C[5,6a]HH)(C[6a]C[6a]2)(O[5]C[5,6a])(CH3)	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[6a]O[5])(C[5]C[5]HH)	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[6a]O[5]C)(H)2{5|C<3>}	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[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[6a]O[5])(C[5]C[5]HH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	103.1460	0.000	1	103.1460	0.000	1	103.1460	0.000	1	102.4530	0.960	2	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]F)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)(F)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)(F){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|F<1>,1|O<1>,2|C<3>,2|H<1>}	104.6490	0.000	1	104.6490	0.000	1	104.6490	0.000	1	103.8193	1.955	10	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CC[5a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2{1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CC[5a]O)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	103.9080	0.000	1	103.9080	0.000	1	104.1930	0.072	3	103.8193	1.955	10	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(CCC)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2{1|H<1>,1|S<4>,2|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(CCC)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|S<4>,2|C<3>,2|H<1>}	104.4390	0.000	1	104.3355	0.021	2	104.1930	0.072	3	103.8193	1.955	10	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(CCC)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2{1|H<1>,1|S<4>,2|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(CCC)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|S<4>,2|H<1>,3|C<3>}	104.2320	0.000	1	104.3355	0.021	2	104.1930	0.072	3	103.8193	1.955	10	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(C[5]C[5]2)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(H)2{1|H<1>,1|S<4>,4|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(C[5]C[5]2)(H){1|N<2>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|S<4>,2|C<3>,3|H<1>}	104.5380	0.000	1	104.5380	0.000	1	104.5380	0.000	1	103.8193	1.955	10	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	104.0620	0.000	1	104.0687	0.709	4	103.2854	3.600	5	103.8193	1.955	10	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	102.9010	0.000	1	104.0687	0.709	4	103.2854	3.600	5	103.8193	1.955	10	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	104.6560	0.273	2	104.0687	0.709	4	103.2854	3.600	5	103.8193	1.955	10	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[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[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|S<4>,2|H<1>,3|C<3>}	100.1520	0.000	1	100.1520	0.000	1	103.2854	3.600	5	103.8193	1.955	10	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:3:2:	3:3:4:	C[5,6a]-3:C[5]-4:F-1:F-1:	C[5]-4:N[5]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]O)(F)2	C[5](C[5]C[5,6a]FF)(N[5]C[5,6a]C)(C[6a]C[6a]2)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]FF)	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[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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]FF){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	105.2780	0.000	1	105.2780	0.000	1	105.2780	0.000	1	104.5211	0.121	7	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:3:2:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:C-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(COO)(CN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(COO)(CN){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<2>,1|O<1>,2|C<3>,2|H<1>}	104.5730	0.000	1	104.5730	0.000	1	104.5730	0.000	1	104.5211	0.121	7	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:3:2:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(COO)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(H)2{1|H<1>,1|N<2>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(COO)(OH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Cl<1>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	104.3240	0.000	1	104.3240	0.000	1	104.3895	0.009	2	104.5211	0.121	7	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:3:2:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CNO)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(H)2{1|Br<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CNO)(OH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]HH){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	104.4550	0.000	1	104.4550	0.000	1	104.3895	0.009	2	104.5211	0.121	7	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:3:2:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:S-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CS)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(COO)(SS)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CS)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(COO)(SS){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|H<1>,1|O<1>,1|S<2>,2|C<3>}	104.3393	0.069	3	104.3393	0.005	3	104.3393	0.005	3	104.5211	0.121	7	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:3:3:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(COO)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(COO)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|H<1>,4|C<3>}	102.5350	0.000	1	102.5350	0.000	1	104.6857	2.189	4	104.8316	1.748	5	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:3:3:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCC)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCC)(COO){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|H<1>,1|O<1>,3|C<3>}	105.4995	0.585	2	105.4027	0.199	3	104.6857	2.189	4	104.8316	1.748	5	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:3:3:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCC)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCC)(COO){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Cl<1>,1|H<1>,1|O<1>,3|C<3>}	105.2090	0.000	1	105.4027	0.199	3	104.6857	2.189	4	104.8316	1.748	5	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:3:3:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)(CNO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)(CNO){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<1>,2|H<1>,3|C<3>}	105.4150	0.000	1	105.4150	0.000	1	105.4150	0.000	1	104.8316	1.748	5	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(CNiHH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(CNiHH)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	104.0850	0.410	2	104.0850	0.168	2	104.6936	0.317	16	103.9380	0.873	48	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCHH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCHH)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	104.5885	0.023	2	104.6158	0.002	4	104.6936	0.317	16	103.9380	0.873	48	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCHH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCHH)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	104.6430	0.059	2	104.6158	0.002	4	104.6936	0.317	16	103.9380	0.873	48	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCHN)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCHN)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	104.3840	0.000	1	104.3840	0.000	1	104.6936	0.317	16	103.9380	0.873	48	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[5]CH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[5]CH)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	105.3855	0.309	2	105.3855	0.095	2	104.6936	0.317	16	103.9380	0.873	48	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6]HH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6]HH)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	104.9562	0.454	5	104.9562	0.206	5	104.6936	0.317	16	103.9380	0.873	48	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]CN)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]CN)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	105.0130	0.000	1	105.0130	0.000	1	104.6936	0.317	16	103.9380	0.873	48	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CH3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|O<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CH3)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	103.5150	0.000	1	103.5150	0.000	1	104.6936	0.317	16	103.9380	0.873	48	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5,6a]-3:N[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CH3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]B[6a]C)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]CH)(H)2{1|B<3>,1|C<3>,1|C<4>,1|O<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CH3)(H){1|C<3>,1|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]B[6a]C)(C[5]C[5]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	104.1440	0.000	1	104.1440	0.000	1	104.1440	0.000	1	103.9380	0.873	48	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CCCO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CCCO)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,2|C<4>,3|H<1>}	104.3430	0.000	1	104.3430	0.000	1	103.5309	0.793	29	103.9380	0.873	48	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CCHH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2{1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CCHH)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,2|C<4>,2|H<1>}	104.3834	0.235	10	104.3834	0.055	10	103.5309	0.793	29	103.9380	0.873	48	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CH3)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CH3)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,2|C<4>,3|H<1>}	102.5170	0.052	2	103.1908	0.661	4	103.5309	0.793	29	103.9380	0.873	48	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CH3)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2{1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CH3)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	103.8645	0.404	2	103.1908	0.661	4	103.5309	0.793	29	103.9380	0.873	48	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CHHO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2{1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CHHO)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	102.7135	0.234	2	102.7135	0.055	2	103.5309	0.793	29	103.9380	0.873	48	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]N)(CH3)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]N)(CH3)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	103.2776	0.744	5	103.2776	0.554	5	103.5309	0.793	29	103.9380	0.873	48	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(CCHH)(H)	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2{1|H<1>,1|S<4>,2|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(CCHH)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	101.9960	0.679	2	101.9960	0.461	2	103.5309	0.793	29	103.9380	0.873	48	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(CCHH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2{1|H<1>,1|S<4>,2|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(CCHH)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	103.7025	0.040	2	103.7025	0.002	2	103.5309	0.793	29	103.9380	0.873	48	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(CHHN)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(H)2{1|H<1>,1|S<4>,2|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(CHHN)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<2>,1|S<4>,2|H<1>}	102.7483	0.406	3	102.7483	0.165	3	103.5309	0.793	29	103.9380	0.873	48	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C[3]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3]N[5]H)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(C[3]C[3]2H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3]N[5]H)(H)2{1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(C[3]C[3]2H)(H){2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	103.6390	0.000	1	103.6925	0.006	2	103.6925	0.006	2	103.9380	0.873	48	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C[3]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3]N[5]H)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(C[3]C[3]2H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3]N[5]H)(H)2{1|S<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(C[3]C[3]2H)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	103.7460	0.000	1	103.6925	0.006	2	103.6925	0.006	2	103.9380	0.873	48	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:4:2:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCHH)(CN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCHH)(CN){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<2>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	105.1630	0.000	1	105.1630	0.000	1	105.1630	0.000	1	104.7463	0.164	8	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:4:2:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:N-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CN)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH)(NN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CN)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH)(NN){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	105.4680	0.000	1	105.4680	0.000	1	104.8195	0.841	2	104.7463	0.164	8	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:4:2:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:N-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CN)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[5a]CH)(NN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CN)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[5a]CH)(NN){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	104.1710	0.000	1	104.1710	0.000	1	104.8195	0.841	2	104.7463	0.164	8	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:4:2:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]CH)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]CH)(OH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	104.6950	0.163	2	104.6950	0.026	2	104.6950	0.026	2	104.7463	0.164	8	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:4:2:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:Se-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SeC)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]CH)(SeC[6a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SeC)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]CH)(SeC[6a]){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Se<2>,1|C<3>,1|C<4>,1|O<1>,2|H<1>}	104.5927	0.099	3	104.5927	0.010	3	104.5927	0.010	3	104.7463	0.164	8	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:4:3:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH)(COO){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	105.2470	0.000	1	105.2470	0.000	1	105.0640	0.926	6	104.8193	1.551	10	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:4:3:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCFF)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCFF)(COO){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	104.4750	0.696	2	104.4750	0.484	2	105.0640	0.926	6	104.8193	1.551	10	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:4:3:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCHH)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCHH)(COO){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	106.6940	0.000	1	106.6940	0.000	1	105.0640	0.926	6	104.8193	1.551	10	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:4:3:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]CH)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]CH)(COO){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	105.2750	0.000	1	105.2750	0.000	1	105.0640	0.926	6	104.8193	1.551	10	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:4:3:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CF3)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CF3)(COO){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	104.2180	0.000	1	104.2180	0.000	1	105.0640	0.926	6	104.8193	1.551	10	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:4:3:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[5]C[5]2C)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)(H)2{1|O<1>,2|C<4>,4|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[5]C[5]2C)(COO){1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	105.3260	0.228	2	105.3260	0.052	2	105.2877	0.030	3	104.8193	1.551	10	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:4:3:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[5]C[5]2C)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)(H)2{1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[5]C[5]2C)(COO){1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	105.2110	0.000	1	105.2110	0.000	1	105.2877	0.030	3	104.8193	1.551	10	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:4:3:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]H)(CC[6a]HH)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]H)(CC[6a]HH)(COO){2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	101.9460	0.000	1	101.9460	0.000	1	101.9460	0.000	1	104.8193	1.551	10	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:4:4:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(CNiHH)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(CNiHH)(CH3){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	103.4740	0.000	1	103.4740	0.000	1	105.2734	0.847	7	103.5669	1.053	54	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:4:4:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CH3)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CH3)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|F<1>,1|H<1>,1|O<1>,2|C<4>}	105.4530	0.000	1	105.5886	0.324	5	105.2734	0.847	7	103.5669	1.053	54	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:4:4:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CH3)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CH3)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|H<1>,1|N<2>,1|O<1>,2|C<4>}	106.5480	0.000	1	105.5886	0.324	5	105.2734	0.847	7	103.5669	1.053	54	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:4:4:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CH3)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CH3)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	105.0210	0.000	1	105.5886	0.324	5	105.2734	0.847	7	103.5669	1.053	54	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:4:4:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CH3)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CH3)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	105.4605	0.025	2	105.5886	0.324	5	105.2734	0.847	7	103.5669	1.053	54	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:4:4:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]S)(CH3)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|C<4>,1|S<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]S)(CH3)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<3>,1|H<1>,1|O<2>,1|S<1>,2|C<4>}	105.4970	0.000	1	105.4970	0.000	1	105.2734	0.847	7	103.5669	1.053	54	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:4:4:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CH3)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N[6])(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(H)2{1|N<3>,3|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CH3)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N[6])(C[5]C[5]HH){2|C<3>,2|H<1>,4|C<4>}	104.7305	0.030	2	104.7305	0.001	2	104.7305	0.001	2	103.5669	1.053	54	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:4:4:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a]Ba)(CH3)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(H)2{1|Ba<10>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a]Ba)(CH3)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Ba<10>,1|C<3>,1|H<1>,1|O<3>,2|C<4>}	102.3655	0.574	10	103.1489	0.525	36	103.2497	0.525	45	103.5669	1.053	54	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:4:4:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a]Ba)(CH3)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(H)2{1|Ba<8>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a]Ba)(CH3)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Ba<8>,1|C<3>,1|H<1>,1|O<3>,2|C<4>}	103.4503	0.526	26	103.1489	0.525	36	103.2497	0.525	45	103.5669	1.053	54	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:4:4:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a]Mg)(CH3)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(H)2{1|Mg<5>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a]Mg)(CH3)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Mg<5>,1|C<3>,1|H<1>,1|O<3>,2|C<4>}	102.9060	0.000	1	103.6466	0.389	5	103.2497	0.525	45	103.5669	1.053	54	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:4:4:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a]Mg)(CH3)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(H)2{1|Mg<5>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a]Mg)(CH3)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Mg<5>,1|C<3>,1|H<1>,1|O<4>,2|C<4>}	103.8090	0.000	1	103.6466	0.389	5	103.2497	0.525	45	103.5669	1.053	54	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:4:4:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a]Mg)(CH3)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(H)2{1|Mg<6>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a]Mg)(CH3)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Mg<6>,1|C<3>,1|H<1>,1|O<3>,2|C<4>}	103.8393	0.660	3	103.6466	0.389	5	103.2497	0.525	45	103.5669	1.053	54	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:3:4:4:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a]Sr)(CH3)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(H)2{1|Sr<8>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a]Sr)(CH3)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Sr<8>,1|C<3>,1|H<1>,1|O<3>,2|C<4>}	103.6603	0.673	4	103.6603	0.453	4	103.2497	0.525	45	103.5669	1.053	54	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:2:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:N[6a]-2:C[5]-4:	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)2(H)2	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6,6a])(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)2(H)2{1|C<3>,1|N<2>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6,6a])(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	102.8270	0.000	1	102.8270	0.000	1	103.8070	1.921	2	105.1565	4.912	4	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:2:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:N[6a]-2:C[5]-4:	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)2(H)2	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)2(H)2{1|C<3>,1|N<2>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]HH){1|Br<1>,2|C<3>,4|H<1>}	104.7870	0.000	1	104.7870	0.000	1	103.8070	1.921	2	105.1565	4.912	4	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:2:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6a]-3:N[6a]-2:C[5]-4:	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]N[5,6a]HH)(H)2	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[5a,6a])(C[5]C[5]HH)	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]N[5,6a]HH)(H)2{1|C<3>,1|N<2>}	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[5a,6a])(C[5]C[5]HH){1|C<3>,1|O<1>,1|S<2>,4|H<1>}	104.8430	0.000	1	104.8430	0.000	1	104.8430	0.000	1	105.1565	4.912	4	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:2:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:S[5]-4:H-1:H-1:	C[5,6a]-3:N[6a]-2:C[5]-4:	C[5](C[5,6a]C[5,6a]N[6a])(C[5]S[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(S[5]C[5,6a]OO)(H)2	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5a,6a])(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]S[5]HH)(H)2{2|C<3>,2|O<1>}	C[5](C[5]C[5,6a]HH)(S[5]C[5,6a]OO)(H)2{1|C<3>,1|N<2>}	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5a,6a])(C[5]C[5]HH){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	108.1690	0.000	1	108.1690	0.000	1	108.1690	0.000	1	105.1565	4.912	4	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:Br-1:H-1:	C[5]-4:C[5]-4:Br-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(Br)(H)	C[5](C[5]C[5,6a]BrH)(C[5]C[5,6a]HH)(Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]BrH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(Br)(H){1|Br<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]BrH)(C[5]C[5,6a]HH)(Br)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]BrH){2|Br<1>,1|C<3>,1|O<2>,3|H<1>}	102.6910	0.000	1	102.6910	0.000	1	102.6910	0.000	1	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:Br-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]2)(C[5]C[5]HH)(Br)(H)	C[5](C[5]C[5,6a]BrH)2(H)2	C[5,6a](C[5,6a]C[5,6a]C[5])2(C[5]C[5]BrH)	C[5](C[5,6a]C[5,6a]2)(C[5]C[5]HH)(Br)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]BrH)2(H)2{2|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5])2(C[5]C[5]BrH){2|Br<1>,1|C<3>,3|C<4>,4|H<1>}	104.1185	0.891	6	104.1185	0.794	6	104.1185	0.794	6	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:F-1:F-1:	C[5]-4:C[5]-4:F-1:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]FF)(F)2	C[5](C[5]C[5,6a]FF)2(F)2	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]C)(C[5]C[5]FF)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]FF)(F)2{2|F<1>,3|C<3>}	C[5](C[5]C[5,6a]FF)2(F)2{2|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]C)(C[5]C[5]FF){1|C<4>,2|C<3>,4|F<1>}	104.5883	0.473	3	104.5883	0.224	3	104.5883	0.224	3	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:F-1:F-1:	C[5]-4:C[5]-4:F-1:F-1:	C[5a,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5]FF)(F)2	C[5](C[5]C[5,6a]FF)2(F)2	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5a,6a]C[5])(C[5]C[5]FF)	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5]FF)(F)2{2|F<1>,3|C<3>}	C[5](C[5]C[5,6a]FF)2(F)2{2|C<3>}	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5a,6a]C[5])(C[5]C[5]FF){1|H<1>,1|S<2>,3|C<3>,4|F<1>}	106.6495	1.590	2	106.6495	2.529	2	105.3028	3.077	5	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:F-1:F-1:	C[5]-4:C[5]-4:F-1:F-1:	C[5a,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5]FF)(F)2	C[5](C[5]C[5,6a]FF)2(F)2	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[6a]C[5])(C[5]C[5]FF)	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5]FF)(F)2{2|F<1>,3|C<3>}	C[5](C[5]C[5,6a]FF)2(F)2{2|C<3>}	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[6a]C[5])(C[5]C[5]FF){1|C<4>,1|S<2>,3|C<3>,4|F<1>}	105.7680	0.000	1	104.4050	1.867	3	105.3028	3.077	5	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:F-1:F-1:	C[5]-4:C[5]-4:F-1:F-1:	C[5a,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5]FF)(F)2	C[5](C[5]C[5,6a]FF)2(F)2	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[6a]C[5])(C[5]C[5]FF)	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5]FF)(F)2{2|F<1>,3|C<3>}	C[5](C[5]C[5,6a]FF)2(F)2{2|C<3>}	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[6a]C[5])(C[5]C[5]FF){1|H<1>,1|S<2>,3|C<3>,4|F<1>}	103.7235	0.974	2	104.4050	1.867	3	105.3028	3.077	5	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]HH)(H)2	C[5](C[3,5]C[3,5,6,6]2C[5,6a])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5](C[3,5]C[3,5,6,6]2C[5,6a])(C[5]C[5,6a]HH)(H)2{6|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,2|C<4>,4|H<1>}	102.9720	0.000	1	102.9720	0.000	1	104.2335	3.183	2	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]HH)(H)2	C[5](C[3,5]C[5,6a]C[3,5]2)(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5](C[3,5]C[5,6a]C[3,5]2)(C[5]C[5,6a]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,2|C<4>,4|H<1>}	105.4950	0.000	1	105.4950	0.000	1	104.2335	3.183	2	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:Br-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]BrH)(H)2	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]HH)(Br)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]BrH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]HH)(Br)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,3|H<1>}	100.9720	0.600	2	100.9720	0.360	2	100.9720	0.360	2	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:Cl-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]ClH)(H)2	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]HH)(Cl)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]ClH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]HH)(Cl)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,3|H<1>}	101.3065	0.773	2	101.3065	0.597	2	101.3065	0.597	2	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2{1|Br<1>,1|C<4>,3|C<3>}	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(C[5]C[5]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	102.9790	0.324	2	102.9790	0.105	2	102.8799	0.324	37	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	102.7426	0.366	10	102.6514	0.206	15	102.8799	0.324	37	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,3|C<3>,3|H<1>}	102.8630	0.000	1	102.6514	0.206	15	102.8799	0.324	37	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,2|C<4>,3|H<1>}	102.3705	0.640	4	102.6514	0.206	15	102.8799	0.324	37	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	102.8390	0.000	1	102.8390	0.000	1	102.8799	0.324	37	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,3|C<3>,3|H<1>}	103.7280	0.000	1	103.7280	0.000	1	102.8799	0.324	37	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2{1|Br<1>,1|C<4>,1|N<3>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	103.6380	0.000	1	103.6380	0.000	1	102.8799	0.324	37	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	102.6480	0.274	2	102.7863	0.113	15	102.8799	0.324	37	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,1|P<4>,3|H<1>}	102.4150	0.230	3	102.7863	0.113	15	102.8799	0.324	37	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	102.6960	0.000	1	102.7863	0.113	15	102.8799	0.324	37	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,1|P<3>,3|H<1>}	102.6635	0.022	2	102.7863	0.113	15	102.8799	0.324	37	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	103.1810	0.000	1	102.7863	0.113	15	102.8799	0.324	37	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<3>,3|C<3>,3|H<1>}	102.9865	0.484	2	102.7863	0.113	15	102.8799	0.324	37	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,2|N<3>,3|H<1>}	103.0190	0.276	4	102.7863	0.113	15	102.8799	0.324	37	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)2{1|H<1>,1|O<2>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]HH)(H)2{1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	104.4140	0.392	2	104.4140	0.153	2	102.8799	0.324	37	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6,6a]C[5,6]O)(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5,6]C[5,6,6a]C[5,6]O)(C[5]C[5,6a]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	105.9100	0.000	1	105.9100	0.000	1	104.5055	3.945	2	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH)(H)2{1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	103.1010	0.000	1	103.1010	0.000	1	104.5055	3.945	2	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(H)2{1|H<1>,4|C<3>}	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<2>,3|C<3>,3|H<1>}	102.9220	0.000	1	102.9220	0.000	1	103.7697	0.889	3	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6a]C[6,6a]O[6])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<2>,3|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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<2>,2|C<3>,4|H<1>}	103.6020	0.000	1	103.6020	0.000	1	103.7697	0.889	3	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(H)2	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]HH)(H)2{1|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	104.7850	0.000	1	104.7850	0.000	1	103.7697	0.889	3	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:Br-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(H)2	C[5](C[5]C[5,6a]BrH)(C[5]C[5,6a]HH)(Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(H)2{2|Br<1>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]BrH)(C[5]C[5,6a]HH)(Br)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]HH){4|Br<1>,1|C<3>,2|H<1>}	101.1680	0.000	1	101.1680	0.000	1	101.1093	0.052	3	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:Br-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(H)2{1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(Br)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|C<3>,1|N<2>,4|H<1>}	100.8570	0.000	1	100.8570	0.000	1	101.1093	0.052	3	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:Br-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(H)2{1|Br<1>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(Br)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]HH){1|Br<1>,1|C<3>,1|O<2>,4|H<1>}	101.3030	0.000	1	101.3030	0.000	1	101.1093	0.052	3	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]FH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(F)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]FH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(F)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|F<1>,1|N<3>,4|H<1>}	104.8390	0.000	1	104.8390	0.000	1	103.0180	6.632	2	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]FH)(H)2	C[5](C[5]C[5,6a]N[5a]H)(C[5]C[5,6a]HH)(F)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]FH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]N[5a]H)(C[5]C[5,6a]HH)(F)(H){1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|F<1>,1|N<3>,4|H<1>}	101.1970	0.000	1	101.1970	0.000	1	103.0180	6.632	2	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)2(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6,6a]2)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HH)2(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6,6a]2)(C[5]C[5]HH){1|P<4>,4|C<3>,4|H<1>}	105.3170	0.000	1	105.3170	0.000	1	105.3170	0.000	1	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{2|C<3>,3|C<4>}	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HH)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<3>,2|C<4>,4|H<1>}	102.4490	0.000	1	102.4490	0.000	1	103.4122	0.475	111	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HH)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,2|C<4>,4|H<1>}	104.5990	0.000	1	104.5990	0.000	1	103.4122	0.475	111	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HH)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	102.3690	0.000	1	102.3690	0.000	1	103.4122	0.475	111	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,2|C<4>,4|H<1>}	103.4640	0.000	1	103.4640	0.000	1	103.4122	0.475	111	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	103.4960	0.000	1	103.4960	0.000	1	103.4122	0.475	111	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	103.8650	0.000	1	103.9315	0.009	2	103.4122	0.475	111	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Cl<1>,1|C<3>,1|C<4>,4|H<1>}	103.9980	0.000	1	103.9315	0.009	2	103.4122	0.475	111	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]HH)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|F<1>,1|O<2>,3|H<1>}	103.8880	0.000	1	103.6000	0.170	3	103.4122	0.475	111	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]HH)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	103.4560	0.465	2	103.6000	0.170	3	103.4122	0.475	111	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,5|H<1>}	103.4280	0.877	4	103.5075	1.039	6	103.4122	0.475	111	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	102.4810	0.000	1	103.5075	1.039	6	103.4122	0.475	111	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H)2{1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,5|H<1>}	104.8520	0.000	1	103.5075	1.039	6	103.4122	0.475	111	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]C[6]C)(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|Cl<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6a]C[6]C)(C[5]C[5,6a]HH)(H)2{1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]C[5]HH){1|C<3>,2|C<4>,4|H<1>}	104.2370	0.000	1	104.2370	0.000	1	103.4122	0.475	111	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]C[6]O)(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5,6a]C[6]O)(C[5]C[5,6a]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	103.3227	0.384	3	103.3227	0.148	3	103.4122	0.475	111	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]C)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<4>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]HH)(H)2{6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]C)(C[5]C[5]HH){1|Cl<1>,2|H<1>,4|C<3>}	102.1870	0.000	1	102.1870	0.000	1	103.4122	0.475	111	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]HH)(H)2{4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,4|H<1>}	103.2600	0.000	1	103.2600	0.000	1	103.4122	0.475	111	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)(H)2{4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,5|H<1>}	102.8326	0.243	5	102.8326	0.059	5	103.4122	0.475	111	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	103.8000	0.000	1	103.8000	0.000	1	103.4122	0.475	111	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<3>,5|H<1>}	103.1033	0.337	4	103.4135	0.315	6	103.4122	0.475	111	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,2|N<3>,4|H<1>}	103.8330	0.000	1	103.4135	0.315	6	103.4122	0.475	111	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|N<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<4>,4|H<1>}	104.2350	0.000	1	103.4135	0.315	6	103.4122	0.475	111	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH){1|O<2>,2|C<3>,4|H<1>}	104.1830	0.000	1	104.1830	0.000	1	103.4122	0.475	111	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<2>,5|H<1>}	103.4130	0.610	3	103.4130	0.372	3	103.4122	0.475	111	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]C[5]HH){1|C<3>,1|O<2>,5|H<1>}	103.1700	0.000	2	103.1700	0.000	2	103.4122	0.475	111	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)2	C[5,6a](C[5,6a]N[5a,6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)2{1|C<3>,1|N<3>}	C[5,6a](C[5,6a]N[5a,6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<3>,1|N<2>,1|O<2>,4|H<1>}	103.4350	0.000	1	103.4350	0.000	1	103.4122	0.475	111	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)2	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)2{1|C<3>,1|N<2>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<3>,1|O<2>,4|H<1>}	103.1385	0.554	14	103.1385	0.306	14	103.4122	0.475	111	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)2	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)2{1|C<3>,1|N<2>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<2>,4|H<1>}	104.0350	0.000	1	104.0350	0.000	1	103.4122	0.475	111	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)2(H)2	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HH)2(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){2|C<3>,5|H<1>}	104.5800	0.000	1	104.5800	0.000	1	103.4122	0.475	111	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)2(H)2	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)2(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,5|H<1>}	103.3120	0.000	1	103.3120	0.000	1	103.4122	0.475	111	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)2(H)2	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HH)2(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH){4|H<1>,5|C<3>}	103.9995	0.674	2	103.9995	0.454	2	103.4122	0.475	111	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)2(H)2	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)2(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N)(C[5]C[5]HH){2|C<3>,5|H<1>}	103.8170	0.000	1	103.8170	0.000	1	103.4122	0.475	111	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)2(H)2	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]N[6a]C)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5]C[5,6a]HH)2(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]N[6a]C)(C[5]C[5]HH){2|C<3>,4|H<1>}	103.1190	0.000	1	103.1190	0.000	1	103.4122	0.475	111	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)2(H)2	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]O[6a]O)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5,6a]HH)2(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]O[6a]O)(C[5]C[5]HH){2|C<3>,4|H<1>}	102.8160	0.000	1	102.8160	0.000	1	103.4122	0.475	111	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)2(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)2(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,5|H<1>}	103.7280	0.000	1	103.6265	0.021	2	103.4122	0.475	111	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)2(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)2(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]C[5]HH){1|C<3>,1|O<2>,5|H<1>}	103.5250	0.000	1	103.6265	0.021	2	103.4122	0.475	111	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)2(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HH)2(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<2>,1|N<2>,3|C<3>,4|H<1>}	102.4880	0.000	1	103.6290	2.604	2	103.4122	0.475	111	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)2(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HH)2(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH){2|C<2>,3|C<3>,4|H<1>}	104.7700	0.000	1	103.6290	2.604	2	103.4122	0.475	111	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)2(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)2(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|N<3>,2|C<3>,4|H<1>}	104.7810	0.000	1	103.4316	1.070	5	103.4122	0.475	111	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)2(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HH)2(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<4>,2|C<3>,4|H<1>}	103.1045	0.945	2	103.4316	1.070	5	103.4122	0.475	111	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)2(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HH)2(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){3|C<3>,4|H<1>}	103.0840	1.054	2	103.4316	1.070	5	103.4122	0.475	111	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)2(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)2(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	104.3050	1.018	2	103.4391	0.537	12	103.4122	0.475	111	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)2(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)2(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<3>,5|H<1>}	103.2605	0.664	4	103.4391	0.537	12	103.4122	0.475	111	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)2(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)2(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<2>,5|H<1>}	102.9740	0.000	1	103.4391	0.537	12	103.4122	0.475	111	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)2(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)2(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,6|H<1>}	103.7570	0.000	1	103.4391	0.537	12	103.4122	0.475	111	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)2(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)2(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,5|H<1>}	103.2215	0.687	4	103.4391	0.537	12	103.4122	0.475	111	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)2(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)2(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]C[5]HH){1|C<3>,1|N<2>,5|H<1>}	103.8090	0.000	1	103.8090	0.000	1	103.4122	0.475	111	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)2(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6a])(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)2(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6a])(C[5]C[5]HH){1|N<2>,3|C<3>,4|H<1>}	102.2220	0.000	1	103.3783	1.639	3	103.4122	0.475	111	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)2(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6a])(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)2(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6a])(C[5]C[5]HH){1|C<4>,3|C<3>,5|H<1>}	103.9565	1.128	2	103.3783	1.639	3	103.4122	0.475	111	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)2(H)2	C[5,6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)2(H)2{1|C<3>,1|N<3>}	C[5,6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){2|C<3>,5|H<1>}	103.3960	0.000	1	103.3960	0.000	1	103.4122	0.475	111	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)2(H)2	C[5,6a](C[5,6a]N[5a,6a]C[5])(C[6a]N[6a]C)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)2(H)2{1|C<3>,1|N<3>}	C[5,6a](C[5,6a]N[5a,6a]C[5])(C[6a]N[6a]C)(C[5]C[5]HH){1|C<3>,1|N<2>,4|H<1>}	103.7083	0.432	6	103.7083	0.187	6	103.4122	0.475	111	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)2(H)2	C[5,6a](C[5,6a]N[5a,6a]C[5])(C[6a]N[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|N<2>,1|N<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)2(H)2{1|C<3>,1|N<3>}	C[5,6a](C[5,6a]N[5a,6a]C[5])(C[6a]N[6a]H)(C[5]C[5]HH){1|C<3>,1|N<2>,4|H<1>}	104.4810	0.000	1	104.4810	0.000	1	103.4122	0.475	111	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)2(H)2	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6,6a]N)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)2(H)2{1|C<3>,1|N<2>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6,6a]N)(C[5]C[5]HH){1|C<3>,1|C<4>,4|H<1>}	102.9010	0.000	1	102.9010	0.000	1	103.4122	0.475	111	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)2(H)2	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]Br)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|Br<1>,1|C<3>,1|N<2>,2|H<1>}	C[5](C[5]C[5,6a]HH)2(H)2{1|C<3>,1|N<2>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]Br)(C[5]C[5]HH){2|C<3>,4|H<1>}	104.5290	0.000	1	104.5290	0.000	1	103.4122	0.475	111	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)2(H)2	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)2(H)2{1|C<3>,1|N<2>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<2>,3|C<3>,4|H<1>}	102.8260	0.000	1	102.8260	0.000	1	103.4122	0.475	111	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)2(H)2	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5]C[5,6a]HH)2(H)2{1|C<3>,1|N<2>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<3>,5|H<1>}	104.7450	0.000	1	104.0765	0.894	2	103.4122	0.475	111	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)2(H)2	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)2(H)2{1|C<3>,1|N<3>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<3>,1|C<4>,5|H<1>}	103.4080	0.000	1	104.0765	0.894	2	103.4122	0.475	111	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)2(H)2	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]N[6a]N)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|N<2>,2|H<1>,2|N<3>}	C[5](C[5]C[5,6a]HH)2(H)2{1|C<3>,1|N<3>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]N[6a]N)(C[5]C[5]HH){1|C<3>,1|C<4>,4|H<1>}	103.7590	0.000	1	103.7590	0.000	1	103.4122	0.475	111	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)2(H)2	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]N[6a]O)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|O<2>,2|H<1>,2|N<2>}	C[5](C[5]C[5,6a]HH)2(H)2{1|C<3>,1|N<2>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]N[6a]O)(C[5]C[5]HH){1|C<3>,4|H<1>}	102.2475	0.501	2	102.2475	0.251	2	103.4122	0.475	111	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)2(H)2	C[5,6a](C[5,6a]O[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,2|O<2>}	C[5](C[5]C[5,6a]HH)2(H)2{1|C<3>,1|O<2>}	C[5,6a](C[5,6a]O[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|C<3>,1|C<4>,4|H<1>}	103.1090	0.000	1	103.1090	0.000	1	103.4122	0.475	111	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]N[4]H)(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|N<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]N[4]H)(C[5]C[5,6a]HH)(H)2{2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<4>,5|H<1>}	103.3350	0.054	2	103.3350	0.003	2	103.4122	0.475	111	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(H)2{4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<3>,5|H<1>}	103.3730	0.000	1	103.3730	0.000	1	103.4122	0.475	111	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]N[5a]H)(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]N[5a]H)(C[5]C[5,6a]HH)(H)2{4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<3>,5|H<1>}	103.5860	0.041	2	103.5860	0.002	2	103.4122	0.475	111	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]N[6,6]H)(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]N[6,6]H)(C[5]C[5,6a]HH)(H)2{1|C<4>,1|P<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<3>,5|H<1>}	102.7620	0.000	1	102.7620	0.000	1	103.4122	0.475	111	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:N[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)2(H)2	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a]C)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)2(H)2{1|C<3>,1|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a]C)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	102.9230	0.000	1	102.9230	0.000	1	103.1735	0.126	2	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:N[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)2(H)2	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a]C[5])(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)2(H)2{1|C<3>,1|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a]C[5])(C[5]C[5]HH){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,5|H<1>}	103.4240	0.000	1	103.4240	0.000	1	103.1735	0.126	2	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)2(H)2	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HH)2(H)2{2|C<3>}	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	103.4600	0.000	1	103.4600	0.000	1	103.4600	0.000	1	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)2(H)2	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HH)2(H)2{2|C<3>}	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){4|C<3>,5|H<1>}	103.6440	0.216	2	103.6440	0.047	2	103.6046	0.435	5	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)2(H)2	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HH)2(H)2{2|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	103.1940	0.000	1	103.5783	0.844	3	103.6046	0.435	5	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)2(H)2	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HH)2(H)2{2|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	104.6270	0.000	1	103.5783	0.844	3	103.6046	0.435	5	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)2(H)2	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HH)2(H)2{2|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|O<1>,1|O<2>,2|C<3>,5|H<1>}	102.9140	0.000	1	103.5783	0.844	3	103.6046	0.435	5	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]HH)(H)2	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{5|C<3>}	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]HH)(H)2{6|C<3>}	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|Cl<1>,2|H<1>,6|C<3>}	102.4890	0.000	1	102.6395	0.045	2	102.6395	0.045	2	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]HH)(H)2	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(H)2{5|C<3>}	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]HH)(H)2{6|C<3>}	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){2|H<1>,7|C<3>}	102.7900	0.000	1	102.6395	0.045	2	102.6395	0.045	2	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:N[5,6a]-3:C[5]-4:	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]N[5,6a]HH)(H)2	C[5,6a](C[6a]C[6a,6a]C[6a])(N[5,6a]C[6a]C[5])(C[5]C[5]HH)	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]N[5,6a]HH)(H)2{2|C<3>}	C[5,6a](C[6a]C[6a,6a]C[6a])(N[5,6a]C[6a]C[5])(C[5]C[5]HH){1|O<1>,4|C<3>,4|H<1>}	105.3770	0.000	1	105.3770	0.000	1	105.3770	0.000	1	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]N[5,6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)2(H)2	C[5,6a](N[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]N[5,6a])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HH)2(H)2{1|C<3>,1|N<3>}	C[5,6a](N[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	100.5300	0.000	1	100.5300	0.000	1	100.5300	0.000	1	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]N[5,6a]HH)(H)2	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]N[5a,6a]N)(C[5]C[5]HH)	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,2|N<3>}	C[5](C[5]C[5,6a]HH)(C[5]N[5,6a]HH)(H)2{2|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]N[5a,6a]N)(C[5]C[5]HH){1|O<1>,2|C<3>,4|H<1>}	103.0042	0.992	4	103.0042	0.985	4	103.2032	0.936	5	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]N[5,6a]HH)(H)2	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]N[6a]Cl)(C[5]C[5]HH)	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(H)2{1|Cl<1>,1|C<3>,1|N<2>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]N[5,6a]HH)(H)2{2|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]N[6a]Cl)(C[5]C[5]HH){1|C<3>,1|O<1>,4|H<1>}	103.9990	0.000	1	103.9990	0.000	1	103.2032	0.936	5	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	N[5a,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]N[5a,6a]C[5,6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)2(H)2	C[5,6a](N[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	C[5](C[5,6a]N[5a,6a]C[5,6a])(C[5]C[5]HH)(H)2{1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)2(H)2{1|C<3>,1|N<3>}	C[5,6a](N[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	101.8867	0.368	6	101.9319	0.127	7	101.9319	0.127	7	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	N[5a,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]N[5a,6a]C[5,6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)2(H)2	C[5,6a](N[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	C[5](C[5,6a]N[5a,6a]C[5,6a])(C[5]C[5]HH)(H)2{1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)2(H)2{1|C<3>,1|N<3>}	C[5,6a](N[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|N<2>,2|C<3>,5|H<1>}	102.2030	0.000	1	101.9319	0.127	7	101.9319	0.127	7	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:I-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HI)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)(I)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HI)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)(I){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|I<1>,1|N<3>,4|H<1>}	102.6410	0.000	1	102.6410	0.000	1	102.6410	0.000	1	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]BH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|B<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]BH)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|B<4>,1|C<3>,5|H<1>}	102.4690	0.000	1	102.4690	0.000	1	102.4690	0.000	1	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5](N[5]C[5,6a]AlC)(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|Al<4>,1|C<4>,1|H<1>,2|C<3>}	C[5](N[5]C[5,6a]AlC)(C[5]C[5,6a]HH)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Al<4>,1|Cl<1>,1|C<3>,1|C<4>,3|H<1>}	102.0845	0.037	2	102.0845	0.001	2	102.9197	0.931	4	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5](N[5]C[5,6a]C[6a]Pd)(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|Pd<4>,1|H<1>,3|C<3>}	C[5](N[5]C[5,6a]C[6a]Pd)(C[5]C[5,6a]HH)(H)2{4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Pd<4>,2|C<3>,4|H<1>}	103.7400	0.000	1	103.7400	0.000	1	102.9197	0.931	4	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	N[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2	C[5](N[5]C[5,6a]ReH)(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(H)2{1|Re<5>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]ReH)(C[5]C[5,6a]HH)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Re<5>,1|C<3>,5|H<1>}	103.7700	0.000	1	103.7700	0.000	1	102.9197	0.931	4	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(H)2	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a,6a]P[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(H)2{1|H<1>,1|O<1>,3|C<3>}	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]HH)(H)2{4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]P[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<1>,3|C<3>,3|H<1>}	109.4510	0.000	1	109.4510	0.000	1	108.3558	1.005	4	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(H)2	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(H)2{1|H<1>,1|O<1>,3|C<3>}	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]HH)(H)2{4|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<1>,2|C<3>,4|H<1>}	108.3600	0.772	2	108.3600	0.596	2	108.3558	1.005	4	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(H)2	C[5](P[5]C[5,6a]C[6a]S)(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(H)2{1|H<1>,1|S<1>,3|C<3>}	C[5](P[5]C[5,6a]C[6a]S)(C[5]C[5,6a]HH)(H)2{4|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|S<1>,2|C<3>,4|H<1>}	107.2520	0.000	1	107.2520	0.000	1	108.3558	1.005	4	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	Si[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]HH)(H)2	C[5](Si[5]C[5,6a]CO)(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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>}	C[5](Si[5]C[5,6a]CO)(C[5]C[5,6a]HH)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	110.3655	0.062	2	110.3655	0.004	2	110.3655	0.004	2	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:O-1:	C[5]-4:C[5]-4:Br-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(H)(O)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HO)(Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(H)(O){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HO)(Br)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|Br<1>,1|C<3>,2|H<1>,3|C<4>}	101.0291	1.535	3	101.0291	2.357	3	101.0291	2.357	3	103.3954	2.009	219	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:4:2:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HH)(N[6a]C[6a])	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)2{1|C<3>,1|N<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HH)(N[6a]C[6a]){1|N<3>,2|C<3>,4|H<1>}	102.8815	0.337	2	102.8815	0.114	2	103.2010	0.188	6	103.0844	0.251	7	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:4:2:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)2(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HH)(N[6a]C[6a])	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)2(H)2{1|C<3>,1|N<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HH)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	103.8410	0.000	1	103.3607	0.173	4	103.2010	0.188	6	103.0844	0.251	7	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:4:2:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)2(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HH)(N[6a]C[6a])	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)2(H)2{1|C<3>,1|N<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HH)(N[6a]C[6a]){1|N<2>,1|O<2>,1|S<2>,4|H<1>}	103.2335	0.452	2	103.3607	0.173	4	103.2010	0.188	6	103.0844	0.251	7	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:4:2:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)2(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HH)(N[6a]C[6a])	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)2(H)2{1|C<3>,1|N<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HH)(N[6a]C[6a]){1|N<3>,2|C<3>,4|H<1>}	103.1350	0.000	1	103.3607	0.173	4	103.2010	0.188	6	103.0844	0.251	7	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:1:1:	3:4:2:	C[5,6a]-3:C[5]-4:H-1: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[5,6a]C[5,6a]O[6a])(C[5]C[5]HH)(H)2	C[5](C[5]C[5,6a]HH)2(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HH)(O[6a]C[6a])	C[5](C[5,6a]C[5,6a]O[6a])(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)2(H)2{1|C<3>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HH)(O[6a]C[6a]){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	102.3850	0.000	1	102.3850	0.000	1	102.3850	0.000	1	103.0844	0.251	7	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:2:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HO)(H)2	C[5](C[5,5]C[5,6a]C[3,5]C[5])(C[5]C[5,6a]HH)(OH)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HO)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5](C[5,5]C[5,6a]C[3,5]C[5])(C[5]C[5,6a]HH)(OH)(H){2|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	102.4150	0.000	1	102.4150	0.000	1	102.4150	0.000	1	103.4611	0.943	24	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:2:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2	C[5](C[5]C[3x3,4,3x5,14x6]C[5,6a]H)(C[5]C[5,6a]HH)(OH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2{1|C<5>,2|C<3>,2|H<1>}	C[5](C[5]C[3x3,4,3x5,14x6]C[5,6a]H)(C[5]C[5,6a]HH)(OH)(H){2|C<3>,4|B<6>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<5>,1|O<2>,4|H<1>}	103.9240	0.000	1	103.9240	0.000	1	103.6400	0.550	22	103.4611	0.943	24	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:2:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2{1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OC)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<2>,1|O<2>,4|H<1>}	104.7610	0.000	1	104.2317	1.783	3	103.6400	0.550	22	103.4611	0.943	24	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:2:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OC)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	103.9670	1.773	2	104.2317	1.783	3	103.6400	0.550	22	103.4611	0.943	24	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:2:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2{1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OH)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<2>,1|O<2>,4|H<1>}	103.4240	0.952	3	103.3094	0.378	11	103.6400	0.550	22	103.4611	0.943	24	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:2:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OH)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	103.2664	0.523	8	103.3094	0.378	11	103.6400	0.550	22	103.4611	0.943	24	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:2:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(ON[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(ON[5])(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,2|O<2>,4|H<1>}	103.5700	0.000	1	103.5700	0.000	1	103.6400	0.550	22	103.4611	0.943	24	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:2:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2	C[5](C[5]C[5,6a]HH)2(OC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2{2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)2(OC)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<2>,5|H<1>}	104.2505	0.015	2	104.2505	0.000	2	103.6400	0.550	22	103.4611	0.943	24	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:2:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2	C[5](C[5]C[5,6a]HH)2(OC[6a])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2{2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)2(OC[6a])(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<2>,5|H<1>}	104.2115	0.043	2	104.2115	0.002	2	103.6400	0.550	22	103.4611	0.943	24	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:2:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2	C[5](C[5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(OH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(OH)(H){1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	103.2815	0.457	2	103.2815	0.209	2	103.6400	0.550	22	103.4611	0.943	24	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:2:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]H)(H)2	C[5](C[5]C[5,6]C[5]C)(C[5]C[5,6a]HH)(O[5]C[5,6a])(H)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]O[6a]O)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]H)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5,6]C[5]C)(C[5]C[5,6a]HH)(O[5]C[5,6a])(H){2|C<3>,2|H<1>,4|C<4>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]O[6a]O)(C[5]C[5]HH){1|C<4>,1|H<1>,2|C<3>}	100.5730	0.000	1	100.5730	0.000	1	100.5730	0.000	1	103.4611	0.943	24	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:2:2:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-2:C-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]HH)(CN)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]HH)(CN)2{6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<2>,2|H<1>,3|C<3>}	103.0500	0.000	1	103.0500	0.000	1	103.0500	0.000	1	103.0500	0.000	1	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(H)2	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]HH)(CCH)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(H)2{1|H<1>,4|C<3>}	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[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|H<1>,4|C<3>}	104.1670	0.000	1	104.1670	0.000	1	104.7583	0.263	3	103.6182	0.930	25	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(H)2	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]HH)(CCC)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(H)2{1|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]HH)(CCC)(H){2|C<3>,2|C<4>,2|O<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|H<1>,4|C<3>}	105.0790	0.000	1	105.0790	0.000	1	104.7583	0.263	3	103.6182	0.930	25	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(H)2	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]HH)(CClC)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(H)2{1|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]HH)(CClC)(H){2|C<3>,2|C<4>,2|O<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|H<1>,4|C<3>}	105.0290	0.000	1	105.0290	0.000	1	104.7583	0.263	3	103.6182	0.930	25	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5]H)(H)2	C[5](C[5,6]C[5,5,6]C[5,6]C)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5]H)(H)2{1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5](C[5,6]C[5,5,6]C[5,6]C)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H){2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	105.3520	0.000	1	105.3520	0.000	1	105.3520	0.000	1	103.6182	0.930	25	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CC[6a]O)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,4|H<1>}	103.3025	0.050	2	103.3025	0.003	2	102.9277	0.423	3	103.6182	0.930	25	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)(CC[6a]O)(H){4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,4|H<1>}	102.1780	0.000	1	102.1780	0.000	1	102.9277	0.423	3	103.6182	0.930	25	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(H)2	C[5](C[5]C[5,6a]2O)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(F)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5](C[5]C[5,6a]2O)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(F){1|N<2>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|F<1>,1|O<1>,2|H<1>}	103.1860	0.000	1	103.1860	0.000	1	103.8063	0.504	3	103.6182	0.930	25	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(H)2	C[5](C[5]C[5,6a]C[5]O)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(F)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5](C[5]C[5,6a]C[5]O)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(F){1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|F<1>,1|O<1>,2|H<1>}	103.6520	0.000	1	103.6520	0.000	1	103.8063	0.504	3	103.6182	0.930	25	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(H)2	C[5](C[5]C[5,6a]N[5]C)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(F)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5]C[5,6a]N[5]C)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(F){1|H<1>,1|S<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|F<1>,1|O<1>,2|H<1>}	104.5810	0.000	1	104.5810	0.000	1	103.8063	0.504	3	103.6182	0.930	25	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(H)2	C[5](C[5]C[6a]C[5]N[5])(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5]C[6a]C[5]N[5])(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H){1|H<1>,1|O<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|F<1>,1|O<1>,2|H<1>}	105.2920	0.000	1	105.2920	0.000	1	105.2920	0.000	1	103.6182	0.930	25	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|I<1>,1|N<3>,2|C<3>,3|H<1>}	103.7705	0.186	2	103.7705	0.035	2	103.8822	0.369	5	103.6182	0.930	25	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)2	C[5](C[5]C[5,6a]HH)2(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]N[6a]C)(C[5]C[5]HH)	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[5](C[5]C[5,6a]HH)2(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]N[6a]C)(C[5]C[5]HH){3|C<3>,3|H<1>}	103.3590	0.000	1	103.3590	0.000	1	103.8822	0.369	5	103.6182	0.930	25	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)2	C[5](C[5]C[5,6a]HH)2(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	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[5](C[5]C[5,6a]HH)2(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){2|C<3>,5|H<1>}	104.9130	0.000	1	104.9130	0.000	1	103.8822	0.369	5	103.6182	0.930	25	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)2	C[5](C[5]C[5,6a]HH)2(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[5](C[5]C[5,6a]HH)2(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,4|H<1>}	103.5980	0.000	1	103.5980	0.000	1	103.8822	0.369	5	103.6182	0.930	25	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5]H)(H)2	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(C[6a]C[6a]2)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	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[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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	102.2960	0.000	1	102.2960	0.000	1	102.7037	0.078	4	103.6182	0.930	25	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5]H)(H)2	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)(C[6a]C[6a]2)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	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[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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	102.8350	0.105	2	102.8350	0.011	2	102.7037	0.078	4	103.6182	0.930	25	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5]H)(H)2	C[5](C[5]C[5,6a]HH)2(C[6a]C[6a]2)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	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[5](C[5]C[5,6a]HH)2(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|N<2>,4|C<3>,4|H<1>}	102.8490	0.000	1	102.8490	0.000	1	102.7037	0.078	4	103.6182	0.930	25	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(H)2	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(NHS)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(NHS)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	102.2200	0.000	1	102.2200	0.000	1	102.2200	0.000	1	103.6182	0.930	25	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5]N[5]H)(N[5]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5]N[5]H)(N[5]C[5,6a]H)(H){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,4|H<1>}	103.2220	0.491	4	103.2220	0.241	4	103.2220	0.241	4	103.6182	0.930	25	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:3:2:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CN)(H)2	C[5](C[5]C[5,6a]HH)2(CNO)(NC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CN)(H)2{2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)2(CNO)(NC){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<2>,2|C<3>,4|H<1>}	102.5595	0.336	2	102.5595	0.113	2	102.5595	0.113	2	103.3275	0.827	4	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:3:2:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(H)2	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HH)(C[6a]C[6a]2)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	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[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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	104.0955	0.101	2	104.0955	0.010	2	104.0955	0.010	2	103.3275	0.827	4	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:3:3:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]2)(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)2(COO)2	C[5,6a](C[5,6a]C[5,6a]Se[5])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]2)(C[5]C[5]CC)(H)2{1|Se<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)2(COO)2{2|C<3>}	C[5,6a](C[5,6a]C[5,6a]Se[5])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|C<2>,2|H<1>,5|C<3>}	103.4180	1.489	2	103.4180	2.218	2	103.4180	2.218	2	103.7478	0.747	83	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:3:3:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(COO)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(COO)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<3>,3|C<3>,3|H<1>}	103.0120	0.740	2	103.0120	0.547	2	103.6957	0.639	65	103.7478	0.747	83	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:3:3:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)2(CC[6a]O)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)2(CC[6a]O)(COO){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,4|H<1>}	105.0005	0.256	4	105.0005	0.066	4	103.6957	0.639	65	103.7478	0.747	83	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:3:3:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)2(CNO)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)2(CNO)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH){3|H<1>,4|C<3>}	103.7545	0.274	2	103.7545	0.075	2	103.6957	0.639	65	103.7478	0.747	83	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:3:3:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)2(CNO)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)2(CNO)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|I<1>,3|C<3>,3|H<1>}	102.6440	0.000	1	102.7035	0.142	6	103.6957	0.639	65	103.7478	0.747	83	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:3:3:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)2(CNO)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)2(CNO)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<2>,3|C<3>,3|H<1>}	102.4255	0.193	2	102.7035	0.142	6	103.6957	0.639	65	103.7478	0.747	83	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:3:3:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)2(CNO)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)2(CNO)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,4|H<1>}	102.9087	0.440	3	102.7035	0.142	6	103.6957	0.639	65	103.7478	0.747	83	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:3:3:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)2(COO)2	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|C<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)2(COO)2{2|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|Se<2>,2|H<1>,4|C<3>}	103.6870	0.899	2	103.6870	0.809	2	103.6957	0.639	65	103.7478	0.747	83	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:3:3:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)2(COO)2	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|C<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)2(COO)2{2|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|N<2>,2|H<1>,4|C<3>}	105.1020	0.000	1	105.1020	0.000	1	103.6957	0.639	65	103.7478	0.747	83	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:3:3:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)2(COO)2	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)2(COO)2{2|C<3>}	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,3|C<3>,3|H<1>}	103.6950	2.128	2	103.6950	4.530	2	103.6957	0.639	65	103.7478	0.747	83	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:3:3:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)2(COO)2	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|C<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)2(COO)2{2|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){2|H<1>,5|C<3>}	103.0910	0.000	1	103.0910	0.000	1	103.6957	0.639	65	103.7478	0.747	83	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:3:3:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)2(COO)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HH)2(COO)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(C[5]C[5]HH){1|C<4>,2|H<1>,4|C<3>}	103.6232	0.276	10	103.6232	0.076	10	103.6957	0.639	65	103.7478	0.747	83	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:3:3:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)2(COO)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HH)2(COO)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,3|H<1>,5|C<3>}	104.1770	0.000	1	104.1770	0.000	1	103.6957	0.639	65	103.7478	0.747	83	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:3:3:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)2(COO)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|C<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)2(COO)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|Cl<1>,2|H<1>,4|C<3>}	104.3870	0.197	2	104.0697	0.518	15	103.6957	0.639	65	103.7478	0.747	83	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:3:3:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)2(COO)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)2(COO)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|Br<1>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	103.3980	0.000	1	104.0697	0.518	15	103.6957	0.639	65	103.7478	0.747	83	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:3:3:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)2(COO)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)2(COO)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	103.6000	0.202	2	104.0697	0.518	15	103.6957	0.639	65	103.7478	0.747	83	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:3:3:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)2(COO)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)2(COO)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	104.0125	0.426	2	104.0697	0.518	15	103.6957	0.639	65	103.7478	0.747	83	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:3:3:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)2(COO)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)2(COO)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<4>,1|P<4>,2|H<1>,3|C<3>}	104.7470	0.000	1	104.0697	0.518	15	103.6957	0.639	65	103.7478	0.747	83	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:3:3:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)2(COO)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)2(COO)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<4>,2|H<1>,4|C<3>}	104.3617	0.798	3	104.0697	0.518	15	103.6957	0.639	65	103.7478	0.747	83	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:3:3:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)2(COO)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)2(COO)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	103.0820	0.000	1	104.0697	0.518	15	103.6957	0.639	65	103.7478	0.747	83	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:3:3:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)2(COO)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)2(COO)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|N<2>,2|H<1>,4|C<3>}	103.5980	0.573	2	104.0697	0.518	15	103.6957	0.639	65	103.7478	0.747	83	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:3:3:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)2(COO)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HH)2(COO)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	105.5390	0.000	1	104.0697	0.518	15	103.6957	0.639	65	103.7478	0.747	83	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:3:3:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)2(COO)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|Cl<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)2(COO)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]C[5]HH){1|C<2>,3|C<3>,3|H<1>}	104.1725	0.173	2	104.1725	0.030	2	103.6957	0.639	65	103.7478	0.747	83	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:3:3:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)2(COO)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)2(COO)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|H<1>,5|C<3>}	104.0840	0.000	1	104.0840	0.000	1	103.6957	0.639	65	103.7478	0.747	83	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:3:3:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)2(COO)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6a])(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)2(COO)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6a])(C[5]C[5]HH){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	102.6130	0.000	1	103.2090	0.710	2	103.6957	0.639	65	103.7478	0.747	83	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:3:3:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)2(COO)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6a])(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)2(COO)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6a])(C[5]C[5]HH){1|C<4>,2|H<1>,5|C<3>}	103.8050	0.000	1	103.2090	0.710	2	103.6957	0.639	65	103.7478	0.747	83	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:3:3:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)2(COO)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)2(COO)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|Br<1>,1|O<2>,2|H<1>,3|C<3>}	104.0020	0.284	2	103.6719	0.084	8	103.6957	0.639	65	103.7478	0.747	83	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:3:3:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)2(COO)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)2(COO)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|O<2>,3|C<3>,3|H<1>}	103.5618	0.208	6	103.6719	0.084	8	103.6957	0.639	65	103.7478	0.747	83	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:3:3:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)2(COO)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]Br)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|Br<1>,1|C<3>,1|N<2>,2|H<1>}	C[5](C[5]C[5,6a]HH)2(COO)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]Br)(C[5]C[5]HH){1|C<4>,2|H<1>,3|C<3>}	102.7920	0.000	1	102.7920	0.000	1	103.6957	0.639	65	103.7478	0.747	83	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:3:3:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)2(COO)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]C)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5]C[5,6a]HH)2(COO)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]C)(C[5]C[5]HH){1|C<4>,2|H<1>,3|C<3>}	102.4280	0.000	1	103.1833	0.494	4	103.6957	0.639	65	103.7478	0.747	83	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:3:3:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)2(COO)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]C)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)2(COO)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]C)(C[5]C[5]HH){1|C<4>,2|H<1>,4|C<3>}	103.4350	0.600	3	103.1833	0.494	4	103.6957	0.639	65	103.7478	0.747	83	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:3:3:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)2(COO)2	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]N[6a]C)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|C<4>,2|H<1>,2|N<2>}	C[5](C[5]C[5,6a]HH)2(COO)2{1|C<3>,1|N<2>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]N[6a]C)(C[5]C[5]HH){2|H<1>,3|C<3>}	102.3070	0.000	1	102.3070	0.000	1	103.6957	0.639	65	103.7478	0.747	83	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:3:3:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5a,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)2(COO)2	C[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5]CC)(H)2{1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)2(COO)2{2|C<3>}	C[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|C<2>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	104.7280	0.000	1	104.7280	0.000	1	104.7280	0.000	1	103.7478	0.747	83	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:3:3:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[6,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)2(COO)2	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5]C[5]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)2(COO)2{2|C<3>}	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	104.4190	1.048	2	104.4190	1.098	2	104.4190	1.098	2	103.7478	0.747	83	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:3:3:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)2(COO)2	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]CC)(H)2{2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HH)2(COO)2{2|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|C<2>,2|H<1>,6|C<3>}	103.5200	0.000	1	103.5200	0.000	1	103.5200	0.000	1	103.7478	0.747	83	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:3:3:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CN)(H)2	C[5](C[5]C[5,6a]HH)2(CNO)(NCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CN)(H)2{2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)2(CNO)(NCH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<3>,2|C<3>,4|H<1>}	103.4503	1.052	6	103.4503	1.106	6	103.6944	1.241	10	103.7478	0.747	83	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:3:3:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CN)(H)2	C[5](C[5]C[5,6a]HH)2(COO)(NCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CN)(H)2{2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)2(COO)(NCH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	105.1425	0.211	2	105.1425	0.045	2	103.6944	1.241	10	103.7478	0.747	83	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:3:3:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CN)(H)2	C[5](C[5]C[5,6a]HH)2(COO)(NCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CN)(H)2{2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)2(COO)(NCH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|N<3>,2|C<3>,3|H<1>}	102.8840	0.000	1	102.9785	0.018	2	103.6944	1.241	10	103.7478	0.747	83	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:3:3:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CN)(H)2	C[5](C[5]C[5,6a]HH)2(COO)(NCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CN)(H)2{2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)2(COO)(NCH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	103.0730	0.000	1	102.9785	0.018	2	103.6944	1.241	10	103.7478	0.747	83	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:3:3:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]C)(H)2	C[5](C[5]C[5,6a]HH)(C[6]C[6,6a]2H)(C[5]C[5,6a]O)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]C)(H)2{1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]HH)(C[6]C[6,6a]2H)(C[5]C[5,6a]O)(COO){6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	104.4910	0.000	1	104.4910	0.000	1	104.4910	0.000	1	103.7478	0.747	83	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:3:3:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[6]-4:C[5]-4:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]C)(H)2	C[5](C[6]C[5a,6]C[6]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[6]C[5a,6]C[6]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(COO){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	105.4880	0.000	1	105.4880	0.000	1	105.4880	0.000	1	103.7478	0.747	83	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:3:3:	3:4:2:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)2(COO)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HH)(N[6a]C[6a])	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]CC)(H)2{2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)2(COO)2{1|C<3>,1|N<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HH)(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	102.5580	0.000	1	102.5580	0.000	1	102.5580	0.000	1	102.5580	0.000	1	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:3:4:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(C[5]C[5]2)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(C[5]C[5]2)(CC[6a]HH){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	103.8960	0.000	1	103.8960	0.000	1	103.8960	0.000	1	103.8960	0.000	1	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:F-1:F-1:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]H)(F)2	C[5](C[5]C[5,6a]FF)(C[5]C[5,6a]HH)(C[6]C[6]2H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(C[5]C[5]FF)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]H)(F)2{1|F<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6a]FF)(C[5]C[5,6a]HH)(C[6]C[6]2H)(H){2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(C[5]C[5]FF){1|C<3>,1|C<4>,1|F<1>,4|H<1>}	105.4740	0.000	1	105.4740	0.000	1	105.4740	0.000	1	103.4433	1.562	46	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]CH)(H)2	C[5](C[3,5]C[5,6a]C[3,6]S[3])(C[5]C[5,6a]HH)(CH3)(H)	C[5,6a](C[5,6a]C[6a,6a]C[3,5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]CH)(H)2{1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5](C[3,5]C[5,6a]C[3,6]S[3])(C[5]C[5,6a]HH)(CH3)(H){4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[3,5])(C[6a]C[6a]H)(C[5]C[5]HH){1|S<2>,2|C<3>,2|C<4>,2|H<1>}	102.3850	0.000	1	102.3850	0.000	1	102.3850	0.000	1	103.4433	1.562	46	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]CH)(H)2	C[5](C[5,6]C[5,6,6a]C[3x6]H)(C[5]C[5,6a]HH)(CH3)(H)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6,6a]C[3x6]H)(C[5]C[5,6a]HH)(CH3)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|C<3>,2|H<1>,3|C<4>}	103.3730	0.000	1	103.3730	0.000	1	102.9530	0.353	2	103.4433	1.562	46	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]CH)(H)2	C[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]HH)(CH3)(H)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]HH)(CH3)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,3|C<4>,3|H<1>}	102.5330	0.000	1	102.5330	0.000	1	102.9530	0.353	2	103.4433	1.562	46	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HH)(CH3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HH)(CH3)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,3|C<4>,3|H<1>}	104.0850	0.000	1	104.0850	0.000	1	103.5862	0.718	29	103.4433	1.562	46	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HH)(CHHO)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HH)(CHHO)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,3|C<4>,3|H<1>}	103.6900	0.041	2	103.6900	0.002	2	103.5862	0.718	29	103.4433	1.562	46	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CCCO)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CCCO)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	104.6525	0.255	2	104.6525	0.065	2	103.5862	0.718	29	103.4433	1.562	46	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CC[6a]HO)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CC[6a]HO)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	103.4820	0.000	1	103.4820	0.000	1	103.5862	0.718	29	103.4433	1.562	46	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CH3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CH3)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	103.5605	0.312	2	103.8805	0.199	6	103.5862	0.718	29	103.4433	1.562	46	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CH3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CH3)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	103.7275	0.203	2	103.8805	0.199	6	103.5862	0.718	29	103.4433	1.562	46	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CH3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CH3)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,1|I<1>,2|C<3>,3|H<1>}	104.3535	0.398	2	103.8805	0.199	6	103.5862	0.718	29	103.4433	1.562	46	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CHHO)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CHHO)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,2|C<4>,4|H<1>}	102.9600	0.000	1	102.9600	0.000	1	103.5862	0.718	29	103.4433	1.562	46	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(CC[6a]HN)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(CC[6a]HN)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,2|C<4>,4|H<1>}	103.7705	0.105	2	103.7705	0.011	2	103.5862	0.718	29	103.4433	1.562	46	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)(CCCO)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)(CCCO)(H){4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,3|C<3>,3|H<1>}	103.3920	0.000	1	103.3920	0.000	1	103.5862	0.718	29	103.4433	1.562	46	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]HH)(CNiHH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|H<1>,1|O<3>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]HH)(CNiHH)(H){4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,1|O<3>,2|C<3>,3|H<1>}	103.9630	0.000	1	103.9630	0.000	1	103.5862	0.718	29	103.4433	1.562	46	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(CH3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(CH3)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	103.5140	0.000	1	103.5140	0.000	1	103.5862	0.718	29	103.4433	1.562	46	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CCHH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CCHH)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	103.2940	2.280	2	103.2940	5.197	2	103.5862	0.718	29	103.4433	1.562	46	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CCHN)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CCHN)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	102.5930	0.989	2	102.5930	0.977	2	103.5862	0.718	29	103.4433	1.562	46	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CH3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]B)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|B<3>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CH3)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]B)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	104.0700	0.000	1	104.0700	0.000	1	103.5862	0.718	29	103.4433	1.562	46	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CNiHH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{1|O<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CNiHH)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<3>,4|H<1>}	102.9695	2.317	2	102.9695	5.369	2	103.5862	0.718	29	103.4433	1.562	46	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2	C[5](C[5]C[5,6a]HH)2(CCHH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(H)2{2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)2(CCHH)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,5|H<1>}	103.3277	0.340	4	103.3277	0.116	4	103.5862	0.718	29	103.4433	1.562	46	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(H)2	C[5](C[5]C[5,6a]C[5]O)(C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(F)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(H)2{2|H<1>,2|O<2>,4|C<3>}	C[5](C[5]C[5,6a]C[5]O)(C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(F){1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|F<1>,1|O<2>,3|H<1>}	103.0560	0.000	1	103.0560	0.000	1	103.0560	0.000	1	103.4433	1.562	46	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(H)2	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(H)2{1|C<4>,3|H<1>,4|C<3>}	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,4|H<1>}	104.6420	0.033	2	104.6420	0.001	2	104.6420	0.001	2	103.4433	1.562	46	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]H)(H)2	C[5](C[5]C[5,6a]FF)(C[5]C[5,6a]HH)(C[6]C[6]2H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]H)(H)2{2|C<3>,2|C<4>,2|F<1>,2|H<1>}	C[5](C[5]C[5,6a]FF)(C[5]C[5,6a]HH)(C[6]C[6]2H)(H){2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|H<1>,2|C<4>,3|F<1>}	103.8430	0.000	1	103.8430	0.000	1	103.8430	0.000	1	103.4433	1.562	46	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(H)2	C[5](C[5]C[5,6a]HH)2(NH3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(H)2{2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)2(NH3)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]HH){1|C<3>,1|N<4>,1|O<2>,4|H<1>}	101.4990	0.092	2	101.4990	0.008	2	101.4990	0.008	2	103.4433	1.562	46	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(H)2	C[5](C[5]C[5,6a]HH)2(N[5]C[5]2H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6a]HH)2(N[5]C[5]2H)(H){1|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<4>,2|C<3>,4|H<1>}	101.6990	0.000	1	101.6990	0.000	1	101.6990	0.000	1	103.4433	1.562	46	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N[5]-4:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]N[5]H)(H)2	C[5](C[5]C[5,6a]HH)2(N[5]C[5]2H)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]N[5]H)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)2(N[5]C[5]2H)(H){1|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|N<4>,3|C<3>,5|H<1>}	102.1640	0.000	1	102.1640	0.000	1	102.1640	0.000	1	103.4433	1.562	46	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:S-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HS)(H)2	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)(SC[6a]OO)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HS)(H)2{2|H<1>,3|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[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|S<4>,3|C<3>,3|H<1>}	104.0980	0.000	1	104.0980	0.000	1	102.5307	2.872	4	103.4433	1.562	46	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:S-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HS)(H)2	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)(SC[6a]OO)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HS)(H)2{1|Br<1>,1|H<1>,3|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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]HH){1|S<4>,2|C<3>,4|H<1>}	103.8950	0.000	1	103.8950	0.000	1	102.5307	2.872	4	103.4433	1.562	46	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:S-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HS)(H)2	C[5](C[5]C[5,6a]HH)2(SN[6]OO)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HS)(H)2{2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)2(SN[6]OO)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|S<4>,5|H<1>}	101.0650	0.027	2	101.0650	0.001	2	102.5307	2.872	4	103.4433	1.562	46	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]CH)(H)2	C[5](P[5]C[5,6a]C[6a]B)(C[5]C[5,6a]HH)(CH3)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]CH)(H)2{1|B<4>,1|H<1>,3|C<3>}	C[5](P[5]C[5,6a]C[6a]B)(C[5]C[5,6a]HH)(CH3)(H){4|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|B<4>,1|C<4>,2|C<3>,3|H<1>}	107.4630	0.000	1	107.4630	0.000	1	107.4630	0.000	1	103.4433	1.562	46	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:4:2:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(H)2	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]HH)(CH3)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(H)2{1|Br<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]HH)(CH3)(OH){4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]HH){1|C<4>,3|C<3>,3|O<2>}	103.4510	0.000	1	103.4510	0.000	1	103.4697	0.004	3	103.4697	0.004	3	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:4:2:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CC[6]CH)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CC[6]CH)(OH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	103.5380	0.000	1	103.5380	0.000	1	103.4697	0.004	3	103.4697	0.004	3	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:4:2:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CC[6a]CH)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CC[6a]CH)(OH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	103.4200	0.000	1	103.4200	0.000	1	103.4697	0.004	3	103.4697	0.004	3	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:4:3:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]HH)(CF3)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]HH)(CF3)(COO){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	104.4010	0.000	1	104.4010	0.000	1	104.4010	0.000	1	103.6803	0.396	3	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:4:3:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CN)(H)2	C[5](C[5]C[5,6a]HH)2(NH3)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CN)(H)2{2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)2(NH3)(COO){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<4>,1|O<2>,2|C<3>,3|H<1>}	103.2410	0.000	1	103.3200	0.012	2	103.3200	0.012	2	103.6803	0.396	3	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:4:3:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CN)(H)2	C[5](C[5]C[5,6a]HH)2(NH3)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CN)(H)2{2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)2(NH3)(COO){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<4>,2|C<3>,4|H<1>}	103.3990	0.000	1	103.3200	0.012	2	103.3200	0.012	2	103.6803	0.396	3	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:4:4:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CC)(H)2	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]HH)(CCHO)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CC)(H)2{1|C<4>,2|C<3>,2|O<2>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]HH)(CCHO)(CH3){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)(C[5]C[5]HH){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	102.9100	0.000	1	102.9100	0.000	1	102.9100	0.000	1	103.8211	0.270	22	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:4:4:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CCCH)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CCCH)(CH3){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,3|C<4>,3|H<1>}	103.6130	0.000	1	103.6130	0.000	1	103.9207	0.220	19	103.8211	0.270	22	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:4:4:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CCHH)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CCHH)(CH3){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	103.4940	0.000	1	103.4940	0.000	1	103.9207	0.220	19	103.8211	0.270	22	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:4:4:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CH3)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CH3)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	104.0712	0.551	6	104.0651	0.253	7	103.9207	0.220	19	103.8211	0.270	22	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:4:4:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CH3)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CH3)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	104.0290	0.000	1	104.0651	0.253	7	103.9207	0.220	19	103.8211	0.270	22	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:4:4:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)2(CH3)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)2(CH3)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	103.9440	0.000	1	104.1795	0.158	4	103.9207	0.220	19	103.8211	0.270	22	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:4:4:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)2(CH3)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)2(CH3)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH){2|C<3>,2|C<4>,3|H<1>}	104.2580	0.448	3	104.1795	0.158	4	103.9207	0.220	19	103.8211	0.270	22	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:4:4:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)2(CH3)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)2(CH3)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	103.9640	0.000	1	103.9640	0.000	1	103.9207	0.220	19	103.8211	0.270	22	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:4:4:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)2(CH3)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)2(CH3)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|C<3>,2|H<1>,4|C<4>}	103.7040	0.000	1	103.7040	0.000	1	103.9207	0.220	19	103.8211	0.270	22	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:4:4:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)2(CHHN)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)2(CHHN)(CH3){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,2|C<4>,4|H<1>}	103.3885	0.551	2	103.3885	0.303	2	103.9207	0.220	19	103.8211	0.270	22	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:4:4:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)2(CHHO)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)2(CHHO)(CH3){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	104.3020	0.000	1	104.3020	0.000	1	103.9207	0.220	19	103.8211	0.270	22	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:4:4:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2	C[5](C[5]C[5,6a]HH)2(CHHO)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)2(CHHO)(CH3){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|C<3>,2|H<1>,4|C<4>}	103.4650	0.000	1	103.4650	0.000	1	103.9207	0.220	19	103.8211	0.270	22	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:1:1:	4:4:4:4:	3:3:4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N-4:P-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]NP)(H)2	C[5](C[5]C[5,6a]HH)2(NH3)(PO3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]NP)(H)2{2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)2(NH3)(PO3){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<4>,1|P<4>,4|H<1>}	103.3305	0.466	2	103.3305	0.217	2	103.3305	0.217	2	103.8211	0.270	22	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:1:	3:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(OH)(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HO)(H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(OH)(H){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HO)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HO){3|C<3>,3|H<1>}	104.4990	0.000	1	104.4990	0.000	1	104.4990	0.000	1	104.4990	0.000	1	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:1:	3:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:O-2:H-1:	N[5a]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]C[5]H)(OH)(H)	C[5](N[5a]C[5a]N[5a])(C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]C[5]H)(OH)(H){1|N<2>,3|C<3>,3|H<1>}	C[5](N[5a]C[5a]N[5a])(C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|N<3>,5|H<1>}	101.5470	0.000	1	101.5470	0.000	1	101.5470	0.000	1	101.5470	0.000	1	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:1:	4:2:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(OC)(H)	C[5](C[5]C[5,6a]HO)(O[5]C[5,6a])(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(OC)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]HO)(O[5]C[5,6a])(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,4|H<1>}	102.2420	0.000	1	102.2420	0.000	1	102.2420	0.000	1	102.2420	0.000	1	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:1:	4:2:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-2:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CC)(H)	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CC)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(CC[6a]O)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<4>,2|C<3>,2|H<1>}	100.9850	0.000	1	100.9850	0.000	1	100.9850	0.000	1	100.4917	0.487	2	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:1:	4:2:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5,6a]HO)(O[5]C[5,6a])(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(OH)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]HO)(O[5]C[5,6a])(CC[6a]O)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HO){2|C<3>,3|H<1>}	99.9984	0.000	1	99.9984	0.000	1	99.9984	0.000	1	100.4917	0.487	2	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:1:	4:2:3:3:	3:3:4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:S[5]-2:C-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CC)(OH)(H)	C[5](C[5]C[5,6a]HO)(S[5]C[5,6a])(COO)2	C[5,6a](C[5,6a]N[6a]S[5])(C[6a]C[6a,6a]H)(C[5]C[5]HO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CC)(OH)(H){1|C<3>,1|H<1>,1|N<2>}	C[5](C[5]C[5,6a]HO)(S[5]C[5,6a])(COO)2{1|C<3>,1|N<2>}	C[5,6a](C[5,6a]N[6a]S[5])(C[6a]C[6a,6a]H)(C[5]C[5]HO){4|C<3>}	105.8000	1.447	2	105.8000	2.093	2	105.8000	2.093	2	105.8000	2.093	2	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:1:	4:2:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5,6a]HO)(O[5]C[5,6a])(CCCO)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(OH)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]HO)(O[5]C[5,6a])(CCCO)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	100.8480	0.000	1	101.1785	0.218	2	101.1785	0.218	2	101.1785	0.218	2	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:1:	4:2:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(OH)(H)	C[5](C[5]C[5,6a]HO)(O[5]C[5,6a])(CCCO)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(OH)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]HO)(O[5]C[5,6a])(CCCO)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,2|C<4>,2|H<1>}	101.5090	0.000	1	101.1785	0.218	2	101.1785	0.218	2	101.1785	0.218	2	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(H)2	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OC)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|O<1>,2|C<3>,3|H<1>}	104.0910	0.000	1	104.0910	0.000	1	104.1962	0.529	4	103.7964	0.621	9	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)(H){1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]C)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|Br<1>,2|C<3>,3|H<1>}	104.7425	0.077	2	104.7425	0.006	2	104.1962	0.529	4	103.7964	0.621	9	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(H)2	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|O<1>,2|H<1>,2|O<2>}	103.2090	0.000	1	103.2090	0.000	1	104.1962	0.529	4	103.7964	0.621	9	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(OC[6])(H)	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]S)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(OC[6])(H){1|H<1>,1|S<4>,2|C<3>}	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]S)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|S<4>,4|H<1>}	103.6770	0.000	1	103.6770	0.000	1	103.2407	0.310	3	103.7964	0.621	9	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(OC[6a])(H)	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]S)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(OC[6a])(H){1|H<1>,1|S<4>,2|C<3>}	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]S)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|S<4>,4|H<1>}	103.0225	0.578	2	103.0225	0.334	2	103.2407	0.310	3	103.7964	0.621	9	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:S-2:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC)(H)	C[5](C[5]C[5,6a]HS)(C[5]C[5,6a]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HS)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HS)(C[5]C[5,6a]O)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HS){1|C<3>,1|O<1>,4|H<1>}	104.6030	0.000	1	104.6030	0.000	1	104.6030	0.000	1	103.7964	0.621	9	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:S-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(SC[6a])(H)	C[5](C[5]C[5,6a]HS)(N[5]C[5,6a]S)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HS)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(SC[6a])(H){1|H<1>,1|S<4>,2|C<3>}	C[5](C[5]C[5,6a]HS)(N[5]C[5,6a]S)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HS){1|C<3>,1|S<4>,4|H<1>}	103.0580	0.000	1	103.0580	0.000	1	103.0580	0.000	1	103.7964	0.621	9	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:1:	4:3:2:1:	3:3:4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(OC)(H)	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]C)(OC)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(OC)(H){1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]C)(OC)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	103.1230	0.356	2	103.1355	0.093	4	103.1355	0.093	4	103.1355	0.093	4	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:1:	4:3:2:1:	3:3:4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(OC)(H)	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]C)(OC)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(OC)(H){1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]C)(OC)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|O<2>,2|C<3>,3|H<1>}	103.1480	0.389	2	103.1355	0.093	4	103.1355	0.093	4	103.1355	0.093	4	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:1:	4:3:2:2:	3:3:4:	C[5,6a]-3:C[5]-4:N-2:H-1:	C[5]-4:C[5]-3:C-2:C-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(NN)(H)	C[5](C[5]C[5,6a]HN)(C[5]C[5,6a]C)(CN)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(NN)(H){1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HN)(C[5]C[5,6a]C)(CN)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){2|C<2>,2|C<3>,2|H<1>}	101.3620	0.000	1	101.3620	0.000	1	101.3620	0.000	1	101.3620	0.000	1	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:1:	4:3:2:4:	3:3:4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[6a]-3:O[5]-2:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]C)(OC)(H)	C[5](C[5]C[5,6a]HO)(C[6a]C[6a]2)(O[5]C[5,6a])(CCHH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HO)	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[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[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<4>,2|C<3>,2|H<1>}	102.1280	0.000	1	102.1280	0.000	1	101.5565	0.653	2	101.5565	0.653	2	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:1:	4:3:2:4:	3:3:4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[6a]-3:O[5]-2:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]C)(OH)(H)	C[5](C[5]C[5,6a]HO)(C[6a]C[6a]2)(O[5]C[5,6a])(CH3)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HO)	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[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[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<4>,2|C<3>,2|H<1>}	100.9850	0.000	1	100.9850	0.000	1	101.5565	0.653	2	101.5565	0.653	2	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:1:	4:3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-2:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CC)(H)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]S)(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CC)(H){1|H<1>,1|S<4>,2|C<3>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]S)(CC[6a]O)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|S<4>,2|C<3>,3|H<1>}	103.3100	0.000	1	103.3100	0.000	1	103.3100	0.000	1	102.7150	0.708	2	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:1:	4:3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(OH)(H)	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]C)(COO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(OH)(H){1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]C)(COO)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|O<2>,2|H<1>,3|C<3>}	102.1200	0.000	1	102.1200	0.000	1	102.1200	0.000	1	102.7150	0.708	2	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:1:	4:3:3:3:	3:3:4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N)(OH)(H)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(C[6a]C[6a]2)(NCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	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[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(C[6a]C[6a]2)(NCH){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	103.1290	0.000	1	103.1290	0.000	1	103.1290	0.000	1	103.1290	0.000	1	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:1:	4:3:3:4:	3:3:4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(OC)(H)	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]C)(C[6a]C[6a]2)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO)	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[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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<4>,2|H<1>,3|C<3>}	104.7350	0.000	1	104.7350	0.000	1	104.0560	0.922	2	104.0560	0.922	2	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:1:	4:3:3:4:	3:3:4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(OH)(H)	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]C)(C[6a]C[6a]2)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO)	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[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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<4>,2|H<1>,3|C<3>}	103.3770	0.000	1	103.3770	0.000	1	104.0560	0.922	2	104.0560	0.922	2	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:1:	4:3:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-2:H-1:	C[5]-4:C[5]-3:S-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HS)(CN)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]H)(SC[6a]OO)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HS)(CN)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]H)(SC[6a]OO)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|S<4>,4|H<1>}	103.8360	0.000	1	103.8360	0.000	1	103.8360	0.000	1	103.5002	0.299	5	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:1:	4:3:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OSi)(H)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]C)(CCCO)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]HO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OSi)(H){1|Br<1>,1|C<2>,2|C<3>}	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]C)(CCCO)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]HO){1|C<2>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	103.3130	0.000	1	103.3130	0.000	1	103.3130	0.000	1	103.5002	0.299	5	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:1:	4:3:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(OC[6])(H)	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]S)(CH3)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(OC[6])(H){1|H<1>,1|S<4>,2|C<3>}	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]S)(CH3)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	103.6985	0.821	2	103.6985	0.674	2	103.4507	0.521	3	103.5002	0.299	5	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:1:	4:3:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(OSi)(H)	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]S)(CH3)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(OSi)(H){1|H<1>,1|S<4>,2|C<3>}	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]S)(CH3)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	102.9550	0.000	1	102.9550	0.000	1	103.4507	0.521	3	103.5002	0.299	5	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:1:	4:3:4:4:	3:3:4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(OH)(H)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(CC[6a]HH)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(OH)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(CC[6a]HH)(CH3){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	103.9410	0.000	1	103.9410	0.000	1	103.9410	0.000	1	103.9410	0.000	1	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:1:	4:4:1:1:	3:2:4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6a]-3:N[6a]-2:C[5]-4:	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,6a]HO)(C[5]N[5,6a]HH)(H)2	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]HO)	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HH)(OH)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HO)(C[5]N[5,6a]HH)(H)2{1|C<3>,1|N<2>}	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]HO){1|O<1>,2|C<3>,4|H<1>}	103.0760	0.000	1	103.0760	0.000	1	103.0760	0.000	1	103.0760	0.000	1	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC)(H)	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]CH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC)(H){1|H<1>,1|O<2>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]CH)(H)2{4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|O<2>,2|C<3>,4|H<1>}	101.9630	0.000	1	101.9630	0.000	1	101.9630	0.000	1	102.4703	1.142	12	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:N-2:H-1:	C[5]-4:C[5]-4:Br-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(NC)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(NC)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(Br)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|Br<1>,1|C<3>,5|H<1>}	100.9030	0.000	1	100.9030	0.000	1	100.9030	0.000	1	102.4703	1.142	12	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:Br-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(OC)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(OC)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(Br)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){2|Br<1>,1|C<3>,4|H<1>}	101.3990	0.000	1	101.3990	0.000	1	101.3990	0.000	1	102.4703	1.142	12	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OC[6a])(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OC[6a])(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,6|H<1>}	104.4950	0.000	1	104.4950	0.000	1	103.0801	0.389	8	102.4703	1.142	12	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HO)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)(H){2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HO)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){2|C<3>,5|H<1>}	102.4210	0.000	1	102.4210	0.000	1	103.0801	0.389	8	102.4703	1.142	12	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]HO)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]HO)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	102.6380	0.000	1	102.6380	0.000	1	103.0801	0.389	8	102.4703	1.142	12	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]HO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]HO){2|C<3>,5|H<1>}	102.9910	0.000	1	102.9910	0.000	1	103.0801	0.389	8	102.4703	1.142	12	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|N<3>,5|H<1>}	103.0240	0.157	4	103.0240	0.025	4	103.0801	0.389	8	102.4703	1.142	12	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	N[5a,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]N[5a,6a]C[5,6a])(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)2	C[5,6a](N[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a]C[5])(C[5]C[5]HO)	C[5](C[5,6a]N[5a,6a]C[5,6a])(C[5]C[5]HH)(OC)(H){1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)2{1|C<3>,1|N<3>}	C[5,6a](N[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a]C[5])(C[5]C[5]HO){1|C<3>,1|C<4>,2|N<2>,4|H<1>}	100.7380	0.000	1	100.7380	0.000	1	100.7380	0.000	1	102.4703	1.142	12	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:1:	4:4:1:1:	3:4:2:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HO)(N[6a]C[6a])	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(OC)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)2{1|C<3>,1|N<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HO)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	102.8275	0.743	14	102.9259	0.658	15	102.9259	0.658	15	102.9259	0.658	15	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:1:	4:4:1:1:	3:4:2:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(OC)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HO)(N[6a]C[6a])	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(OC)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(H)2{1|C<3>,1|N<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]HO)(N[6a]C[6a]){1|C<3>,6|H<1>}	104.3040	0.000	1	102.9259	0.658	15	102.9259	0.658	15	102.9259	0.658	15	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:1:	4:4:2:1:	3:3:4:	C[5,6a]-3:C[5]-4:N-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NC)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NC)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OC)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<3>,1|O<2>,5|H<1>}	103.9370	0.000	1	103.9370	0.000	1	103.1683	0.580	4	103.3400	0.480	6	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:1:	4:4:2:1:	3:3:4:	C[5,6a]-3:C[5]-4:N-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NC)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NC)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OH)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	103.2720	0.000	1	102.6940	0.668	2	103.1683	0.580	4	103.3400	0.480	6	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:1:	4:4:2:1:	3:3:4:	C[5,6a]-3:C[5]-4:N-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NC)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NC)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OH)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<3>,1|O<2>,5|H<1>}	102.1160	0.000	1	102.6940	0.668	2	103.1683	0.580	4	103.3400	0.480	6	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:1:	4:4:2:1:	3:3:4:	C[5,6a]-3:C[5]-4:N-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NP)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NP)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OH)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<3>,1|O<2>,5|H<1>}	103.3480	0.000	1	103.3480	0.000	1	103.1683	0.580	4	103.3400	0.480	6	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:1:	4:4:2:1:	3:3:4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(OH)(H)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]HS)(OH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(OH)(H){1|S<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]HS)(OH)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|O<2>,1|S<3>,4|H<1>}	103.2940	0.000	1	103.2940	0.000	1	103.6835	0.303	2	103.3400	0.480	6	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:1:	4:4:2:1:	3:3:4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(ON)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(ON[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(ON)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(ON[5])(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|O<2>,5|H<1>}	104.0730	0.000	1	104.0730	0.000	1	103.6835	0.303	2	103.3400	0.480	6	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:1:	4:4:2:4:	3:3:4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O[5]-2:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(OH)(H)	C[5](C[5]C[5,6a]C[5]N)(C[5]C[5,6a]HO)(O[5]C[5,6a])(CHHO)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(OH)(H){1|H<1>,1|N<3>,4|C<3>}	C[5](C[5]C[5,6a]C[5]N)(C[5]C[5,6a]HO)(O[5]C[5,6a])(CHHO){1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,2|C<4>,2|H<1>}	100.2960	0.000	1	100.2960	0.000	1	100.2960	0.000	1	100.2960	0.000	1	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:1:	4:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:N-2:H-1:	C[6]-4:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5]H)(NC)(H)	C[5](C[6]C[5,6]C[6]H)(C[5]C[5,6a]HN)(N[5]C[5,6a]S)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5]H)(NC)(H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[6]C[5,6]C[6]H)(C[5]C[5,6a]HN)(N[5]C[5,6a]S)(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	104.9690	0.000	1	104.9690	0.000	1	104.9690	0.000	1	103.4647	0.946	10	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:1:	4:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(OH)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]HO)(CC[6a]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(OH)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]HO)(CC[6a]O)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<4>,3|C<3>,3|H<1>}	102.8410	0.000	1	102.8410	0.000	1	102.8410	0.000	1	103.4647	0.946	10	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:1:	4:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OH)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HO)(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OH)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HO)(CC[6a]O)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<4>,2|C<3>,4|H<1>}	103.0430	0.000	1	103.0430	0.000	1	102.5600	0.570	3	103.4647	0.946	10	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:1:	4:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OH)(H)	C[5](C[5]C[5,6a]HN)(C[5]C[5,6a]HO)(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OH)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HN)(C[5]C[5,6a]HO)(CC[6a]O)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|N<3>,2|C<3>,4|H<1>}	102.3185	0.889	2	102.3185	0.790	2	102.5600	0.570	3	103.4647	0.946	10	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:1:	4:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:S-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HS)(OH)(H)	C[5](C[5]C[5,6a]HO)2(SC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HS)(OH)(H){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HO)2(SC[6a]O)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|O<2>,1|S<3>,4|H<1>}	103.1540	0.069	2	103.1540	0.005	2	103.1540	0.005	2	103.4647	0.946	10	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:1:	4:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:S-2:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a])(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HS)(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HS)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a])(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HS)(CC[6a]O)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HS){1|C<4>,2|C<3>,4|H<1>}	104.2830	0.170	3	104.2830	0.029	3	104.2830	0.029	3	103.4647	0.946	10	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:1:	4:4:3:4:	3:3:4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)(OH)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(C[5]C[5]2)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)(OH)(H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(C[5]C[5]2)(CC[6a]HH){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<4>,2|C<3>,4|H<1>}	103.2370	0.000	1	103.2370	0.000	1	103.2370	0.000	1	103.2370	0.000	1	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:1:	4:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OC)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HO)(CH3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OC)(H){2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HO)(CH3)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<4>,2|C<3>,4|H<1>}	102.8990	0.000	1	102.8990	0.000	1	103.0629	0.104	7	103.0725	0.474	10	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:1:	4:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OC)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CH3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OC)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CH3)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|B<3>,1|C<3>,1|C<4>,4|H<1>}	103.7420	0.000	1	103.7420	0.000	1	103.0629	0.104	7	103.0725	0.474	10	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:1:	4:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OC[6a])(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CCHN)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OC[6a])(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CCHN)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|C<4>,5|H<1>}	102.8660	0.004	2	102.8660	0.000	2	103.0629	0.104	7	103.0725	0.474	10	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:1:	4:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OH)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HO)(CH3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OH)(H){2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HO)(CH3)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<4>,2|C<3>,4|H<1>}	102.8780	0.000	1	102.8780	0.000	1	103.0629	0.104	7	103.0725	0.474	10	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:1:	4:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OH)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CCHH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OH)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CCHH)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|C<4>,5|H<1>}	103.0945	0.148	2	103.0945	0.022	2	103.0629	0.104	7	103.0725	0.474	10	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:1:	4:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C[5]-4:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(OH)(H)	C[5](C[5]C[5,6a]C[5]O)(C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(F)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(OH)(H){1|O<2>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5]O)(C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(F){1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|C<4>,1|F<1>,4|H<1>}	101.6040	0.000	1	101.6040	0.000	1	101.6040	0.000	1	103.0725	0.474	10	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:1:	4:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HO)(C[5]C[5]2H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(OH)(H){1|C<4>,3|H<1>,4|C<3>}	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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<4>,2|C<3>,4|H<1>}	103.8405	0.551	2	103.8405	0.303	2	103.8405	0.303	2	103.0725	0.474	10	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:1:	4:4:4:2:	3:3:4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(OC)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CC[6]CH)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(OC)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CC[6]CH)(OH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	103.4810	0.000	1	103.4810	0.000	1	103.7440	0.138	2	103.7440	0.138	2	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:1:	4:4:4:2:	3:3:4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(OC)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CC[6a]CH)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(OC)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CC[6a]CH)(OH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	104.0070	0.000	1	104.0070	0.000	1	103.7440	0.138	2	103.7440	0.138	2	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:1:	4:4:4:4:	3:3:4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(OC)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CH3)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(OC)(H){2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CH3)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HO){2|C<4>,3|C<3>,4|H<1>}	103.9680	0.000	1	103.9680	0.000	1	104.4563	1.978	10	104.4563	1.978	10	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:1:	4:4:4:4:	3:3:4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(OC)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CH3)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(OC)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CH3)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	105.4060	0.776	6	105.4060	0.602	6	104.4563	1.978	10	104.4563	1.978	10	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:1:	4:4:4:4:	3:3:4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(OH)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CCHH)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(OH)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CCHH)(CH3){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,2|C<4>,4|H<1>}	102.7190	0.000	1	102.7190	0.000	1	104.4563	1.978	10	104.4563	1.978	10	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:1:	4:4:4:4:	3:3:4:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(OH)(H)	C[5](C[5]C[5,6a]HO)2(CC[6a]2H)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(OH)(H){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HO)2(CC[6a]2H)(CH3){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	102.7200	0.310	2	102.7200	0.096	2	104.4563	1.978	10	104.4563	1.978	10	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:2:2:	4:3:3:2:	3:3:4:	C[5,6a]-3:C[5]-4:O-2:O-2:	C[5]-4:C[5]-3:C-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(OC)2	C[5](C[5]C[5,6a]OO)(C[5]C[5,6a]O)(COO)(OH)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6,6a]H)(C[5]C[5]OO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(OC)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]OO)(C[5]C[5,6a]O)(COO)(OH){2|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6,6a]H)(C[5]C[5]OO){1|N<3>,1|O<1>,1|O<2>,3|C<3>}	101.9810	0.000	1	101.9810	0.000	1	101.9810	0.000	1	101.9810	0.000	1	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	3:4:2:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[5]-4: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[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	102.6520	0.000	1	102.6520	0.000	1	102.6520	0.000	1	102.6520	0.000	1	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	3:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5,6]-3:C[5]-4:C-3:H-1:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]CH)(COO)(H)	C[5](C[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]CH)(COO)(H)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]CH)(COO)(H){1|H<1>,3|C<3>}	C[5](C[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]CH)(COO)(H){1|C<2>,1|H<1>,2|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]C[5]CH){2|H<1>,4|C<3>}	104.0860	0.000	1	104.0860	0.000	1	104.0860	0.000	1	102.2338	1.203	5	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	3:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-3:H-1:	N[5]-3:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CCH)(H)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CCH)(H){1|H<1>,5|C<3>}	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){3|C<3>,3|H<1>}	101.6480	0.000	1	101.6480	0.000	1	101.6480	0.000	1	102.2338	1.203	5	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	3:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5]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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H){1|N<3>,3|H<1>,6|C<3>}	102.1570	0.000	1	101.8117	0.251	3	101.8117	0.251	3	102.2338	1.203	5	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	3:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5]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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H){1|N<3>,3|H<1>,6|C<3>}	102.0410	0.000	1	101.8117	0.251	3	101.8117	0.251	3	102.2338	1.203	5	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	3:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5]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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]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|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[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H){1|N<3>,3|H<1>,6|C<3>}	101.2370	0.000	1	101.8117	0.251	3	101.8117	0.251	3	102.2338	1.203	5	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:2:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CCH)(H)	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CCH)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(CC[6a]O)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]CH){1|O<2>,2|C<3>,2|H<1>}	100.5020	0.000	1	100.5020	0.000	1	100.5020	0.000	1	100.5164	0.472	9	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:2:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:N-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]HN)(CCH)(H)	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(NOO)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]CH)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]HN)(CCH)(H){3|C<3>}	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(NOO)(H){2|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]CH){1|N<3>,3|C<3>,3|H<1>}	98.8032	0.000	1	98.8032	0.000	1	98.8032	0.000	1	100.5164	0.472	9	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:2:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(NHP)(H)	C[5](C[5]C[5,6a]HN)(O[5]C[5,6a])(CCC)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(NHP)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]HN)(O[5]C[5,6a])(CCC)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|Br<1>,2|C<3>,2|H<1>}	101.1910	0.000	1	101.1910	0.000	1	100.7631	0.070	7	100.5164	0.472	9	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:2:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(NHP)(H)	C[5](C[5]C[5,6a]HN)(O[5]C[5,6a])(CCH)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(NHP)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]HN)(O[5]C[5,6a])(CCH)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|Br<1>,2|C<3>,2|H<1>}	100.8585	0.053	2	100.7993	0.012	3	100.7631	0.070	7	100.5164	0.472	9	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:2:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(NHP)(H)	C[5](C[5]C[5,6a]HN)(O[5]C[5,6a])(CCH)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(NHP)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]HN)(O[5]C[5,6a])(CCH)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<4>,2|C<3>,2|H<1>}	100.6810	0.000	1	100.7993	0.012	3	100.7631	0.070	7	100.5164	0.472	9	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:2:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(NHP)(H)	C[5](C[5]C[5,6a]HN)(O[5]C[5,6a])(COO)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(NHP)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]HN)(O[5]C[5,6a])(COO)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|Br<1>,2|C<3>,2|H<1>}	100.5250	0.000	1	100.5250	0.000	1	100.7631	0.070	7	100.5164	0.472	9	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:2:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(NHS)(H)	C[5](C[5]C[5,6a]HN)(O[5]C[5,6a])(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(NHS)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]HN)(O[5]C[5,6a])(CC[6a]O)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HN){2|C<3>,3|H<1>}	100.3840	0.000	1	100.6140	0.106	2	100.7631	0.070	7	100.5164	0.472	9	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:2:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(NHS)(H)	C[5](C[5]C[5,6a]HN)(O[5]C[5,6a])(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(NHS)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]HN)(O[5]C[5,6a])(CC[6a]O)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HN){2|Cl<1>,1|H<1>,2|C<3>}	100.8440	0.000	1	100.6140	0.106	2	100.7631	0.070	7	100.5164	0.472	9	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:2:3:3:	3:3:4:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5]-4:O[5]-2:C-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(NC[6a]H)(H)	C[5](C[5]C[5,6a]HN)(O[5]C[5,6a])(CCO)(COO)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(NC[6a]H)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]HN)(O[5]C[5,6a])(CCO)(COO){2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HN){2|H<1>,3|C<3>}	100.4050	0.000	1	100.4050	0.000	1	100.4050	0.000	1	100.4050	0.000	1	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:2:4:4:	3:3:4:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CCH)(H)	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(CHHO)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CCH)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(CHHO)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]CH){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	100.0840	0.068	2	100.0840	0.005	2	100.0840	0.005	2	100.0840	0.005	2	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(COO)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(COO)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|O<1>,4|H<1>}	104.1350	0.091	2	104.1350	0.008	2	104.1350	0.008	2	103.4612	0.776	5	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(C[5]C[5]2)(H)	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(C[5]C[5]2)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(H)2{1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){2|C<3>,2|C<4>,4|H<1>}	102.9020	0.000	1	102.9020	0.000	1	102.9020	0.000	1	103.4612	0.776	5	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NC[5]C)(H)	C[5](C[5]C[5,6a]HN)(C[5]C[5,6a]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NC[5]C)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]HN)(C[5]C[5,6a]O)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<3>,1|O<1>,4|H<1>}	103.9510	0.000	1	103.9510	0.000	1	103.9510	0.000	1	103.4612	0.776	5	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(NC[6a]H)(H)	C[5](C[5]C[5,6a]HN)(N[5]C[5,6a]S)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(NC[6a]H)(H){1|H<1>,1|S<4>,2|C<3>}	C[5](C[5]C[5,6a]HN)(N[5]C[5,6a]S)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<3>,1|S<4>,4|H<1>}	102.1830	0.000	1	102.1830	0.000	1	102.1830	0.000	1	103.4612	0.776	5	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:3:2:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]2)(C[5]C[6a]O[5]H)(CNO)(H)	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]O[5])(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]2)(C[5]C[6a]O[5]H)(CNO)(H){5|C<3>}	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[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]O[5])(C[5]C[5]CH){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	102.1490	0.000	1	102.1490	0.000	1	102.1490	0.000	1	101.2398	1.484	7	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:3:2:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(COO)(H)	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(COO)(H){1|H<1>,4|C<3>}	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[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|Br<1>,2|C<3>,2|H<1>}	101.3200	0.810	2	101.0883	1.588	6	101.0883	1.588	6	101.2398	1.484	7	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:3:2:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(COO)(H)	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(COO)(H){1|H<1>,4|C<3>}	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[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<4>,2|C<3>,2|H<1>}	98.8718	0.000	1	101.0883	1.588	6	101.0883	1.588	6	101.2398	1.484	7	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:3:2:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(COO)(H)	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(COO)(H){1|H<1>,4|C<3>}	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[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|H<1>,1|O<2>,3|C<3>}	102.2680	0.000	1	101.0883	1.588	6	101.0883	1.588	6	101.2398	1.484	7	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:3:2:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(COO)(H)	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(COO)(H){1|H<1>,4|C<3>}	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[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|O<2>,2|C<3>,2|H<1>}	101.3750	0.841	2	101.0883	1.588	6	101.0883	1.588	6	101.2398	1.484	7	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:3:2:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,6a]-3:C[5]-4: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[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C)	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[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C){3|H<1>,4|C<3>}	101.5885	0.333	4	101.5885	0.111	4	101.1980	0.845	5	101.1980	0.845	5	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:3:2:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,6a]-3:C[5]-4: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[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(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){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[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){3|H<1>,4|C<3>}	99.6361	0.000	1	99.6361	0.000	1	101.1980	0.845	5	101.1980	0.845	5	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:3:2:2:	3:3:4:	C[5,6a]-3:C[5]-4:C-3:O-1:	C[5]-4:C[5]-3:O-2:O-2:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]OO)(COO)(O)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(OC)2	C[5,6a](C[6a,6a]C[6,6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]CO)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]OO)(COO)(O){1|O<1>,3|C<3>}	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(OC)2{2|C<3>}	C[5,6a](C[6a,6a]C[6,6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]CO){1|H<1>,1|O<1>,3|C<3>,3|O<2>}	104.3300	0.000	1	104.3300	0.000	1	104.3300	0.000	1	104.3300	0.000	1	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:3:2:3:	3:3:4:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5]-4:C[6a]-3:O[5]-2:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]C)(NHP)(H)	C[5](C[5]C[5,6a]HN)(C[6a]C[6a]2)(O[5]C[5,6a])(CCC)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HN)	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[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[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|Br<1>,1|H<1>,3|C<3>}	98.9806	0.000	1	98.9806	0.000	1	98.9806	0.000	1	98.9806	0.000	1	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:3:2:4:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[5a]-3:O[5]-2:C-4:	C[5,6a]-3:C[5]-4: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[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]O[6a]O)	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[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]O[6a]O){1|C<4>,5|C<3>}	100.7590	0.000	1	100.7590	0.000	1	100.7590	0.000	1	100.7590	0.000	1	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:N-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(CCH)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(NHS)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(CCH)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(NHS)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	102.2380	0.000	1	102.2380	0.000	1	102.2380	0.000	1	102.6055	1.036	10	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:B[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]N[5]H)(COO)(H)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(B[5]O[5]2)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]N[5]H)(COO)(H){1|H<1>,2|O<2>,3|C<3>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(B[5]O[5]2)(H){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|B<3>,2|C<3>,3|H<1>}	103.8260	0.000	1	103.8260	0.000	1	103.8260	0.000	1	102.6055	1.036	10	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CCH)(H)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CCH)(H){1|H<1>,5|C<3>}	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){3|C<3>,3|H<1>}	102.3670	0.000	1	102.3670	0.000	1	102.7101	0.851	7	102.6055	1.036	10	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CC[6a]O)(H)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CC[6a]O)(H){1|C<4>,1|H<1>,4|C<3>}	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	103.1260	0.000	1	102.5417	1.425	4	102.7101	0.851	7	102.6055	1.036	10	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CC[6a]O)(H)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CC[6a]O)(H){1|C<4>,1|H<1>,4|C<3>}	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<4>,2|C<3>,3|H<1>}	101.5495	0.050	2	102.5417	1.425	4	102.7101	0.851	7	102.6055	1.036	10	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CC[6a]O)(H)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CC[6a]O)(H){1|H<1>,5|C<3>}	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){3|C<3>,3|H<1>}	103.9420	0.000	1	102.5417	1.425	4	102.7101	0.851	7	102.6055	1.036	10	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(COO)(H)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(COO)(H){1|H<1>,5|C<3>}	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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){3|C<3>,3|H<1>}	103.2185	0.293	2	103.2185	0.086	2	102.7101	0.851	7	102.6055	1.036	10	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]2)(H)	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	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[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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){2|C<4>,3|C<3>,3|H<1>}	101.0200	0.000	1	101.0200	0.000	1	101.0200	0.000	1	102.6055	1.036	10	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-3:C-3:Cl-1:	C[5,6a]-3:C[5]-4: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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|H<1>,4|C<3>}	103.4930	0.000	1	103.4930	0.000	1	103.4930	0.000	1	103.0030	0.612	3	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4: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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|O<1>,3|H<1>,4|C<3>}	102.1010	0.000	1	102.7580	0.863	2	102.7580	0.863	2	103.0030	0.612	3	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4: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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	103.4150	0.000	1	102.7580	0.863	2	102.7580	0.863	2	103.0030	0.612	3	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:3:3:2:	3:3:4:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2O[5])(NCH)(H)	C[5](C[5]C[5,6a]HN)(C[6a]C[6a]2)2(O[5]C[5,6a])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(C[5]C[5]HN)	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[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[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(C[5]C[5]HN){2|H<1>,3|C<3>}	97.8648	0.827	2	97.8648	0.684	2	97.8648	0.684	2	97.8648	0.684	2	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:3:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CC[6a]O)(H)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(CF3)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CC[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(CF3)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,2|C<4>,3|H<1>}	102.8910	0.000	1	102.8910	0.000	1	103.5200	0.791	2	103.6251	0.870	8	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:3:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(COO)(H)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(CC[6a]2O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(COO)(H){1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(CC[6a]2O)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<4>,2|C<3>,3|H<1>}	104.1490	0.000	1	104.1490	0.000	1	103.5200	0.791	2	103.6251	0.870	8	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:3:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(COO)(H)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(C[5]C[5]2O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(COO)(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(C[5]C[5]2O)(H){2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,2|C<4>,3|H<1>}	103.5295	0.863	2	103.5295	0.745	2	103.5295	0.745	2	103.6251	0.870	8	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:3:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:Si-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]SiH)(CCO)(H)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(SiC[6a]CC)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]SiH)(CCO)(H){1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(SiC[6a]CC)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|Br<1>,1|Si<4>,2|C<3>,2|H<1>}	103.0880	0.000	1	103.0880	0.000	1	103.0880	0.000	1	103.6251	0.870	8	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:3:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(NCH)(H)	C[5](C[5]C[5,6a]HN)(N[5]C[5,6a]C)(CF3)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(NCH)(H){1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HN)(N[5]C[5,6a]C)(CF3)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<4>,2|C<3>,3|H<1>}	102.5670	0.000	1	102.5670	0.000	1	103.2225	0.859	2	103.6251	0.870	8	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:3:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(NOO)(H)	C[5](C[5]C[5,6a]HN)(N[5]C[5,6a]S)(CCHH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(C[5]C[5]HN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(NOO)(H){1|Br<1>,1|S<4>,2|C<3>}	C[5](C[5]C[5,6a]HN)(N[5]C[5,6a]S)(CCHH)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(C[5]C[5]HN){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	103.8780	0.000	1	103.8780	0.000	1	103.2225	0.859	2	103.6251	0.870	8	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:3:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5]-4:N[5]-3:C[6]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5]H)(NOO)(H)	C[5](C[5]C[5,6a]HN)(N[5]C[5,6a]S)(C[6]C[6]2H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5]H)(NOO)(H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HN)(N[5]C[5,6a]S)(C[6]C[6]2H)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	105.3690	0.000	1	105.3690	0.000	1	105.3690	0.000	1	103.6251	0.870	8	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:3:4:1:	3:4:3:	C[5,6a]-3:C[5]-4:B[5]-3:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(B[5]O[5]2)(H)	C[5](C[5]C[5,6a]B[5]H)(N[5]C[5,6a]S)(CH3)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]B[5]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(B[5]O[5]2)(H){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6a]B[5]H)(N[5]C[5,6a]S)(CH3)(H){2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]B[5]C[5]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|F<1>,1|S<4>,2|H<1>,2|O<2>}	103.4900	0.000	1	103.4900	0.000	1	103.4900	0.000	1	103.4900	0.000	1	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(CC[6a]H)(H)	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]CH)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(CC[6a]H)(H){1|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]CH)(H)2{1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[5]C[5]CH){1|O<2>,3|C<3>,3|H<1>}	101.6590	0.000	1	101.6590	0.000	1	101.6590	0.000	1	102.3147	1.392	17	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]O)(H)	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]CH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]O)(H){1|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]CH)(H)2{6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){3|C<3>,4|H<1>}	101.9990	0.000	1	101.9990	0.000	1	101.9945	0.000	2	102.3147	1.392	17	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(COO)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HO)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(COO)(H){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HO)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|O<2>,5|H<1>}	101.9900	0.000	1	101.9900	0.000	1	101.9945	0.000	2	102.3147	1.392	17	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]C[5]2)(H)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]C[5]2)(H){4|C<3>,6|H<1>}	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H)2{1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,2|C<3>,6|H<1>}	102.4080	0.000	1	102.4080	0.000	1	102.4080	0.000	1	102.3147	1.392	17	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6a]-3:C[6,6a]-3:C[5]-4:	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[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6,6a]C[6,6a]C[6])(C[5]C[6a]C[5]H)	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[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6,6a]C[6,6a]C[6])(C[5]C[6a]C[5]H){2|H<1>,3|C<3>,7|C<4>}	103.0160	0.000	1	103.0160	0.000	1	103.0160	0.000	1	102.3147	1.392	17	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]FH)(NSS)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(F)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]FH)(NSS)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(F)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<3>,1|F<1>,5|H<1>}	104.7990	0.000	1	104.7990	0.000	1	104.7990	0.000	1	102.3147	1.392	17	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NCS)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]C[5]HN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NCS)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]C[5]HN){1|C<3>,6|H<1>}	103.2380	0.000	1	103.2380	0.000	1	102.4789	0.180	8	102.3147	1.392	17	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NC[6]H)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NC[6]H)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<3>,6|H<1>}	102.2683	0.396	3	102.2683	0.157	3	102.4789	0.180	8	102.3147	1.392	17	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NHH)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NHH)(H){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HN){1|C<3>,2|C<4>,4|H<1>}	102.1830	0.000	1	102.1830	0.000	1	102.4789	0.180	8	102.3147	1.392	17	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NHS)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NHS)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<3>,6|H<1>}	102.6820	0.000	1	102.6820	0.000	1	102.4789	0.180	8	102.3147	1.392	17	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NHS)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)2	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NHS)(H){1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)2{1|C<3>,1|N<2>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HN){1|C<3>,1|O<2>,4|H<1>}	102.4615	0.333	2	102.4615	0.111	2	102.4789	0.180	8	102.3147	1.392	17	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:H-1:I-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HI)(NHS)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)(I)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HI)(NHS)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)(I){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<3>,1|I<1>,5|H<1>}	98.9056	0.000	1	98.9056	0.000	1	98.9056	0.000	1	102.3147	1.392	17	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:P-3:H-1:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]HH)(PC[6a]2)(H)	C[5](C[3,5]C[5,6a]B[3,3]2)(C[5]C[5,6a]HP)(H)2	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HP)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]HH)(PC[6a]2)(H){1|H<1>,2|B<5>,2|C<3>}	C[5](C[3,5]C[5,6a]B[3,3]2)(C[5]C[5,6a]HP)(H)2{1|H<2>,6|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HP){1|C<3>,2|B<5>,4|H<1>}	101.4060	0.000	1	101.4060	0.000	1	101.4060	0.000	1	102.3147	1.392	17	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:P-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(PCrC)(H)	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HP)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HP)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(PCrC)(H){2|C<3>,3|C<4>}	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HP)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HP){1|C<3>,2|C<4>,4|H<1>}	103.3370	0.000	1	103.3370	0.000	1	103.3370	0.000	1	102.3147	1.392	17	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:B[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(B[5]O[5]2)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]B[5]H)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]B[5]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(B[5]O[5]2)(H){2|C<4>,2|H<1>,3|C<3>}	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[5,6a](C[5,6a]C[6a]C[5])(C[5]B[5]C[5]H)(C[6a]C[6a]H){2|C<3>,2|O<2>,5|H<1>}	102.1465	0.247	2	102.1465	0.061	2	102.1465	0.061	2	102.1749	0.710	7	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6,6a]-3:C[5]-4: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[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5]C[6a]C[5]H)(C[6a]C[6a]O)	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[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5]C[6a]C[5]H)(C[6a]C[6a]O){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	100.9430	0.000	1	100.9430	0.000	1	100.9430	0.000	1	102.1749	0.710	7	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4: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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	101.5770	0.000	1	101.5770	0.000	1	101.5770	0.000	1	102.1749	0.710	7	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-4:Br-1:H-1:	C[5,6a]-3:C[5]-4: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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C)	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C){1|Br<1>,2|H<1>,3|C<3>,3|C<4>}	102.5360	0.000	1	102.5360	0.000	1	102.5360	0.000	1	102.1749	0.710	7	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(N[5]C[5]2)(H)	C[5](C[5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(N[5]C[5]2)(H){1|N<3>,3|C<3>,5|H<1>}	C[5](C[5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(H)2{4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H){3|C<3>,6|H<1>}	103.6540	0.000	1	103.6540	0.000	1	103.6540	0.000	1	102.1749	0.710	7	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:N[6]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(N[6]C[6]2)(H)	C[5](C[5]C[5,6a]N[6]H)(C[5]C[5,6a]CO)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[6]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(N[6]C[6]2)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[5](C[5]C[5,6a]N[6]H)(C[5]C[5,6a]CO)(H)2{2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[6]H)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	102.2210	0.000	1	102.2210	0.000	1	102.2210	0.000	1	102.1749	0.710	7	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:4:2:1:	3:3:4:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NCH)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NCH)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OC)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<3>,1|O<2>,5|H<1>}	104.1660	0.000	1	104.1660	0.000	1	102.6588	0.701	10	102.7715	0.771	11	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:4:2:1:	3:3:4:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NCH)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NCH)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OH)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<3>,1|O<2>,5|H<1>}	102.5212	0.810	6	102.5212	0.656	6	102.6588	0.701	10	102.7715	0.771	11	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:4:2:1:	3:3:4:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NCP)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NCP)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OC)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<3>,1|O<2>,5|H<1>}	102.1730	0.000	1	102.1730	0.000	1	102.6588	0.701	10	102.7715	0.771	11	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:4:2:1:	3:3:4:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NHP)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(NHP)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OH)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<3>,1|O<2>,5|H<1>}	102.5610	0.624	2	102.5610	0.389	2	102.6588	0.701	10	102.7715	0.771	11	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:4:2:1:	3:3:4:	C[5,6a]-3:C[5]-4:S-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(SC[6a]O)(H)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]HS)(OH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HS)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(SC[6a]O)(H){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]HS)(OH)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HS){1|C<3>,2|O<2>,4|H<1>}	103.8990	0.000	1	103.8990	0.000	1	103.8990	0.000	1	102.7715	0.771	11	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:4:2:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[3,5]-4:C[5]-4:O-2:H-1:	C[5,6a]-3:C[5]-4: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[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[6a]C[5]H)(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[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	102.5350	0.911	2	102.5350	0.829	2	102.5350	0.829	2	102.6167	0.290	4	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:4:2:1:	3:4:3:	C[5,6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(N[5]C[5]2)(H)	C[5](C[5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(OH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(N[5]C[5]2)(H){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[5](C[5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(OH)(H){1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	102.6985	0.114	2	102.6985	0.013	2	102.6985	0.013	2	102.6167	0.290	4	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(CCH)(H)	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]CH)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CH)	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[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[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CH){1|N<3>,3|C<3>,3|H<1>}	101.2290	0.000	1	101.2290	0.000	1	101.2290	0.000	1	102.2173	0.302	6	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CC[6a]O)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	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[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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){2|H<1>,2|O<2>,3|C<3>}	102.7640	0.000	1	102.7640	0.000	1	102.7640	0.000	1	102.2173	0.302	6	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(NHS)(H)	C[5](C[5]C[5,6a]HN)(C[5]C[5,6a]HO)(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(NHS)(H){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HN)(C[5]C[5,6a]HO)(CC[6a]O)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|O<2>,2|C<3>,4|H<1>}	102.4565	0.194	2	102.4565	0.038	2	102.4565	0.038	2	102.2173	0.302	6	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(NCH)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	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[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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){2|C<3>,5|H<1>}	102.1990	0.281	2	102.1990	0.079	2	102.1990	0.079	2	102.2173	0.302	6	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:4:3:1:	3:4:3:	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[5,6a]-3:C[5]-4: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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	103.3550	0.000	1	103.5003	0.021	3	103.5003	0.021	3	102.1700	1.225	10	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:4:3:1:	3:4:3:	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[5,6a]-3:C[5]-4: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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	103.5730	0.098	2	103.5003	0.021	3	103.5003	0.021	3	102.1700	1.225	10	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:4:3:1:	3:4:3:	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[5,6,6a]-3:C[5]-4: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[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5]C[6a]C[5]H)(C[6a]C[6a]C)	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[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5]C[6a]C[5]H)(C[6a]C[6a]C){2|C<4>,2|H<1>,5|C<3>}	101.5330	0.000	1	101.5330	0.000	1	101.5330	0.000	1	102.1700	1.225	10	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4: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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	102.1430	0.000	1	102.2447	0.461	3	101.6110	0.679	6	102.1700	1.225	10	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4: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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	102.2955	0.952	2	102.2447	0.461	3	101.6110	0.679	6	102.1700	1.225	10	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4: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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]O)	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]O){4|H<1>,5|C<3>}	100.8410	0.000	1	100.8410	0.000	1	101.6110	0.679	6	102.1700	1.225	10	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4: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[5,6a](C[5,6a]C[6a,6a]C[5])(C[5]C[6a]C[5]H)(C[6a]O[6a]O)	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[5,6a](C[5,6a]C[6a,6a]C[5])(C[5]C[6a]C[5]H)(C[6a]O[6a]O){3|H<1>,5|C<3>}	101.0455	0.182	2	101.0455	0.033	2	101.6110	0.679	6	102.1700	1.225	10	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:4:3:3:	3:3:4:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(NCC)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(COO)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(NCC)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(COO)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){3|C<3>,4|H<1>}	101.2780	0.877	2	101.2780	0.769	2	101.2780	0.769	2	101.2780	0.769	2	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCH)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CC[6a]HO)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCH)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CC[6a]HO)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	102.4330	0.000	1	102.4330	0.000	1	102.8204	0.999	5	102.6015	1.312	8	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCH)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HO)(CH3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCH)(H){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HO)(CH3)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	101.9420	0.041	2	101.9420	0.002	2	102.8204	0.999	5	102.6015	1.312	8	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(COO)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CH3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]I)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(COO)(H){1|I<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CH3)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]I)(C[5]C[5]CH){1|C<3>,1|C<4>,5|H<1>}	103.8925	0.059	2	103.8925	0.003	2	102.8204	0.999	5	102.6015	1.312	8	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(NHS)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(CH3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(NHS)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(CH3)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<3>,1|C<4>,5|H<1>}	103.1610	0.000	1	103.1610	0.000	1	103.1610	0.000	1	102.6015	1.312	8	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:O-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(ONi2)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CNiHH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(ONi2)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CNiHH)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|C<4>,5|H<1>}	100.4960	0.000	1	100.4960	0.000	1	101.7745	3.269	2	102.6015	1.312	8	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:O-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(ONiSi)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CNiHH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(ONiSi)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CNiHH)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|C<4>,5|H<1>}	103.0530	0.000	1	103.0530	0.000	1	101.7745	3.269	2	102.6015	1.312	8	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:1:	4:4:4:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-4:Si-4:H-1:	C[5,6a]-3:C[5]-4: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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]Cl)	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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]Cl){1|Si<4>,2|Cl<1>,1|C<4>,2|H<1>,3|C<3>}	101.4910	0.000	1	101.4910	0.000	1	101.4910	0.000	1	101.4910	0.000	1	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:2:	3:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:C-2:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5]-4: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[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[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[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){4|C<3>,4|H<1>}	100.1920	0.000	1	100.1920	0.000	1	100.1920	0.000	1	100.1920	0.000	1	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:2:	3:4:3:2:	3:4:3:	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[5,6a,6a]-3:C[5]-4: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[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5]O)(C[6a]C[6a]O)	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[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5]O)(C[6a]C[6a]O){1|H<1>,1|O<2>,6|C<3>}	101.9220	0.119	2	101.9220	0.014	2	102.0757	0.084	4	102.0757	0.084	4	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:2:	3:4:3:2:	3:4:3:	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[5,6a,6a]-3:C[5]-4: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[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5]O)(C[6a]C[6a]O)	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[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5]O)(C[6a]C[6a]O){1|H<1>,1|O<2>,6|C<3>}	102.4960	0.000	1	102.4960	0.000	1	102.0757	0.084	4	102.0757	0.084	4	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:2:	3:4:3:2:	3:4:3:	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[5,6a,6a]-3:C[5]-4: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[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5]O)(C[6a]C[6a]O)	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[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5]O)(C[6a]C[6a]O){1|H<1>,1|O<2>,6|C<3>}	101.9630	0.000	1	101.9630	0.000	1	102.0757	0.084	4	102.0757	0.084	4	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:2:	4:2:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-3:O-2:	C[5]-4:O[5]-2:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(COO)(OH)	C[5](C[5]C[5,6a]CO)(O[5]C[5,6a])(CCC)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(COO)(OH){1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CO)(O[5]C[5,6a])(CCC)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CO){2|C<3>,3|H<1>}	100.4760	0.000	1	100.4760	0.000	1	100.4760	0.000	1	103.6820	20.557	2	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:2:	4:2:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-3:O-2:	C[5]-4:S[5]-2:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CH)(CNO)(OH)	C[5](C[5]C[5,6a]CO)(S[5]C[5,6a])(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CH)(CNO)(OH){1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CO)(S[5]C[5,6a])(CC[6a]O)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<4>,2|C<3>,2|H<1>}	106.8880	0.000	1	106.8880	0.000	1	106.8880	0.000	1	103.6820	20.557	2	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:2:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-3:O-2:	C[5]-4:C[5]-3:H-1:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(COO)(OC)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(H)2	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]O[6a]C[5])(C[5]C[5]CO)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(COO)(OC){1|O<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(H)2{1|C<3>,1|O<2>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]O[6a]C[5])(C[5]C[5]CO){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	104.4420	0.000	1	104.4420	0.000	1	104.4420	0.000	1	104.4420	0.000	1	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:2:	4:3:2:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-3:C-2:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(COO)(CN)	C[5](C[5]C[5,6a]CC)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	C[5,6a](C[5,6a]N[6a]O[5])(C[6a]N[6a]O)(C[5]C[5]CC)	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[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[5,6a](C[5,6a]N[6a]O[5])(C[6a]N[6a]O)(C[5]C[5]CC){1|H<1>,2|C<3>,2|C<4>}	99.5383	0.000	1	99.5383	0.000	1	99.5383	0.000	1	99.5383	0.000	1	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:2:	4:3:2:2:	3:3:4:	C[5,6a]-3:C[5]-4:C-3:O-2:	C[5]-4:C[5]-3:O-2:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]OO)(COO)(OH)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(OC)2	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6,6a]H)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]OO)(COO)(OH){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(OC)2{2|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6,6a]H)(C[5]C[5]CO){1|N<3>,1|O<1>,2|C<3>,2|O<2>}	102.0555	0.349	2	102.0555	0.122	2	102.0555	0.122	2	102.0555	0.122	2	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:2:	4:3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-3:O-2:	C[5]-4:N[5]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(COO)(OH)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(CCC)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(COO)(OH){1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(CCC)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|F<1>,2|H<1>,3|C<3>}	102.1720	0.000	1	102.1720	0.000	1	102.1720	0.000	1	102.1720	0.000	1	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:2:	4:3:3:1:	3:4:2:	C[5,6a]-3:C[5]-4:C[6a]-3:C-2:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:N[6a]-2:	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[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(N[6a]C[6a])	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[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(N[6a]C[6a]){4|C<3>,4|H<1>}	98.2352	0.249	2	98.2352	0.062	2	98.2352	0.062	2	98.2352	0.062	2	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:2:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:C-2:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4: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[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]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[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){4|C<3>,4|H<1>}	99.5194	0.152	2	99.5194	0.023	2	99.5194	0.023	2	99.5194	0.023	2	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:2:	4:3:3:3:	3:3:4:	C[5,6a]-3:C[5]-4:C-3:O-2:	C[5]-4:N[5]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(CCH)(OH)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(C[6a]C[6a]2)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	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[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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){3|C<3>,3|H<1>}	98.9802	0.000	1	98.9802	0.000	1	98.9802	0.000	1	98.9802	0.000	1	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:2:	4:3:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-3:O-2:	C[5]-4:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCC)(OH)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CH3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCC)(OH){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CH3)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	102.4750	0.000	1	102.4750	0.000	1	102.4750	0.000	1	102.4750	0.000	1	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:2:	4:3:4:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:C-2:	C[5]-4:N[5]-3:C[6]-4:H-1:	C[5,6a]-3:C[5]-4: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[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[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[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	100.7110	0.000	1	100.7110	0.000	1	100.7110	0.000	1	100.7110	0.000	1	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:2:	4:3:4:2:	3:3:4:	C[5,6a]-3:C[5]-4:C-3:O-2:	C[5]-4:C[5]-3:C-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(COO)(OH)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CCHH)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(COO)(OH){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CCHH)(OH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	102.2530	0.000	1	102.2530	0.000	1	102.2530	0.000	1	102.2530	0.000	1	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:3:	3:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-3:C-3:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[5,6a])(C[5]C[5,6a]HH)(COO)2	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CC)(H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[5])(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a,6a]C[5,6a])(C[5]C[5,6a]HH)(COO)2{1|C<4>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CC)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[5])(C[5]C[5]CC){4|H<1>,5|C<3>}	103.0690	0.000	1	103.0690	0.000	1	103.0690	0.000	1	103.0690	0.000	1	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:3:	3:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-3:C-3:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]H)(COO)2	C[5](C[5a]C[5a]S[5a])(C[5]C[5,6a]CC)(N[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]H)(COO)2{1|H<1>,1|O<2>,1|S<2>,3|C<3>}	C[5](C[5a]C[5a]S[5a])(C[5]C[5,6a]CC)(N[5]C[5,6a]O)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|O<2>,2|C<3>,3|H<1>}	101.9230	0.000	1	101.9230	0.000	1	101.9230	0.000	1	101.9230	0.000	1	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:3:	3:4:3:3:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-3:C-3:	C[5,6a]-3:C[5]-4:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]N[5]O)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]N[5]O)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]N[5]O)(COO){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]N[5]O)(COO){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	109.8240	0.000	1	109.8240	0.000	1	109.8240	0.000	1	109.8240	0.000	1	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:3:	4:3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-3:C-3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CC[6a]O)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	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[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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,2|C<3>,3|H<1>}	101.9710	0.000	1	101.9710	0.000	1	101.3187	0.488	3	101.3187	0.488	3	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:3:	4:3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-3:C-3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(COO)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]O)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	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[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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|O<2>,2|C<3>,3|H<1>}	100.9925	0.581	2	100.9925	0.337	2	101.3187	0.488	3	101.3187	0.488	3	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:3:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:C-3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4: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[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]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[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){4|C<3>,4|H<1>}	101.2900	0.000	1	101.2900	0.000	1	100.7024	0.464	3	100.7024	0.464	3	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:3:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:C-3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4: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[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]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[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){4|C<3>,4|H<1>}	100.4086	0.640	2	100.4086	0.409	2	100.7024	0.464	3	100.7024	0.464	3	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:3:	4:3:3:4:	3:3:4:	C[5,6a]-3:C[5]-4:C-3:C-3:	C[5]-4:C[5]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(CC[5]C)(COO)	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]O)(C[6a]C[6a]2)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	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[5](C[5]C[5,6a]CC)(C[5]C[5,6a]O)(C[6a]C[6a]2)(CCHH){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	101.7380	0.000	1	101.7380	0.000	1	101.7380	0.000	1	101.7380	0.000	1	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:3:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:C-3:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4: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[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[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[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){4|H<1>,5|C<3>}	102.7550	0.000	1	102.7550	0.000	1	102.7550	0.000	1	102.7550	0.000	1	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:4:	3:4:3:4:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]N[5]O)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]N[5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]N[5]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]N[5]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	110.3260	0.000	1	110.3260	0.000	1	110.3260	0.000	1	110.3260	0.000	1	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:4:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CC[6a]O)(CH3)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CC[6a]O)(CH3){1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,2|C<3>,3|H<1>}	101.9200	0.000	1	101.9200	0.000	1	101.9200	0.000	1	101.9200	0.000	1	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:3:4:	4:3:3:3:	3:4:3:	C[5,6a]-3:C[5]-4:C[6a]-3:C-4:	C[5]-4:N[5]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(C[6a]C[6a]2)(CH3)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(C[6a]C[6a]2)(CHN)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(C[6a]C[6a]2)(CH3){1|C<4>,3|H<1>,6|C<3>}	C[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[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	99.7661	0.000	1	99.7661	0.000	1	99.7661	0.000	1	99.7661	0.000	1	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	3:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H){1|C<4>,2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,4|C<3>,4|H<1>}	104.0265	0.037	2	104.0265	0.001	2	104.0265	0.001	2	104.0265	0.001	2	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	3:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(CC3)(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(CC3)(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(H){1|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<4>,2|H<1>,3|C<3>}	103.5230	0.414	2	103.5230	0.172	2	103.5230	0.172	2	104.1483	1.290	14	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	3:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)(H)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]CH)(CH3)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)(H){1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]CH)(CH3)(H){4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<4>,2|H<1>,3|C<3>}	100.7960	0.000	1	100.7960	0.000	1	100.7960	0.000	1	104.1483	1.290	14	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	3:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(CC3)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(H){1|C<4>,2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(CC3)(H){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]2H){2|C<4>,3|H<1>,4|C<3>}	104.0140	0.017	2	104.0140	0.000	2	104.0140	0.000	2	104.1483	1.290	14	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	3:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)2(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)2(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)2(H){1|C<4>,4|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)2(H){2|C<4>,3|H<1>,7|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]2H){2|C<4>,3|H<1>,4|C<3>}	104.7345	1.162	2	104.4915	0.532	4	104.4915	0.532	4	104.1483	1.290	14	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	3:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)2(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)2(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)2(H){2|C<4>,3|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)2(H){1|C<4>,4|H<1>,7|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]2H){2|C<4>,3|H<1>,4|C<3>}	104.2485	0.107	2	104.4915	0.532	4	104.4915	0.532	4	104.1483	1.290	14	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	3:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:N-4:H-1:	C[5,6a]-3:C[5]-4:N-4:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HN)(NC[6a]PdH)(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HN)(NC[6a]PdH)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HN)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HN)(NC[6a]PdH)(H){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HN)(NC[6a]PdH)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HN){1|N<4>,2|H<1>,3|C<3>}	104.8480	0.088	5	104.8480	0.008	5	104.8480	0.008	5	104.1483	1.290	14	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:2:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]2)(C[5]O[5]HH)(CH3)(H)	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(H)2	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]O[5])(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]2)(C[5]O[5]HH)(CH3)(H){3|C<3>}	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(H)2{2|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]O[5])(C[5]C[5]CH){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	101.5160	0.000	1	101.5160	0.000	1	101.5160	0.000	1	100.8614	0.667	11	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:2:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CCHH)(H)	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CCHH)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,4|H<1>}	100.1660	0.000	1	100.1660	0.000	1	101.2160	0.277	7	100.8614	0.667	11	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:2:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CCHN)(H)	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CCHN)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,4|H<1>}	101.3060	0.000	1	101.3060	0.000	1	101.2160	0.277	7	100.8614	0.667	11	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:2:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CC[6a]FH)(H)	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CC[6a]FH)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,4|H<1>}	101.5260	0.000	1	101.5260	0.000	1	101.2160	0.277	7	100.8614	0.667	11	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:2:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CH3)(H)	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CH3)(H){3|C<3>}	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|C<3>,4|H<1>}	100.9410	0.000	1	100.9410	0.000	1	101.2160	0.277	7	100.8614	0.667	11	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:2:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CH3)(H)	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CH3)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){2|C<3>,3|H<1>}	101.5243	0.215	3	101.5243	0.046	3	101.2160	0.277	7	100.8614	0.667	11	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:2:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[6,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5]O[5]HH)(CH3)(H)	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(H)2	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5]O[5]HH)(CH3)(H){3|C<3>}	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(H)2{2|C<3>}	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]O[5])(C[5]C[5]CH){3|C<3>,4|H<1>}	99.7411	0.624	2	99.7411	0.389	2	99.7411	0.389	2	100.8614	0.667	11	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:2:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:O[5]-2:Cl-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]O[5]ClH)(H)	C[5](C[5]C[5,6a]C[5]H)(O[5]C[5,6a])(Cl)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]O[5]ClH)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5]H)(O[5]C[5,6a])(Cl)(H){1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|Cl<1>,1|O<2>,3|C<3>,3|H<1>}	99.9650	0.000	1	99.9650	0.000	1	99.9650	0.000	1	100.8614	0.667	11	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:2:2:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HO)(CF3)(H)	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(OH)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HO)(CF3)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(OH)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,2|H<1>,2|O<2>}	103.3490	0.000	1	103.3490	0.000	1	103.3490	0.000	1	103.3490	0.000	1	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:2:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CCHH)(H)	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CCHH)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(CC[6a]O)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){2|C<3>,3|H<1>}	101.6450	0.054	2	101.6450	0.003	2	101.3216	0.774	5	101.3216	0.774	5	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:2:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CCHH)(H)	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(COO)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CCHH)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(COO)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){2|C<3>,3|H<1>}	100.6130	0.000	1	100.6130	0.000	1	101.3216	0.774	5	101.3216	0.774	5	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:2:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CF3)(H)	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CF3)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(CC[6a]O)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){2|C<3>,3|H<1>}	102.4430	0.000	1	102.4430	0.000	1	101.3216	0.774	5	101.3216	0.774	5	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:2:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CHHN)(H)	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(CCO)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CHHN)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(CCO)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){2|C<3>,3|H<1>}	100.2620	0.000	1	100.2620	0.000	1	101.3216	0.774	5	101.3216	0.774	5	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:2:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CH3)(H)	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(CH3)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CH3)(H){3|C<3>}	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(CH3)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|C<3>,1|C<4>,3|H<1>}	100.3749	0.692	2	100.3749	0.479	2	100.3749	0.479	2	100.3749	0.479	2	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)(H){1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]C)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]CH){3|C<3>,3|H<1>}	102.4070	0.000	1	102.4070	0.000	1	103.4220	0.820	15	103.1915	0.892	20	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]N)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)(H){1|H<1>,1|N<2>,2|C<3>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]N)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|N<2>,4|H<1>}	103.8400	0.000	1	103.8400	0.000	1	103.4220	0.820	15	103.1915	0.892	20	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|O<1>,4|H<1>}	103.5877	0.209	3	103.5877	0.044	3	103.4220	0.820	15	103.1915	0.892	20	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]N)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(H){1|C<4>,1|N<3>,2|C<3>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]N)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	103.4008	0.934	5	103.4504	1.435	8	103.4220	0.820	15	103.1915	0.892	20	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]N)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(H){1|C<4>,1|N<3>,2|C<3>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]N)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|C<3>,1|N<3>,1|O<3>,3|H<1>}	103.5330	1.805	3	103.4504	1.435	8	103.4220	0.820	15	103.1915	0.892	20	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]N)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(H){1|Cl<1>,1|N<3>,2|C<3>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]N)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]C[5]CH){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	103.2080	0.000	1	103.2080	0.000	1	103.4220	0.820	15	103.1915	0.892	20	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	103.5090	0.000	1	103.5090	0.000	1	103.4220	0.820	15	103.1915	0.892	20	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CC[6a]HH)(H)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]S)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CC[6a]HH)(H){1|S<4>,3|C<3>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]S)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|C<3>,1|S<4>,4|H<1>}	101.5050	0.000	1	101.5050	0.000	1	101.5050	0.000	1	103.1915	0.892	20	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]2H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[5]HH)(H){1|Br<1>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]2H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	102.7485	0.589	4	102.7485	0.347	4	102.7485	0.347	4	103.1915	0.892	20	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:3:2:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(CH3)(H)	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(CH3)(H){1|H<1>,4|C<3>}	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[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<4>,2|C<3>,2|H<1>}	100.0340	0.000	1	100.0340	0.000	1	100.0340	0.000	1	102.0444	0.902	7	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:3:2:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[6a]O[5]H)(H)	C[5](C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]2H)	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[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[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,3|C<3>,4|H<1>}	102.4218	0.339	4	102.4218	0.115	4	102.4218	0.115	4	102.0444	0.902	7	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:3:2:1:	3:3:4:	C[5,6a]-3:C[5]-4:N-4:H-1:	C[5]-4:N[5]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(NC3)(H)	C[5](C[5]C[5,6a]HN)(N[5]C[5,6a]S)(OH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(NC3)(H){1|H<1>,1|S<4>,2|C<3>}	C[5](C[5]C[5,6a]HN)(N[5]C[5,6a]S)(OH)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<3>,1|O<2>,1|S<4>,3|H<1>}	102.2950	0.576	2	102.2950	0.331	2	102.2950	0.331	2	102.0444	0.902	7	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:3:2:3:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:O[5]-2:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]C)(CCHH)(H)	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)(O[5]C[5,6a])(COO)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]C)(CCHH)(H){1|H<1>,4|C<3>}	C[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[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){2|H<1>,3|C<3>}	98.9007	0.000	1	98.9007	0.000	1	98.9007	0.000	1	98.9007	0.000	1	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:N-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(CCCH)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(NHS)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(CCCH)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(NHS)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	102.8180	0.000	1	102.8180	0.000	1	102.8180	0.000	1	102.4235	0.665	14	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CCHH)(H)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]S)(CCC)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CCHH)(H){1|H<1>,1|S<4>,2|C<3>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]S)(CCC)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|S<4>,2|C<3>,3|H<1>}	102.1400	1.095	5	102.1400	1.199	5	102.3009	0.876	7	102.4235	0.665	14	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CCHH)(H)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]S)(CCH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CCHH)(H){1|H<1>,1|S<4>,2|C<3>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]S)(CCH)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|S<4>,2|C<3>,3|H<1>}	102.6480	0.000	1	102.6480	0.000	1	102.3009	0.876	7	102.4235	0.665	14	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CCHH)(H)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]S)(CCO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CCHH)(H){1|H<1>,1|S<4>,2|C<3>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]S)(CCO)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|Br<1>,1|S<4>,2|C<3>,2|H<1>}	102.7580	0.000	1	102.7580	0.000	1	102.3009	0.876	7	102.4235	0.665	14	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[6a]N[5]H)(H)	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	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[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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,4|C<3>,4|H<1>}	102.8195	0.702	2	102.8195	0.493	2	102.5008	0.619	6	102.4235	0.665	14	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[6a]N[5]H)(H)	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	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[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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	102.3415	0.875	4	102.3415	0.765	4	102.5008	0.619	6	102.4235	0.665	14	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:3:3:2:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-3:C-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CCHH)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]C)(COO)(CN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CCHH)(H){1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]C)(COO)(CN){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<2>,2|H<1>,3|C<3>}	102.6850	0.000	1	102.6850	0.000	1	102.6850	0.000	1	102.1292	3.693	4	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:3:3:2:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(CCHH)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]N)(CHH)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(CCHH)(H){1|H<1>,1|N<2>,2|C<3>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]N)(CHH)(OC){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	104.5260	0.000	1	104.5260	0.000	1	104.5260	0.000	1	102.1292	3.693	4	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:3:3:2:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2O[5])(CCHH)(H)	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)2(O[5]C[5,6a])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2O[5])(CCHH)(H){1|H<1>,6|C<3>}	C[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[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){2|H<1>,3|C<3>}	101.2310	0.000	1	100.6530	0.668	2	100.6530	0.668	2	102.1292	3.693	4	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:3:3:2:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2O[5])(CCHH)(H)	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)2(O[5]C[5,6a])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2O[5])(CCHH)(H){1|H<1>,6|C<3>}	C[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[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){2|H<1>,3|C<3>}	100.0750	0.000	1	100.6530	0.668	2	100.6530	0.668	2	102.1292	3.693	4	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:3:3:3:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(CCHH)(H)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]H)(C[6a]C[6a]2)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(CCHH)(H){2|H<1>,4|C<3>}	C[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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){3|C<3>,3|H<1>}	100.1450	0.000	1	100.1450	0.000	1	100.1450	0.000	1	100.1450	0.000	1	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:3:3:3:	3:4:3:	C[5,6a]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:N[5]-3:C[6a]-3:B[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-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)	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[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]H)(C[6a]C[6a]H)	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[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[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]H)(C[6a]C[6a]H){1|B<3>,2|C<4>,3|C<3>,3|H<1>}	101.6850	0.000	1	101.6850	0.000	1	101.6850	0.000	1	101.6850	0.000	1	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:3:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(CCHH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(CCHH)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	104.0780	0.000	1	104.0780	0.000	1	104.0780	0.000	1	103.2983	0.459	3	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:3:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CC[6a]HH)(H)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]S)(CCHH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CC[6a]HH)(H){1|H<1>,1|S<4>,2|C<3>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]S)(CCHH)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	102.9085	0.076	2	102.9085	0.006	2	102.9085	0.006	2	103.2983	0.459	3	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:3:4:2:	3:3:4:	C[5,6a]-3:C[5]-4:S-4:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(SCOO)(H)	C[5](C[5]C[5,6a]HS)(C[5]C[5,6a]C)(CH3)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HS)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(SCOO)(H){1|C<4>,3|C<3>}	C[5](C[5]C[5,6a]HS)(C[5]C[5,6a]C)(CH3)(OH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HS){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	102.2090	0.000	1	102.2090	0.000	1	102.2090	0.000	1	102.2090	0.000	1	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:4:1:1:	3:2:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	N[5,6a]-3:N[6a]-2:C[5]-4:	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5,6a]CH)(C[5]N[5,6a]HH)(H)2	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]CH)	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HH)(CCHH)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CH)(C[5]N[5,6a]HH)(H)2{1|C<3>,1|N<2>}	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]CH){1|O<1>,2|C<3>,4|H<1>}	102.9765	1.060	2	102.9765	1.124	2	102.9765	1.124	2	102.9765	1.124	2	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(CCCN)(H)	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]CH)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(CCCN)(H){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]CH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,3|C<4>,3|H<1>}	101.9400	0.000	1	101.9400	0.000	1	101.9400	0.000	1	102.6785	2.698	19	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:Br-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(CCHH)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HO)(Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HO)(Br)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|Br<1>,1|C<3>,1|C<4>,1|O<1>,3|H<1>}	101.3051	1.727	3	101.3051	2.981	3	101.8846	3.330	4	102.6785	2.698	19	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:Br-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(CF3)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(CF3)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(Br)(H){4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	103.6230	0.000	1	103.6230	0.000	1	101.8846	3.330	4	102.6785	2.698	19	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]2)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]2)(C[5]C[5]HH)(CCHH)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<2>,7|H<1>}	102.4990	0.000	1	102.4990	0.000	1	102.6480	0.044	2	102.6785	2.698	19	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]2)(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,6a]CH)2(H)2	C[5,6a](C[5,6a]C[5,6a]N[5])(C[5,6a]C[6a]C[5])(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]2)(C[5]C[5]HH)(CH3)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]C[5,6a]CH)2(H)2{2|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[5])(C[5,6a]C[6a]C[5])(C[5]C[5]CH){3|C<3>,3|C<4>,3|H<1>}	102.7970	0.000	1	102.7970	0.000	1	102.6480	0.044	2	102.6785	2.698	19	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHN)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHN)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|O<2>,5|H<1>}	103.5740	0.000	1	103.5740	0.000	1	103.0008	0.707	4	102.6785	2.698	19	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CF3)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CF3)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(H)2{4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|C<4>,2|C<3>,4|H<1>}	103.8550	0.000	1	103.8550	0.000	1	103.0008	0.707	4	102.6785	2.698	19	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]C[5]CH){1|C<3>,6|H<1>}	102.1380	0.000	1	102.1380	0.000	1	103.0008	0.707	4	102.6785	2.698	19	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,6a]CH)2(H)2	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]CH)2(H)2{2|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	102.4360	0.000	1	102.4360	0.000	1	103.0008	0.707	4	102.6785	2.698	19	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5]HH)(CH3)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a]C[5])(C[5]C[5]CH)	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5]HH)(CH3)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(H)2{2|C<3>}	C[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a]C[5])(C[5]C[5]CH){1|C<4>,3|C<3>,5|H<1>}	101.7200	0.000	1	101.7200	0.000	1	101.7200	0.000	1	102.6785	2.698	19	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	Si[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]HH)(CH3)(H)	C[5](Si[5]C[5,6a]C[6a]Rh)(C[5]C[5,6a]CH)(H)2	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]HH)(CH3)(H){1|Rh<3>,1|H<1>,3|C<3>}	C[5](Si[5]C[5,6a]C[6a]Rh)(C[5]C[5,6a]CH)(H)2{4|C<3>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|Rh<3>,2|C<3>,2|C<4>,2|H<1>}	107.9520	0.000	1	107.9520	0.000	1	107.9520	0.000	1	102.6785	2.698	19	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(C[5]C[5]HH)(H){2|C<4>,3|C<3>,5|H<1>}	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<3>,1|C<4>,1|N<3>,7|H<1>}	102.4055	0.912	4	102.4055	0.831	4	102.2480	0.747	5	102.6785	2.698	19	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]H)(C[5]C[5]HH)(H)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]H)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<3>,1|C<4>,1|O<2>,7|H<1>}	101.6180	0.000	1	101.6180	0.000	1	102.2480	0.747	5	102.6785	2.698	19	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:N-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NH3)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NH3)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<3>,6|H<1>}	103.2030	0.000	1	103.2030	0.000	1	103.2030	0.000	1	102.6785	2.698	19	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:N[4]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(N[4]C[4]2C)(H)	C[5](C[5]C[5,6a]N[4]H)(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[4]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(N[4]C[4]2C)(H){1|C<4>,3|C<3>,6|H<1>}	C[5](C[5]C[5,6a]N[4]H)(C[5]C[5,6a]HH)(H)2{2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[4]H)(C[6a]C[6a]H){1|C<3>,3|C<4>,6|H<1>}	103.5580	0.037	2	103.5580	0.001	2	103.5580	0.001	2	103.5580	0.001	2	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5,5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(CF3)(H)	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]CH)(CC[6a]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(CF3)(H){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]CH)(CC[6a]O)(H){1|H<1>,1|S<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CH){1|N<3>,3|C<3>,3|H<1>}	103.8055	0.978	2	103.8055	0.956	2	103.8055	0.956	2	102.7528	1.452	21	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5]H)(CH3)(H)	C[5](C[5,6]C[5,5,6]C[5,6]C)(C[5]C[5,6a]CH)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5]H)(CH3)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5](C[5,6]C[5,5,6]C[5,6]C)(C[5]C[5,6a]CH)(C[5]C[5,6a]O)(H){2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	104.5800	0.000	1	104.5800	0.000	1	104.5800	0.000	1	102.7528	1.452	21	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CC[6a]O)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){2|C<3>,5|H<1>}	101.8180	1.189	2	101.8180	1.415	2	102.7439	1.689	9	102.7528	1.452	21	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HS)(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H){1|S<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HS)(CC[6a]O)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|S<2>,2|C<3>,4|H<1>}	103.9170	0.423	3	103.9170	0.179	3	102.7439	1.689	9	102.7528	1.452	21	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(CC[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<4>,2|C<3>,4|H<1>}	102.0735	0.773	2	102.0735	0.597	2	102.7439	1.689	9	102.7528	1.452	21	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(COO)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H){2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(COO)(H){4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|O<2>,3|C<3>,3|H<1>}	101.1060	0.000	1	101.1060	0.000	1	102.7439	1.689	9	102.7528	1.452	21	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CC[6a]CC)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HO)(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CC[6a]CC)(H){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HO)(CC[6a]O)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|O<2>,2|C<3>,4|H<1>}	104.0550	0.000	1	104.0550	0.000	1	102.7439	1.689	9	102.7528	1.452	21	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CCCH)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CCCH)(H){2|H<1>,5|C<3>}	C[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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<4>,3|C<3>,3|H<1>}	102.8130	0.000	1	102.8130	0.000	1	102.1695	1.130	4	102.7528	1.452	21	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CC[6a]HN)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CC[6a]HN)(H){2|H<1>,5|C<3>}	C[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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){3|C<3>,4|H<1>}	102.2055	1.569	2	102.2055	2.462	2	102.1695	1.130	4	102.7528	1.452	21	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CH3)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]N[6a]C)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CH3)(H){1|N<2>,2|H<1>,4|C<3>}	C[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[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]N[6a]C)(C[5]C[5]CH){3|C<3>,3|H<1>}	101.4540	0.000	1	101.4540	0.000	1	102.1695	1.130	4	102.7528	1.452	21	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(CCHH)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(NHS)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(CCHH)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(NHS)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|N<3>,5|H<1>}	100.7860	0.000	1	100.7860	0.000	1	102.2560	1.623	3	102.7528	1.452	21	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(CCHH)(H)	C[5](C[5]C[5,6a]CH)2(NOO)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(CCHH)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CH)2(NOO)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	103.0410	0.000	1	103.0410	0.000	1	102.2560	1.623	3	102.7528	1.452	21	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(CC[6a]CC)(H)	C[5](C[5]C[5,6a]CH)2(NOO)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(CC[6a]CC)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CH)2(NOO)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	102.9410	0.000	1	102.9410	0.000	1	102.2560	1.623	3	102.7528	1.452	21	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5,6]H)(C[5]C[5]CH)(H)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5,6]H)(C[5]C[5]CH)(H){2|C<4>,3|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(CC[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2H){2|C<4>,3|C<3>,5|H<1>}	102.7380	0.535	2	102.7380	0.286	2	102.7380	0.286	2	102.7528	1.452	21	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:4:3:3:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CCHH)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(COO)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CCHH)(H){2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(COO)2{4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){3|H<1>,4|C<3>}	102.9930	0.000	1	102.9930	0.000	1	102.9930	0.000	1	102.9930	0.000	1	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CCCO)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CCCO)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	103.7260	0.062	2	103.7260	0.004	2	102.4146	1.147	10	102.3154	1.078	14	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CH3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CH3)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,5|H<1>}	103.0160	0.000	1	103.0160	0.000	1	102.4146	1.147	10	102.3154	1.078	14	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CHHO)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CHHO)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,5|H<1>}	101.9470	0.000	1	101.9470	0.000	1	102.4146	1.147	10	102.3154	1.078	14	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(CCCH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H){2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(CCCH)(H){4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	100.7625	0.334	2	100.7625	0.112	2	102.4146	1.147	10	102.3154	1.078	14	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)(H)	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]CH)(CH3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]CH)(CH3)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){2|C<3>,2|H<1>,3|C<4>}	103.1460	0.000	1	103.1460	0.000	1	102.4146	1.147	10	102.3154	1.078	14	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CHHN)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CH3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CHHN)(H){2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CH3)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|C<3>,1|C<4>,5|H<1>}	102.3840	0.423	2	102.3840	0.179	2	102.4146	1.147	10	102.3154	1.078	14	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CHHN)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CH3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CHHN)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CH3)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,5|H<1>}	102.2920	0.000	1	102.2920	0.000	1	102.4146	1.147	10	102.3154	1.078	14	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:Si-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SiH)(CSiHH)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(SiCl3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SiH)(CSiHH)(H){1|Cl<1>,1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(SiCl3)(H){4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]C[5]CH){1|Si<4>,2|Cl<1>,2|C<3>,2|H<1>}	101.8120	0.000	1	101.8120	0.000	1	101.8120	0.000	1	102.3154	1.078	14	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]C[5]CH)(H)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(CC[6a]HN)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]C[5]CH)(H){5|C<3>,6|H<1>}	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(CC[6a]HN)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<3>,3|C<4>,6|H<1>}	102.8850	0.198	2	102.8850	0.039	2	102.1527	1.629	3	102.3154	1.078	14	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]C[5]CH)(H){1|C<4>,1|O<2>,4|C<3>,5|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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	100.6880	0.000	1	100.6880	0.000	1	102.1527	1.629	3	102.3154	1.078	14	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:4:4:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:C[5]-4:S-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HS)(C[6]C[6]2H)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[6]H)(SC[6a]OO)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HS)(C[6]C[6]2H)(H){2|C<4>,3|C<3>,6|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[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]H)(C[6a]C[6a]H){1|O<2>,1|S<4>,2|C<3>,2|C<4>,4|H<1>}	102.4400	0.000	1	102.4400	0.000	1	102.4400	0.000	1	102.4400	0.000	1	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:1:	4:4:4:4:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CCHH)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CCCH)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CCHH)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CCCH)(CH3){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,2|C<4>,4|H<1>}	102.2100	0.000	1	102.2100	0.000	1	102.2100	0.000	1	102.2100	0.000	1	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:2:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:O-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCl2H)(OH)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCl2H)(OH){1|O<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]CO){1|C<3>,1|O<1>,4|H<1>}	104.0680	0.000	1	104.0680	0.000	1	104.0680	0.000	1	104.0680	0.000	1	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:2:	4:3:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:O-2:	C[5]-4:C[5]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)(OH)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]C)(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)(OH){1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]C)(CC[6a]O)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO){3|C<3>,3|H<1>}	103.1610	0.000	1	103.1610	0.000	1	103.1610	0.000	1	103.1610	0.000	1	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:2:	4:3:3:3:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:O-2:	C[5]-4:N[5]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(CH3)(OH)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(C[6a]C[6a]2)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(CH3)(OH){1|C<4>,1|H<1>,4|C<3>}	C[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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<4>,2|H<1>,3|C<3>}	101.3610	0.000	1	101.3610	0.000	1	101.3610	0.000	1	101.3610	0.000	1	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:2:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCFF)(OH)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCFF)(OH){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]HH)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,6|H<1>}	103.0510	0.554	2	103.0510	0.307	2	102.5388	0.381	5	102.5388	0.381	5	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:2:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]CH)(OH)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]CH)(OH){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]HH)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,6|H<1>}	102.6610	0.000	1	102.6610	0.000	1	102.5388	0.381	5	102.5388	0.381	5	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:2:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(OH)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]HO)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(OH){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]HO)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|O<2>,5|H<1>}	102.0670	0.000	1	102.0670	0.000	1	102.5388	0.381	5	102.5388	0.381	5	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:2:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(OH)	C[5](C[5]C[5,6a]N[6]H)(C[5]C[5,6a]CO)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(OH){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]N[6]H)(C[5]C[5,6a]CO)(H)2{2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|N<3>,5|H<1>}	101.8640	0.000	1	101.8640	0.000	1	102.5388	0.381	5	102.5388	0.381	5	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:2:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[6]-4:C[5]-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6]H)(C[5]C[5]HH)(OH)	C[5](C[5]C[5,6a]C[6]O)(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6]H)(C[5]C[5]HH)(OH){1|C<4>,4|C<3>,5|H<1>}	C[5](C[5]C[5,6a]C[6]O)(C[5]C[5,6a]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,7|H<1>}	102.0610	0.000	1	101.3980	0.802	3	101.3980	0.802	3	101.3980	0.802	3	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:2:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[6]-4:C[5]-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6]H)(C[5]C[5]HH)(OH)	C[5](C[5]C[5,6a]C[6]O)(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6]H)(C[5]C[5]HH)(OH){2|C<4>,4|C<3>,4|H<1>}	C[5](C[5]C[5,6a]C[6]O)(C[5]C[5,6a]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,7|H<1>}	101.0665	0.972	2	101.3980	0.802	3	101.3980	0.802	3	101.3980	0.802	3	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:2:	4:4:4:3:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:O-2:	C[5]-4:C[5]-4:C-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CCHH)(OH)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]HH)(CF3)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CCHH)(OH){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]HH)(CF3)(COO){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<4>,2|C<3>,4|H<1>}	101.7380	0.000	1	101.7380	0.000	1	101.7380	0.000	1	101.7380	0.000	1	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:3:	4:3:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-3:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CCHH)(COO)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]S)(CCHH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CCHH)(COO){1|H<1>,1|S<4>,2|C<3>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]S)(CCHH)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	102.5240	0.000	1	102.5240	0.000	1	102.5240	0.000	1	102.5240	0.000	1	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:3:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-3:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CH3)(CCC)	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]CC)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CH3)(CCC){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]CC)(H)2{1|H<1>,1|S<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	100.7020	0.000	1	100.7020	0.000	1	101.5380	1.398	2	101.5380	1.398	2	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:3:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-3:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CH3)(CCH)	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]CC)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CH3)(CCH){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]CC)(H)2{1|S<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CC){1|N<3>,2|C<3>,4|H<1>}	102.3740	0.000	1	102.3740	0.000	1	101.5380	1.398	2	101.5380	1.398	2	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:3:	4:4:3:2:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-3:	C[5]-4:C[5]-4:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(CH3)(COO)	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HH)(C[6a]C[6a]2)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(CH3)(COO){3|H<1>,4|C<3>}	C[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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|O<2>,2|C<3>,4|H<1>}	101.5095	0.224	2	101.5095	0.050	2	101.5095	0.050	2	101.5095	0.050	2	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:4:	3:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[5,6a])(C[5]C[5,6a]HH)(CH3)2	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CC)(H)2	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a])(C[5,6a]C[5,6a,6a]C[5])(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a,6a]C[5,6a])(C[5]C[5,6a]HH)(CH3)2{1|C<4>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CC)(H)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a])(C[5,6a]C[5,6a,6a]C[5])(C[5]C[5]CC){4|H<1>,5|C<3>}	104.3070	0.000	1	104.3070	0.000	1	104.3070	0.000	1	102.1755	9.087	2	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:4:	3:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CC[6a]HO)(CH3)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CC[6a]HO)(CH3){1|H<1>,3|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(H)2{4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,4|H<1>}	100.0440	0.000	1	100.0440	0.000	1	100.0440	0.000	1	102.1755	9.087	2	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:4:	4:2:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CCHH)(CH3)	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CCHH)(CH3){1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,3|H<1>}	99.8543	0.000	1	99.8543	0.000	1	99.6007	0.118	7	99.5069	0.131	9	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:4:	4:2:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CC[6]HH)(CH3)	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CC[6]HH)(CH3){1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,3|H<1>}	99.5340	0.000	1	99.5340	0.000	1	99.6007	0.118	7	99.5069	0.131	9	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:4:	4:2:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CC[6a]HH)(CH3)	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CC[6a]HH)(CH3){1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,4|H<1>}	99.2662	0.000	1	99.2662	0.000	1	99.6007	0.118	7	99.5069	0.131	9	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:4:	4:2:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CH3)2	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CH3)2{3|C<3>}	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CC){1|C<3>,1|O<2>,3|H<1>}	99.4040	0.000	1	99.2866	0.028	2	99.6007	0.118	7	99.5069	0.131	9	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:4:	4:2:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CH3)2	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CH3)2{3|C<3>}	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CC){2|C<3>,3|H<1>}	99.1691	0.000	1	99.2866	0.028	2	99.6007	0.118	7	99.5069	0.131	9	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:4:	4:2:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CHHN)(CH3)	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CHHN)(CH3){3|C<3>}	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CC){1|C<3>,4|H<1>}	99.9887	0.022	2	99.9887	0.000	2	99.6007	0.118	7	99.5069	0.131	9	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:4:	4:2:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:O[5]-2:H-1:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]HH)(CH3)2	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(H)2	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]CC)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]HH)(CH3)2{3|C<3>}	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(H)2{2|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]CC){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	99.1786	0.252	2	99.1786	0.063	2	99.1786	0.063	2	99.5069	0.131	9	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:4:	4:2:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:O[5]-2:N[6]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[6]O[5]H)(CCHH)2	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(N[6]C[6]2)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[6]O[5]H)(CCHH)2{2|C<4>,3|C<3>}	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(N[6]C[6]2)(H){2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CC){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	100.7330	0.000	1	100.7330	0.000	1	100.7330	0.000	1	100.7330	0.000	1	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:4:	4:2:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:O[5]-2:C-4:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]CH)(CH3)2	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(CH3)(H)	C[5,6a](C[6a,6a]C[6a,6a]O[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]CC)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]CH)(CH3)2{1|O<2>,2|C<3>}	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(CH3)(H){2|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]O[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]CC){1|C<4>,2|H<1>,3|C<3>}	98.9243	0.107	2	98.9243	0.012	2	98.9243	0.012	2	98.9243	0.012	2	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:4:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CCHH)(CH3)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CCHH)(CH3){1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,4|H<1>}	101.2210	0.000	1	101.2210	0.000	1	100.9414	0.793	4	100.9414	0.793	4	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:4:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CC[6a]CH)(CH3)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CC[6a]CH)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,4|H<1>}	99.9606	0.000	1	99.9606	0.000	1	100.9414	0.793	4	100.9414	0.793	4	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:4:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CH3)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CH3)2{1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,4|H<1>}	102.0310	0.000	1	101.2920	1.092	2	100.9414	0.793	4	100.9414	0.793	4	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:4:	4:3:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CH3)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CH3)2{1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){3|C<3>,3|H<1>}	100.5530	0.000	1	101.2920	1.092	2	100.9414	0.793	4	100.9414	0.793	4	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:4:	4:3:3:2:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2O[5])(CCHH)(CH3)	C[5](C[5]C[5,6a]CC)(C[6a]C[6a]2)2(O[5]C[5,6a])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2O[5])(CCHH)(CH3){1|H<1>,6|C<3>}	C[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[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|H<1>,3|C<3>}	99.1664	0.000	1	99.1664	0.000	1	99.1664	0.000	1	99.1664	0.000	1	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:4:	4:3:3:3:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:N[5]-3:C[6a]-3:B[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5]N[5])(CCHH)(CH3)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(C[6a]C[6a]2)(B[5]O[5]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5]N[5])(CCHH)(CH3){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	C[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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|B<3>,1|C<4>,2|C<3>,2|H<1>}	100.4720	0.000	1	100.4720	0.000	1	100.4720	0.000	1	100.4720	0.000	1	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:4:	4:3:3:4:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:N[5]-3:B[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]N[5]C)(CCHH)(CH3)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(B[5]O[5]2)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]N[5]C)(CCHH)(CH3){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(B[5]O[5]2)(CC[6a]HH){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|B<3>,1|C<3>,2|C<4>,2|H<1>}	100.1170	0.000	1	100.1170	0.000	1	100.1170	0.000	1	100.2800	0.053	2	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:4:	4:3:3:4:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:N[5]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(CCHH)(CH3)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(C[6a]C[6a]2)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(CCHH)(CH3){1|C<4>,1|H<1>,4|C<3>}	C[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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,2|C<4>,2|H<1>}	100.4430	0.000	1	100.4430	0.000	1	100.4430	0.000	1	100.2800	0.053	2	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:4:	4:3:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)2	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]O)(CH3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)2{1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]O)(CH3)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	102.6150	0.000	1	102.6150	0.000	1	102.6150	0.000	1	100.7987	2.554	3	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:4:	4:3:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CH3)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CH3)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CH3)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CH3)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(C[5]C[5]CC){2|C<3>,2|C<4>,2|H<1>}	100.1740	0.000	1	100.1740	0.000	1	100.1740	0.000	1	100.7987	2.554	3	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:4:	4:3:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:N[5]-3:C[6]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5]H)(CH3)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(C[6]C[6]2H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5]H)(CH3)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(C[6]C[6]2H)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,4|H<1>}	99.6072	0.000	1	99.6072	0.000	1	99.6072	0.000	1	100.7987	2.554	3	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CH3)2	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]CC)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5a,6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CH3)2{1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]CC)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5a,6a]H)(C[5]C[5]CC){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	101.7760	0.000	1	101.7760	0.000	1	101.7533	0.271	30	102.2673	0.873	224	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CH3)2	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]CC)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CH3)2{1|Br<1>,1|C<4>,3|C<3>}	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]CC)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(C[5]C[5]CC){1|Br<1>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	102.2155	0.858	2	102.2155	0.736	2	101.7533	0.271	30	102.2673	0.873	224	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CH3)2	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]CC)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CH3)2{1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]CC)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CC){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	101.8685	0.619	2	101.6448	0.190	25	101.7533	0.271	30	102.2673	0.873	224	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CH3)2	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]CC)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CH3)2{1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]CC)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	101.6602	0.423	6	101.6448	0.190	25	101.7533	0.271	30	102.2673	0.873	224	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CH3)2	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]CC)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CH3)2{1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]CC)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,2|C<3>,4|H<1>}	101.5770	0.279	4	101.6448	0.190	25	101.7533	0.271	30	102.2673	0.873	224	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CH3)2	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]CC)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CH3)2{1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]CC)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,3|C<3>,3|H<1>}	101.4161	0.467	7	101.6448	0.190	25	101.7533	0.271	30	102.2673	0.873	224	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CH3)2	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]CC)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CH3)2{1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]CC)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,2|C<4>,3|H<1>}	101.8667	0.439	6	101.6448	0.190	25	101.7533	0.271	30	102.2673	0.873	224	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CH3)2	C[5](C[5,5]C[5,6a]3)(C[5]C[5,6a]CC)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CH3)2{1|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]3)(C[5]C[5,6a]CC)(H)2{6|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	102.6360	0.540	2	102.6360	0.292	2	101.7533	0.271	30	102.2673	0.873	224	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	C[5](C[5]C[5,6a]CC)2(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Al)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2{1|Al<4>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6a]CC)2(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Al)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	103.1515	0.173	4	103.1515	0.030	4	102.2321	0.558	174	102.2673	0.873	224	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	C[5](C[5]C[5,6a]CC)2(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]B)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2{1|B<3>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6a]CC)2(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]B)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	102.6922	0.462	5	102.6922	0.214	5	102.2321	0.558	174	102.2673	0.873	224	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	C[5](C[5]C[5,6a]CC)2(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]B[3])(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2{1|B<4>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6a]CC)2(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]B[3])(C[5]C[5]CC){1|B<4>,1|C<3>,1|H<2>,3|C<4>,4|H<1>}	103.0968	0.214	4	102.7980	0.232	8	102.2321	0.558	174	102.2673	0.873	224	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	C[5](C[5]C[5,6a]CC)2(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]B[3])(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2{1|B<4>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6a]CC)2(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]B[3])(C[5]C[5]CC){1|B<5>,1|C<3>,1|H<2>,3|C<4>,4|H<1>}	102.6105	0.170	2	102.7980	0.232	8	102.2321	0.558	174	102.2673	0.873	224	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	C[5](C[5]C[5,6a]CC)2(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]B[3])(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2{1|B<5>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6a]CC)2(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]B[3])(C[5]C[5]CC){1|B<4>,1|C<3>,1|H<2>,3|C<4>,5|H<1>}	102.3880	0.832	2	102.7980	0.232	8	102.2321	0.558	174	102.2673	0.873	224	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	C[5](C[5]C[5,6a]CC)2(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Br)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2{1|Br<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6a]CC)2(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Br)(C[5]C[5]CC){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	101.2990	1.230	2	101.2990	1.514	2	102.2321	0.558	174	102.2673	0.873	224	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	C[5](C[5]C[5,6a]CC)2(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Ge)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2{1|Ge<3>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6a]CC)2(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Ge)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	102.8337	0.266	6	102.8864	0.248	10	102.2321	0.558	174	102.2673	0.873	224	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	C[5](C[5]C[5,6a]CC)2(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Ge)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2{1|Ge<4>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6a]CC)2(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Ge)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	102.9655	0.783	4	102.8864	0.248	10	102.2321	0.558	174	102.2673	0.873	224	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	C[5](C[5]C[5,6a]CC)2(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2{1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6a]CC)2(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|Al<4>,1|C<3>,2|H<1>,3|C<4>}	101.9942	0.260	4	101.9790	0.314	81	102.2321	0.558	174	102.2673	0.873	224	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	C[5](C[5]C[5,6a]CC)2(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2{1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6a]CC)2(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|B<3>,1|C<3>,2|H<1>,3|C<4>}	101.7924	0.226	5	101.9790	0.314	81	102.2321	0.558	174	102.2673	0.873	224	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	C[5](C[5]C[5,6a]CC)2(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2{1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6a]CC)2(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|B<4>,1|C<3>,2|H<1>,3|C<4>}	101.6203	0.294	6	101.9790	0.314	81	102.2321	0.558	174	102.2673	0.873	224	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	C[5](C[5]C[5,6a]CC)2(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2{1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6a]CC)2(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|B<5>,1|C<3>,2|H<1>,3|C<4>}	101.5314	0.510	14	101.9790	0.314	81	102.2321	0.558	174	102.2673	0.873	224	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	C[5](C[5]C[5,6a]CC)2(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2{1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6a]CC)2(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	102.1868	0.450	8	101.9790	0.314	81	102.2321	0.558	174	102.2673	0.873	224	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	C[5](C[5]C[5,6a]CC)2(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2{1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6a]CC)2(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|C<3>,1|O<3>,2|H<1>,3|C<4>}	102.6290	0.141	2	101.9790	0.314	81	102.2321	0.558	174	102.2673	0.873	224	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	C[5](C[5]C[5,6a]CC)2(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2{1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6a]CC)2(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|C<3>,1|P<2>,2|H<1>,3|C<4>}	101.9905	0.910	2	101.9790	0.314	81	102.2321	0.558	174	102.2673	0.873	224	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	C[5](C[5]C[5,6a]CC)2(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2{1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6a]CC)2(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|C<3>,1|P<3>,2|H<1>,3|C<4>}	101.9400	0.717	2	101.9790	0.314	81	102.2321	0.558	174	102.2673	0.873	224	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	C[5](C[5]C[5,6a]CC)2(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2{1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6a]CC)2(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|Ge<3>,1|C<3>,2|H<1>,3|C<4>}	101.9112	0.374	6	101.9790	0.314	81	102.2321	0.558	174	102.2673	0.873	224	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	C[5](C[5]C[5,6a]CC)2(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2{1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6a]CC)2(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|Ge<4>,1|C<3>,2|H<1>,3|C<4>}	101.4415	0.654	6	101.9790	0.314	81	102.2321	0.558	174	102.2673	0.873	224	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	C[5](C[5]C[5,6a]CC)2(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2{1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6a]CC)2(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|Si<3>,1|C<3>,2|H<1>,3|C<4>}	102.4342	0.374	24	101.9790	0.314	81	102.2321	0.558	174	102.2673	0.873	224	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	C[5](C[5]C[5,6a]CC)2(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2{1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6a]CC)2(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|Si<4>,1|C<3>,2|H<1>,3|C<4>}	101.5235	0.018	2	101.9790	0.314	81	102.2321	0.558	174	102.2673	0.873	224	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	C[5](C[5]C[5,6a]CC)2(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]O)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2{1|O<2>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6a]CC)2(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]O)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	101.4665	0.383	2	101.4665	0.146	2	102.2321	0.558	174	102.2673	0.873	224	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	C[5](C[5]C[5,6a]CC)2(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]P)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2{1|P<2>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6a]CC)2(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]P)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	102.9260	0.733	2	102.5215	0.483	4	102.2321	0.558	174	102.2673	0.873	224	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	C[5](C[5]C[5,6a]CC)2(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]P)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2{1|P<3>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6a]CC)2(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]P)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	102.1170	0.508	2	102.5215	0.483	4	102.2321	0.558	174	102.2673	0.873	224	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	C[5](C[5]C[5,6a]CC)2(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Si)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2{1|Si<3>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6a]CC)2(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Si)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	103.1005	0.393	24	103.0238	0.219	26	102.2321	0.558	174	102.2673	0.873	224	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	C[5](C[5]C[5,6a]CC)2(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Si)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2{1|Si<4>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6a]CC)2(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Si)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	102.1035	0.299	2	103.0238	0.219	26	102.2321	0.558	174	102.2673	0.873	224	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2{2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HH)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,5|H<1>}	101.2650	0.000	1	101.2855	0.001	2	102.2321	0.558	174	102.2673	0.873	224	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2{2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HH)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,2|O<2>,4|H<1>}	101.3060	0.000	1	101.2855	0.001	2	102.2321	0.558	174	102.2673	0.873	224	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HP)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2{1|P<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HP)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|P<3>,2|C<4>,3|H<1>}	101.9110	0.000	1	101.9110	0.000	1	102.2321	0.558	174	102.2673	0.873	224	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2	C[5](C[5]C[5,6a]CC)2(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]O)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2{1|O<2>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6a]CC)2(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]O)(C[5]C[5]CC){1|Br<1>,1|C<3>,2|H<1>,3|C<4>}	101.4860	1.099	2	101.9373	0.402	12	102.2321	0.558	174	102.2673	0.873	224	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2	C[5](C[5]C[5,6a]CC)2(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]O)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2{1|O<2>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6a]CC)2(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]O)(C[5]C[5]CC){1|C<3>,1|S<2>,2|H<1>,3|C<4>}	101.2535	0.076	2	101.9373	0.402	12	102.2321	0.558	174	102.2673	0.873	224	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2	C[5](C[5]C[5,6a]CC)2(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]O)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2{1|O<2>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6a]CC)2(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]O)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	102.1837	0.480	6	101.9373	0.402	12	102.2321	0.558	174	102.2673	0.873	224	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2	C[5](C[5]C[5,6a]CC)2(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]O)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2{1|O<3>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6a]CC)2(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]O)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	102.3335	0.180	2	101.9373	0.402	12	102.2321	0.558	174	102.2673	0.873	224	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2	C[5](C[5]C[5,6a]CC)2(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]S)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2{1|S<2>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6a]CC)2(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]S)(C[5]C[5]CC){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	101.9240	0.478	2	101.9240	0.228	2	102.2321	0.558	174	102.2673	0.873	224	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2	C[5](C[5]C[5,6a]CC)2(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2{2|C<4>,3|C<3>}	C[5](C[5]C[5,6a]CC)2(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	101.2910	0.000	1	101.2910	0.000	1	102.2321	0.558	174	102.2673	0.873	224	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2	C[5](C[5]C[5,6a]CC)2(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6a]CC)2(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	102.4200	0.000	1	101.9433	0.257	3	102.2321	0.558	174	102.2673	0.873	224	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2	C[5](C[5]C[5,6a]CC)2(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6a]CC)2(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,2|C<4>,4|H<1>}	101.9990	0.000	1	101.9433	0.257	3	102.2321	0.558	174	102.2673	0.873	224	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2	C[5](C[5]C[5,6a]CC)2(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6a]CC)2(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,2|H<1>,3|C<4>}	101.4110	0.000	1	101.9433	0.257	3	102.2321	0.558	174	102.2673	0.873	224	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]CC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2{1|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]CC)(H)2{6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	100.9820	0.042	2	100.9820	0.002	2	102.2321	0.558	174	102.2673	0.873	224	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]CC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2{1|Br<1>,1|C<4>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]CC)(H)2{4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]CC){2|Br<1>,1|C<4>,2|C<3>,2|H<1>}	102.8250	0.000	1	102.8250	0.000	1	102.2321	0.558	174	102.2673	0.873	224	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]CC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2{1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]CC)(H)2{4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	100.7870	0.000	1	101.0976	0.239	5	102.2321	0.558	174	102.2673	0.873	224	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]CC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2{1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]CC)(H)2{4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,2|C<3>,4|H<1>}	101.0913	0.613	3	101.0976	0.239	5	102.2321	0.558	174	102.2673	0.873	224	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]CC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2{1|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[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){3|C<3>,4|H<1>}	101.4270	0.000	1	101.0976	0.239	5	102.2321	0.558	174	102.2673	0.873	224	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]CC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2{1|H<1>,1|O<2>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]CC)(H)2{4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|O<2>,2|C<3>,4|H<1>}	102.0380	0.016	2	102.0380	0.000	2	102.2321	0.558	174	102.2673	0.873	224	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CHHN)(CHHO)	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CHHN)(CHHO){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HH)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,6|H<1>}	103.4870	0.000	1	103.4870	0.000	1	102.2321	0.558	174	102.2673	0.873	224	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	C[5](C[5]C[5,6a]CC)2(H)2	C[5,6a](C[6a]C[5,6a]B[3,3])(C[5,6a]C[6a]C[5])(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2{1|B<5>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6a]CC)2(H)2{2|C<3>}	C[5,6a](C[6a]C[5,6a]B[3,3])(C[5,6a]C[6a]C[5])(C[5]C[5]CC){1|B<5>,1|C<3>,2|H<2>,3|C<4>,4|H<1>}	102.2632	0.345	12	102.2632	0.119	12	102.2881	0.222	14	102.2673	0.873	224	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	C[5](C[5]C[5,6a]CC)2(H)2	C[5,6a](C[6a]C[5,6a]Ge[4])(C[5,6a]C[6a]C[5])(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2{1|Ge<4>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6a]CC)2(H)2{2|C<3>}	C[5,6a](C[6a]C[5,6a]Ge[4])(C[5,6a]C[6a]C[5])(C[5]C[5]CC){2|C<3>,2|O<2>,3|C<4>,3|H<1>}	102.4375	1.234	2	102.4375	1.523	2	102.2881	0.222	14	102.2673	0.873	224	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	P[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(CH3)2	C[5](P[5]C[5,6a]IrC)(C[5]C[5,6a]CC)(H)2	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(CH3)2{1|Ir<4>,1|C<4>,1|H<1>,2|C<3>}	C[5](P[5]C[5,6a]IrC)(C[5]C[5,6a]CC)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Ir<4>,1|C<3>,2|H<1>,3|C<4>}	105.5550	0.958	3	105.4567	0.651	4	105.8100	0.795	6	102.2673	0.873	224	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	P[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(CH3)2	C[5](P[5]C[5,6a]IrC)(C[5]C[5,6a]CC)(H)2	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(CH3)2{1|Ir<4>,1|H<1>,3|C<3>}	C[5](P[5]C[5,6a]IrC)(C[5]C[5,6a]CC)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Ir<4>,2|C<3>,2|C<4>,2|H<1>}	105.1620	0.000	1	105.4567	0.651	4	105.8100	0.795	6	102.2673	0.873	224	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	P[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(CH3)2	C[5](P[5]C[5,6a]Mo2)(C[5]C[5,6a]CC)(H)2	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(CH3)2{2|Mo<9>,1|H<1>,2|C<3>}	C[5](P[5]C[5,6a]Mo2)(C[5]C[5,6a]CC)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|Mo<9>,1|C<3>,2|C<4>,2|H<1>}	106.0040	0.000	1	106.0040	0.000	1	105.8100	0.795	6	102.2673	0.873	224	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	P[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(CH3)2	C[5](P[5]C[5,6a]PdC)(C[5]C[5,6a]CC)(H)2	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(CH3)2{1|Pd<4>,1|C<4>,1|H<1>,2|C<3>}	C[5](P[5]C[5,6a]PdC)(C[5]C[5,6a]CC)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Pd<4>,1|C<3>,2|H<1>,3|C<4>}	107.0290	0.000	1	107.0290	0.000	1	105.8100	0.795	6	102.2673	0.873	224	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[6]-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]2H)(CCHH)	C[5](C[5]C[5,6a]C[6]C)(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]2H)(CCHH){2|C<3>,2|O<1>,2|O<2>,3|H<1>}	C[5](C[5]C[5,6a]C[6]C)(C[5]C[5,6a]HH)(H)2{1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]C)(C[6a]C[6a]H){1|Cl<1>,3|C<3>,6|H<1>}	103.3270	0.000	1	103.3270	0.000	1	103.3270	0.000	1	103.3270	0.000	1	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:4:	4:4:3:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:N[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CH3)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]HH)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CH3)2{3|H<1>,4|C<3>}	C[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[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,5|H<1>}	100.3160	0.000	1	100.3160	0.000	1	100.3160	0.000	1	100.3160	0.000	1	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:4:	4:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCCH)(CHHN)	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HH)(CH3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCCH)(CHHN){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HH)(CH3)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,5|H<1>}	101.8870	0.000	1	101.8870	0.000	1	101.8810	0.065	4	101.8810	0.065	4	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:4:	4:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)2	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]CH)(CH3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]CH)(CH3)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	101.5290	0.000	1	101.5290	0.000	1	101.8810	0.065	4	101.8810	0.065	4	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	3:4:4:4:	4:4:4:1:	3:3:4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CHHO)2	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HH)(CHHO)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CHHO)2{2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HH)(CHHO)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,5|H<1>}	102.0540	0.106	2	102.0540	0.011	2	101.8810	0.065	4	101.8810	0.065	4	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	4:3:1:1:	6:4:4:2:	3:3:4:	C[5]-4:C[5,6a]-3:H-1:H-1:	C[5x3,5x5,20x6]-6:C[5]-4:C[5]-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5x3,5x5,20x6]C[5]O)(C[5,6a]C[5,6a]C[6a])(H)2	C[5](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]C[5,6a]HH)2(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5](C[5]C[5x3,5x5,20x6]C[5]O)(C[5,6a]C[5,6a]C[6a])(H)2{1|C<6>,2|C<3>,3|H<1>,4|B<6>}	C[5](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]C[5,6a]HH)2(OH){2|C<3>,5|B<6>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<6>,1|O<2>,4|H<1>}	102.5310	0.132	2	102.5310	0.017	2	102.5310	0.017	2	102.5310	0.017	2	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	4:3:4:1:	4:2:3:1:	3:3:4:	C[5]-4:C[5,6a]-3:C[5]-4:H-1:	C[5]-4:O[5]-2:N-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,6a]N[5a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]O[5]HN)(H)	C[5](C[5]C[5,6a]C[5]H)(O[5]C[5,6a])(NOO)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5](C[5]C[5,6a]N[5a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]O[5]HN)(H){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[5](C[5]C[5,6a]C[5]H)(O[5]C[5,6a])(NOO)(H){1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|Cl<1>,2|H<1>,2|N<3>,3|C<3>}	99.8608	0.111	2	99.8608	0.012	2	99.8608	0.012	2	99.8608	0.012	2	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	5:SP3_SP2_SP3	C[5]	C[5]	C[5,6a]	5:3:4:1:	4:4:2:1:	4:3:3:	C[3x3,4,3x5,14x6]-5:C[5,6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H)	C[5](C[5]C[3x3,4,3x5,14x6]C[5,6a]H)(C[5]C[5,6a]HH)(OH)(H)	C[5,6a](C[5]C[3x3,4,3x5,14x6]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(H){1|C<5>,2|C<3>,5|B<6>,7|H<1>}	C[5](C[5]C[3x3,4,3x5,14x6]C[5,6a]H)(C[5]C[5,6a]HH)(OH)(H){2|C<3>,4|B<6>}	C[5,6a](C[5]C[3x3,4,3x5,14x6]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,4|B<6>,5|H<1>}	102.3500	0.000	1	102.3500	0.000	1	102.3500	0.000	1	102.3500	0.000	1	103.3863	2.675	2299	102.8068	3.766	5064
474	474	727	6:SP3_SP2_SP3	C[3x5,6]	C[5,5,6]	C[5,6,6a]	3:4:2:4:	4:4:4:1:	4:3:3:	C[5,6,6a]-3:C[5,5,6]-4:O[5,5]-2:C[5]-4:	C[3x5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[3x5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[3x5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5]C[5]HH)	C[5,5,6](C[3x5,6]C[5,6,6a]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(H)	C[5,6,6a](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[3x5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])(C[5]C[5]HH){1|C<4>,2|C<3>,7|H<1>}	C[5,5,6](C[3x5,6]C[5,6,6a]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,6,6a](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<3>,4|C<4>,5|H<1>}	108.7065	0.609	2	108.7065	0.371	2	108.7065	0.371	2	108.7065	0.371	2	108.7065	0.371	2	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[3x5,6]	C[5,6]	C[5,5a,6]	3:4:4:4:	4:4:1:1:	4:3:3:	C[5,5a,6]-3:C[3x5]-4:C[5,6]-4:C[5]-4:	C[3x5,6]-4:C[5,6]-4:H-1:H-1:	C[3x5,6]-4:C[5,5a,6]-3:C[5a]-3:	C[3x5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[3x5]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH)	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[5,5a,6](C[3x5,6]C[3x5]C[5,6]C[5])(C[5,5a,6]C[5,5,6]C[5a])(C[5a]N[5a]H)	C[3x5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[3x5]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(C[5]C[5]HH){1|N<3>,3|C<3>,6|H<1>}	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[5,5a,6](C[3x5,6]C[3x5]C[5,6]C[5])(C[5,5a,6]C[5,5,6]C[5a])(C[5a]N[5a]H){1|C<3>,1|S<4>,3|C<4>,6|H<1>}	106.3210	0.966	2	106.3210	0.933	2	106.3210	0.933	2	106.3210	0.933	2	106.3210	0.933	2	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[3x5,6]	C[5,6]	C[5,6,6a]	3:3:3:4:	4:4:2:2:	3:4:3:	C[5,6,6a]-3:C[5,6]-3:C[3x5]-3:C[5,6]-4:	C[3x5,6]-4:C[5,6]-4:C-2:C-2:	C[5,6,6a]-3:C[3x5,6]-4:C[6a,6a]-3:	C[3x5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6]C[6,6a]C[5,6])(C[3x5]C[5,5,6]C[5])(C[5,6]C[5,6]CC)	C[5,6](C[3x5,6]C[5,6,6a]C[3x5]C[5,6])(C[5,6]C[5,5,6]CC)(CN)2	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[3x5,6]C[3x5]C[5,6]2)(C[6a,6a]C[6a,6a]C[6a])	C[3x5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6]C[6,6a]C[5,6])(C[3x5]C[5,5,6]C[5])(C[5,6]C[5,6]CC){1|Si<4>,1|C<4>,1|H<1>,2|C<2>,5|C<3>}	C[5,6](C[3x5,6]C[5,6,6a]C[3x5]C[5,6])(C[5,6]C[5,5,6]CC)(CN)2{1|H<1>,5|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[3x5,6]C[3x5]C[5,6]2)(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,2|C<2>,3|H<1>,6|C<3>}	105.5050	0.000	1	105.5050	0.000	1	105.5050	0.000	1	105.5050	0.000	1	105.5050	0.000	1	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,3x6]	C[5,3x6]	C[5,6,6a]	3:3:4:2:	3:3:4:2:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,3x6]-4:C[6]-2:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,3x6]-4:C[6]-2:	C[5,6a,6a]-3:C[5a,6,6a]-3:C[5,3x6]-4:	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])(C[6]C[6])	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])(C[6]C[6])	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,3x6]C[5,6,6a]C[5,3x6]C[6])	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])(C[6]C[6]){1|C<4>,8|C<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]2C[6])(C[6]C[6]){1|C<2>,2|S<2>,8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,3x6]C[5,6,6a]C[5,3x6]C[6]){2|C<2>,8|C<3>}	113.9930	0.000	1	113.9930	0.000	1	113.9930	0.000	1	113.9930	0.000	1	113.6349	0.608	36	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,3x6]	C[5,3x6]	C[5,6,6a]	3:3:4:2:	3:3:4:2:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,3x6]-4:C[6]-2:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,3x6]-4:C[6]-2:	C[5,6a,6a]-3:C[5,3x6]-4:C[5,6,6a]-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]2C[6])(C[6]C[6])	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])(C[6]C[6])	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,3x6]C[5,6,6a]C[5,3x6]C[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	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])(C[6]C[6]){1|C<2>,2|S<2>,8|C<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]2C[6])(C[6]C[6]){1|C<4>,8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,3x6]C[5,6,6a]C[5,3x6]C[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){1|C<2>,1|C<4>,8|C<3>}	114.0850	0.000	1	114.0850	0.000	1	114.0850	0.000	1	113.5650	0.541	2	113.6349	0.608	36	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,3x6]	C[5,3x6]	C[5,6,6a]	3:3:4:2:	3:3:4:2:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,3x6]-4:C[6]-2:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,3x6]-4:C[6]-2:	C[5a,6,6a]-3:C[5,3x6]-4:C[5,6a,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]2C[6])(C[6]C[6])	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])(C[6]C[6])	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,3x6]C[5,6,6a]C[5,3x6]C[6])(C[5,6a,6a]C[5,6a,6a]2)	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])(C[6]C[6]){1|C<2>,2|S<2>,8|C<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]2C[6])(C[6]C[6]){1|C<4>,8|C<3>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,3x6]C[5,6,6a]C[5,3x6]C[6])(C[5,6a,6a]C[5,6a,6a]2){1|C<2>,1|C<4>,8|C<3>}	113.0450	0.000	1	113.0450	0.000	1	113.0450	0.000	1	113.5650	0.541	2	113.6349	0.608	36	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,3x6]	C[5,3x6]	C[5,6,6a]	3:3:4:2:	3:3:4:2:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,3x6]-4:C[6]-2:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,3x6]-4:C[6]-2:	C[5,3x6]-4:C[5,6,6a]-3:C[5,6a,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]2C[6])(C[6]C[6])	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])(C[6]C[6])	C[5,6,6a](C[5,3x6]C[5,6,6a]C[5,3x6]C[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	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])(C[6]C[6]){1|C<4>,8|C<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]2C[6])(C[6]C[6]){1|C<2>,2|S<2>,8|C<3>}	C[5,6,6a](C[5,3x6]C[5,6,6a]C[5,3x6]C[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){2|C<2>,8|C<3>}	113.4810	0.000	1	113.4810	0.000	1	113.4810	0.000	1	113.4810	0.000	1	113.6349	0.608	36	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,3x6]	C[5,3x6]	C[5,6,6a]	3:3:4:2:	3:3:4:3:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,3x6]-4:N[6]-2:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,3x6]-4:C[6]-3:	C[5,6a,6a]-3:C[5a,6,6a]-3:C[5,3x6]-4:	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])(N[6]C[5a,6])	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]C[5a,6]H)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,3x6]C[5,6,6a]C[5,3x6]N[6])	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])(N[6]C[5a,6]){10|C<3>,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]2N[6])(C[6]C[5a,6]H){1|N<3>,9|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,3x6]C[5,6,6a]C[5,3x6]N[6]){10|C<3>}	112.9220	0.000	1	112.9220	0.000	1	112.9220	0.000	1	112.9220	0.000	1	113.6349	0.608	36	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,3x6]	C[5,3x6]	C[5,6,6a]	3:3:4:2:	3:3:4:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,3x6]-4:N[6]-2:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,3x6]-4:C[6]-3:	C[5,6a,6a]-3:C[5,3x6]-4:C[5,6,6a]-3:	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,3x6]C[5,6,6a]2C[6])(N[6]C[5a,6])	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,3x6]C[5,6,6a]2N[6])(C[6]C[5a,6]H)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,3x6]C[5,6,6a]C[5,3x6]N[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,3x6]C[5,6,6a]2C[6])(N[6]C[5a,6]){10|C<3>,1|H<1>}	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,3x6]C[5,6,6a]2N[6])(C[6]C[5a,6]H){1|N<3>,9|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,3x6]C[5,6,6a]C[5,3x6]N[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){10|C<3>}	113.6700	0.000	1	113.6700	0.000	1	113.6700	0.000	1	113.6700	0.000	1	113.6349	0.608	36	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,3x6]	C[5,3x6]	C[5,6,6a]	3:3:4:2:	3:3:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,3x6]-4:N[6]-2:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,3x6]-4:C[6]-3:	C[5,3x6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,3x6]C[5,6,6a]2C[6])(N[6]C[5a,6])	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,3x6]C[5,6,6a]2N[6])(C[6]C[5a,6]H)	C[5,6,6a](C[5,3x6]C[5,6,6a]C[5,3x6]N[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,3x6]C[5,6,6a]2C[6])(N[6]C[5a,6]){10|C<3>,1|H<1>}	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,3x6]C[5,6,6a]2N[6])(C[6]C[5a,6]H){1|N<3>,9|C<3>}	C[5,6,6a](C[5,3x6]C[5,6,6a]C[5,3x6]N[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){10|C<3>}	113.6880	0.000	1	113.6880	0.000	1	113.7570	0.010	2	113.7570	0.010	2	113.6349	0.608	36	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,3x6]	C[5,3x6]	C[5,6,6a]	3:3:4:2:	3:3:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,3x6]-4:N[6]-2:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,3x6]-4:C[6]-3:	C[5,3x6]-4:C[5,6,6a]-3:C[5,6a,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]2C[6])(N[6]C[5a,6])	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]C[5a,6]H)	C[5,6,6a](C[5,3x6]C[5,6,6a]C[5,3x6]N[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	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])(N[6]C[5a,6]){10|C<3>,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]2N[6])(C[6]C[5a,6]H){1|N<3>,9|C<3>}	C[5,6,6a](C[5,3x6]C[5,6,6a]C[5,3x6]N[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){10|C<3>}	113.8260	0.000	1	113.8260	0.000	1	113.7570	0.010	2	113.7570	0.010	2	113.6349	0.608	36	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,3x6]	C[5,3x6]	C[5,6,6a]	3:3:4:3:	3:3:4:2:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,3x6]-4:C[6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,3x6]-4:N[6]-2:	C[5,6a,6a]-3:C[5,3x6]-4:C[5,6,6a]-3:	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,3x6]C[5,6,6a]2N[6])(C[6]C[5a,6]H)	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,3x6]C[5,6,6a]2C[6])(N[6]C[5a,6])	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,3x6]C[5,6,6a]C[5,3x6]C[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,3x6]C[5,6,6a]2N[6])(C[6]C[5a,6]H){1|N<3>,9|C<3>}	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,3x6]C[5,6,6a]2C[6])(N[6]C[5a,6]){10|C<3>,1|H<1>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,3x6]C[5,6,6a]C[5,3x6]C[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){1|H<1>,1|N<2>,9|C<3>}	113.5520	0.000	1	113.5520	0.000	1	113.5520	0.000	1	114.1605	0.741	2	113.6349	0.608	36	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,3x6]	C[5,3x6]	C[5,6,6a]	3:3:4:3:	3:3:4:2:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,3x6]-4:C[6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,3x6]-4:N[6]-2:	C[5a,6,6a]-3:C[5,3x6]-4:C[5,6a,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]C[5a,6]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]2C[6])(N[6]C[5a,6])	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,3x6]C[5,6,6a]C[5,3x6]C[6])(C[5,6a,6a]C[5,6a,6a]2)	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]C[5a,6]H){1|N<3>,9|C<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]2C[6])(N[6]C[5a,6]){10|C<3>,1|H<1>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,3x6]C[5,6,6a]C[5,3x6]C[6])(C[5,6a,6a]C[5,6a,6a]2){1|H<1>,1|N<2>,9|C<3>}	114.7690	0.000	1	114.7690	0.000	1	114.7690	0.000	1	114.1605	0.741	2	113.6349	0.608	36	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,3x6]	C[5,3x6]	C[5,6,6a]	3:3:4:3:	3:3:4:2:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,3x6]-4:C[6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,3x6]-4:N[6]-2:	C[5,3x6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,3x6]C[5,6,6a]2N[6])(C[6]C[5a,6]H)	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,3x6]C[5,6,6a]2C[6])(N[6]C[5a,6])	C[5,6,6a](C[5,3x6]C[5,6,6a]C[5,3x6]C[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,3x6]C[5,6,6a]2N[6])(C[6]C[5a,6]H){1|N<3>,9|C<3>}	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,3x6]C[5,6,6a]2C[6])(N[6]C[5a,6]){10|C<3>,1|H<1>}	C[5,6,6a](C[5,3x6]C[5,6,6a]C[5,3x6]C[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|H<1>,1|N<2>,9|C<3>}	113.6790	0.000	1	113.6790	0.000	1	113.5395	0.039	2	113.5395	0.039	2	113.6349	0.608	36	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,3x6]	C[5,3x6]	C[5,6,6a]	3:3:4:3:	3:3:4:2:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,3x6]-4:C[6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,3x6]-4:N[6]-2:	C[5,3x6]-4:C[5,6,6a]-3:C[5,6a,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]C[5a,6]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]2C[6])(N[6]C[5a,6])	C[5,6,6a](C[5,3x6]C[5,6,6a]C[5,3x6]C[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	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]C[5a,6]H){1|N<3>,9|C<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]2C[6])(N[6]C[5a,6]){10|C<3>,1|H<1>}	C[5,6,6a](C[5,3x6]C[5,6,6a]C[5,3x6]C[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|H<1>,1|N<2>,9|C<3>}	113.4000	0.000	1	113.4000	0.000	1	113.5395	0.039	2	113.5395	0.039	2	113.6349	0.608	36	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,3x6]	C[5,3x6]	C[5,6,6a]	3:3:4:3:	3:3:4:3:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,3x6]-4:N[6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,3x6]-4:C[6,6a]-3:	C[5,6a,6a]-3:C[5a,6,6a]-3:C[5,3x6]-4:	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[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[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,3x6]C[5,6,6a]C[5,3x6]N[6])	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[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[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,3x6]C[5,6,6a]C[5,3x6]N[6]){10|C<3>,1|C<4>}	113.3990	0.000	1	113.3990	0.000	1	113.3990	0.000	1	113.3990	0.000	1	113.6349	0.608	36	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,3x6]	C[5,3x6]	C[5,6,6a]	3:3:4:3:	3:3:4:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,3x6]-4:N[6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,3x6]-4:C[6,6a]-3:	C[5,6a,6a]-3:C[5,3x6]-4:C[5,6,6a]-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]2C[6,6a])(N[6]C[6]C)	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[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,3x6]C[5,6,6a]C[5,3x6]N[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	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){10|C<3>,1|O<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]2N[6])(C[6,6a]C[6,6a]C[6a]){11|C<3>,1|C<4>,1|H<1>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,3x6]C[5,6,6a]C[5,3x6]N[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){10|C<3>,1|C<4>}	112.9700	0.000	1	112.9700	0.000	1	112.9700	0.000	1	112.9700	0.000	1	113.6349	0.608	36	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,3x6]	C[5,3x6]	C[5,6,6a]	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[5,6a,6a]-3:C[5,6,6a]-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[5,6,6a](C[5,3x6]C[5,6,6a]C[5,3x6]C[6,6a])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[5,3x6](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[5,6,6a](C[5,3x6]C[5,6,6a]C[5,3x6]C[6,6a])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){10|C<3>,1|N<3>}	113.9960	0.000	1	113.9960	0.000	1	113.9960	0.000	1	113.7615	0.110	2	113.6349	0.608	36	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,3x6]	C[5,3x6]	C[5,6,6a]	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[5,6a,6a]-3:C[5a,6,6a]-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[5,6,6a](C[5,3x6]C[5,6,6a]C[5,3x6]C[6,6a])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])	C[5,3x6](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[5,6,6a](C[5,3x6]C[5,6,6a]C[5,3x6]C[6,6a])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a]){10|C<3>,1|N<3>}	113.5270	0.000	1	113.5270	0.000	1	113.5270	0.000	1	113.7615	0.110	2	113.6349	0.608	36	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,3x6]	C[5,3x6]	C[5,6,6a]	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[5,6,6a]-3:C[5,6a,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[5,6,6a](C[5,3x6]C[5,6,6a]C[5,3x6]C[6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	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[5,6,6a](C[5,3x6]C[5,6,6a]C[5,3x6]C[6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){12|C<3>}	111.0905	0.064	2	111.0905	0.004	2	111.0905	0.004	2	111.0905	0.004	2	113.6349	0.608	36	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,3x6]	C[5,3x6]	C[5,6,6a]	3:3:4:4:	3:3:4:4:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,3x6]-4:C[6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,3x6]-4:C[6]-4:	C[5,6a,6a]-3:C[5a,6,6a]-3:C[5,3x6]-4:	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])(C[6]C[6,6a]HH)	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])(C[6]C[6,6a]HH)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,3x6]C[5,6,6a]C[5,3x6]C[6])	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])(C[6]C[6,6a]HH){10|C<3>,2|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])(C[6]C[6,6a]HH){10|C<3>,2|H<1>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,3x6]C[5,6,6a]C[5,3x6]C[6]){1|C<4>,2|H<1>,9|C<3>}	113.8670	0.141	2	113.8670	0.020	2	113.7590	0.045	3	113.7590	0.045	3	113.6349	0.608	36	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,3x6]	C[5,3x6]	C[5,6,6a]	3:3:4:4:	3:3:4:4:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,3x6]-4:C[6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,3x6]-4:C[6]-4:	C[5,6a,6a]-3:C[5a,6,6a]-3:C[5,3x6]-4:	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,3x6]C[5,6,6a]2C[6])(C[6]C[6,6a]HH)	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,3x6]C[5,6,6a]2C[6])(C[6]C[6,6a]HH)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,3x6]C[5,6,6a]C[5,3x6]C[6])	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,3x6]C[5,6,6a]2C[6])(C[6]C[6,6a]HH){10|C<3>,2|H<1>}	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,3x6]C[5,6,6a]2C[6])(C[6]C[6,6a]HH){10|C<3>,2|H<1>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,3x6]C[5,6,6a]C[5,3x6]C[6]){1|C<4>,2|H<1>,9|C<3>}	113.5430	0.000	1	113.5430	0.000	1	113.7590	0.045	3	113.7590	0.045	3	113.6349	0.608	36	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,3x6]	C[5,3x6]	C[5,6,6a]	3:3:4:4:	3:3:4:4:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,3x6]-4:C[6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,3x6]-4:C[6]-4:	C[5,6a,6a]-3:C[5,3x6]-4:C[5,6,6a]-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]2C[6])(C[6]C[6,6a]HH)	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])(C[6]C[6,6a]HH)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,3x6]C[5,6,6a]C[5,3x6]C[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	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])(C[6]C[6,6a]HH){10|C<3>,2|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])(C[6]C[6,6a]HH){10|C<3>,2|H<1>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,3x6]C[5,6,6a]C[5,3x6]C[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){1|C<4>,2|H<1>,9|C<3>}	114.0355	0.528	2	114.0355	0.279	2	114.0355	0.279	2	113.9748	0.118	5	113.6349	0.608	36	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,3x6]	C[5,3x6]	C[5,6,6a]	3:3:4:4:	3:3:4:4:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,3x6]-4:C[6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,3x6]-4:C[6]-4:	C[5a,6,6a]-3:C[5,3x6]-4:C[5,6a,6a]-3:	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,3x6]C[5,6,6a]2C[6])(C[6]C[6,6a]HH)	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,3x6]C[5,6,6a]2C[6])(C[6]C[6,6a]HH)	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,3x6]C[5,6,6a]C[5,3x6]C[6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,3x6]C[5,6,6a]2C[6])(C[6]C[6,6a]HH){10|C<3>,2|H<1>}	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,3x6]C[5,6,6a]2C[6])(C[6]C[6,6a]HH){10|C<3>,2|H<1>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,3x6]C[5,6,6a]C[5,3x6]C[6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,2|H<1>,9|C<3>}	113.9343	0.302	3	113.9343	0.091	3	113.9343	0.091	3	113.9748	0.118	5	113.6349	0.608	36	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,3x6]	C[5,3x6]	C[5,6,6a]	3:3:4:4:	3:3:4:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,3x6]-4:C[6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,3x6]-4:C[6]-4:	C[5,3x6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,3x6]C[5,6,6a]2C[6])(C[6]C[6]FF)	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,3x6]C[5,6,6a]2C[6])(C[6]C[6]FF)	C[5,6,6a](C[5,3x6]C[5,6,6a]C[5,3x6]C[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,3x6]C[5,6,6a]2C[6])(C[6]C[6]FF){1|C<4>,4|F<1>,8|C<3>}	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,3x6]C[5,6,6a]2C[6])(C[6]C[6]FF){1|C<4>,4|F<1>,8|C<3>}	C[5,6,6a](C[5,3x6]C[5,6,6a]C[5,3x6]C[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,2|F<1>,8|C<3>}	114.0925	0.240	2	114.0925	0.057	2	114.0113	0.028	4	114.0113	0.028	4	113.6349	0.608	36	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,3x6]	C[5,3x6]	C[5,6,6a]	3:3:4:4:	3:3:4:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,3x6]-4:C[6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,3x6]-4:C[6]-4:	C[5,3x6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,3x6]C[5,6,6a]2C[6])(C[6]C[6]FF)	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,3x6]C[5,6,6a]2C[6])(C[6]C[6]FF)	C[5,6,6a](C[5,3x6]C[5,6,6a]C[5,3x6]C[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,3x6]C[5,6,6a]2C[6])(C[6]C[6]FF){1|C<4>,4|F<1>,8|C<3>}	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,3x6]C[5,6,6a]2C[6])(C[6]C[6]FF){1|C<4>,4|F<1>,8|C<3>}	C[5,6,6a](C[5,3x6]C[5,6,6a]C[5,3x6]C[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a]){2|C<4>,2|F<1>,8|C<3>}	113.9300	0.010	2	113.9300	0.000	2	114.0113	0.028	4	114.0113	0.028	4	113.6349	0.608	36	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,3x6]	C[5,3x6]	C[5,6,6a]	3:3:4:4:	4:3:3:4:	3:4:3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,3x6]-4:C[6]-4:	C[5,3x6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[6]-4:	C[5a,6,6a]-3:C[5,3x6]-4:C[5,6,6a]-3:	C[5,3x6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,6,6]C[5,3x6]C[5,6,6])(C[5,3x6]C[5,6,6a]2C[6])(C[6]C[6,6a]HH)	C[5,3x6](C[5,3x6]C[5,6,6a]C[5,6,6]C[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[6]C[6,6a]HH)	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,3x6]C[5,3x6]C[5,6,6]C[6])(C[5,6,6a]C[5,6,6a]C[5,3x6])	C[5,3x6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,6,6]C[5,3x6]C[5,6,6])(C[5,3x6]C[5,6,6a]2C[6])(C[6]C[6,6a]HH){2|C<4>,2|H<1>,9|C<3>}	C[5,3x6](C[5,3x6]C[5,6,6a]C[5,6,6]C[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[6]C[6,6a]HH){1|C<4>,2|H<1>,9|C<3>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,3x6]C[5,3x6]C[5,6,6]C[6])(C[5,6,6a]C[5,6,6a]C[5,3x6]){2|H<1>,3|C<4>,8|C<3>}	113.1190	0.000	1	113.1190	0.000	1	113.1190	0.000	1	113.1190	0.000	1	113.6349	0.608	36	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,3x6]	C[5,3x6]	C[5,6,6a]	3:4:3:4:	4:3:3:4:	4:3:3:	C[5,6,6]-3:C[5,3x6]-4:C[5,6,6a]-3:C[6]-4:	C[5,3x6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[6]-4:	C[5,3x6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,3x6](C[5,6,6]C[5,3x6]C[5,6,6])(C[5,3x6]C[5,6,6a]2C[6])(C[5,6,6a]C[5,6,6a]2)(C[6]C[6,6a]HH)	C[5,3x6](C[5,3x6]C[5,6,6a]C[5,6,6]C[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6]C[6,6a]HH)	C[5,6,6a](C[5,3x6]C[5,3x6]C[5,6,6]C[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5a,6,6a]C[5,3x6])	C[5,3x6](C[5,6,6]C[5,3x6]C[5,6,6])(C[5,3x6]C[5,6,6a]2C[6])(C[5,6,6a]C[5,6,6a]2)(C[6]C[6,6a]HH){2|C<4>,2|H<1>,9|C<3>}	C[5,3x6](C[5,3x6]C[5,6,6a]C[5,6,6]C[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6]C[6,6a]HH){1|C<4>,2|H<1>,9|C<3>}	C[5,6,6a](C[5,3x6]C[5,3x6]C[5,6,6]C[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5a,6,6a]C[5,3x6]){2|H<1>,3|C<4>,8|C<3>}	112.9090	0.000	1	112.9090	0.000	1	112.9090	0.000	1	112.9090	0.000	1	113.6349	0.608	36	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,3x6]	C[5,3x6]	C[5,6,6a]	4:3:3:4:	3:3:4:4:	3:3:4:	C[5,3x6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[6]-4:	C[5,6,6a]-3:C[5,6,6]-3:C[5,3x6]-4:C[6]-4:	C[5,6a,6a]-3:C[5a,6,6a]-3:C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[5,6,6a]C[5,6,6]C[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[6]C[6,6a]HH)	C[5,3x6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,6,6]C[5,3x6]C[5,6,6])(C[5,3x6]C[5,6,6a]2C[6])(C[6]C[6,6a]HH)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,3x6]C[5,6,6a]C[5,3x6]C[6])	C[5,3x6](C[5,3x6]C[5,6,6a]C[5,6,6]C[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[6]C[6,6a]HH){1|C<4>,2|H<1>,9|C<3>}	C[5,3x6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,6,6]C[5,3x6]C[5,6,6])(C[5,3x6]C[5,6,6a]2C[6])(C[6]C[6,6a]HH){2|C<4>,2|H<1>,9|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,3x6]C[5,6,6a]C[5,3x6]C[6]){1|C<4>,2|H<1>,9|C<3>}	114.3220	0.000	1	114.3220	0.000	1	114.3220	0.000	1	114.3220	0.000	1	113.6349	0.608	36	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,3x6]	C[5,3x6]	C[5,6,6a]	4:3:3:4:	3:3:4:4:	4:3:3:	C[5,3x6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[6]-4:	C[5,6,6a]-3:C[5,6,6]-3:C[5,3x6]-4:C[6]-4:	C[5,3x6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,3x6](C[5,3x6]C[5,6,6a]C[5,6,6]C[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[6]C[6,6a]HH)	C[5,3x6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,6,6]C[5,3x6]C[5,6,6])(C[5,3x6]C[5,6,6a]2C[6])(C[6]C[6,6a]HH)	C[5,6,6a](C[5,3x6]C[5,6,6a]C[5,3x6]C[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,3x6](C[5,3x6]C[5,6,6a]C[5,6,6]C[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[6]C[6,6a]HH){1|C<4>,2|H<1>,9|C<3>}	C[5,3x6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,6,6]C[5,3x6]C[5,6,6])(C[5,3x6]C[5,6,6a]2C[6])(C[6]C[6,6a]HH){2|C<4>,2|H<1>,9|C<3>}	C[5,6,6a](C[5,3x6]C[5,6,6a]C[5,3x6]C[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,2|H<1>,9|C<3>}	113.9290	0.000	1	113.9290	0.000	1	113.9290	0.000	1	113.9290	0.000	1	113.6349	0.608	36	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,3x6]	C[5,3x6]	C[5,6,6a]	4:3:3:4:	3:4:3:4:	4:3:3:	C[5,3x6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[6]-4:	C[5,6,6]-3:C[5,3x6]-4:C[5,6,6a]-3:C[6]-4:	C[5,3x6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,3x6](C[5,3x6]C[5,6,6a]C[5,6,6]C[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6]C[6,6a]HH)	C[5,3x6](C[5,6,6]C[5,3x6]C[5,6,6])(C[5,3x6]C[5,6,6a]2C[6])(C[5,6,6a]C[5,6,6a]2)(C[6]C[6,6a]HH)	C[5,6,6a](C[5,3x6]C[5,6,6a]C[5,3x6]C[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,3x6](C[5,3x6]C[5,6,6a]C[5,6,6]C[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6]C[6,6a]HH){1|C<4>,2|H<1>,9|C<3>}	C[5,3x6](C[5,6,6]C[5,3x6]C[5,6,6])(C[5,3x6]C[5,6,6a]2C[6])(C[5,6,6a]C[5,6,6a]2)(C[6]C[6,6a]HH){2|C<4>,2|H<1>,9|C<3>}	C[5,6,6a](C[5,3x6]C[5,6,6a]C[5,3x6]C[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,2|H<1>,9|C<3>}	114.4730	0.000	1	114.4730	0.000	1	114.5990	0.032	2	114.5990	0.032	2	113.6349	0.608	36	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,3x6]	C[5,3x6]	C[5,6,6a]	4:3:3:4:	3:4:3:4:	4:3:3:	C[5,3x6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[6]-4:	C[5,6,6]-3:C[5,3x6]-4:C[5,6,6a]-3:C[6]-4:	C[5,3x6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,3x6](C[5,3x6]C[5,6,6a]C[5,6,6]C[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6]C[6,6a]HH)	C[5,3x6](C[5,6,6]C[5,3x6]C[5,6,6])(C[5,3x6]C[5,6,6a]2C[6])(C[5,6,6a]C[5,6,6a]2)(C[6]C[6,6a]HH)	C[5,6,6a](C[5,3x6]C[5,6,6a]C[5,3x6]C[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,3x6](C[5,3x6]C[5,6,6a]C[5,6,6]C[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6]C[6,6a]HH){1|C<4>,2|H<1>,9|C<3>}	C[5,3x6](C[5,6,6]C[5,3x6]C[5,6,6])(C[5,3x6]C[5,6,6a]2C[6])(C[5,6,6a]C[5,6,6a]2)(C[6]C[6,6a]HH){2|C<4>,2|H<1>,9|C<3>}	C[5,6,6a](C[5,3x6]C[5,6,6a]C[5,3x6]C[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,2|H<1>,9|C<3>}	114.7250	0.000	1	114.7250	0.000	1	114.5990	0.032	2	114.5990	0.032	2	113.6349	0.608	36	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,3x6]	C[5,6,6]	C[5a,6,6]	3:4:4:4:	4:4:4:1:	4:3:3:	C[5a,6,6]-3:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[3,5,6]-4:C[6]-4:H-1:	C[5,3x6]-4:C[5a,6,6]-3:N[5a]-3:	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[5,6,6](C[5,3x6]C[5a,6,6]C[5,6]C[6])(C[3,5,6]C[3,5,6]C[3,6,6]H)(C[6]C[6]HH)(H)	C[5a,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5a,6,6]C[3,6,6]C[5a])(N[5a]C[5a]C)	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[5,6,6](C[5,3x6]C[5a,6,6]C[5,6]C[6])(C[3,5,6]C[3,5,6]C[3,6,6]H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C[5a,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5a,6,6]C[3,6,6]C[5a])(N[5a]C[5a]C){1|C<3>,1|N<3>,4|C<4>,6|H<1>}	105.1990	0.000	1	105.1990	0.000	1	105.1990	0.000	1	105.1990	0.000	1	105.1990	0.000	1	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,3x6]	C[5,6]	C[5a,6,6]	3:4:4:4:	4:4:3:1:	4:3:3:	C[5a,6,6]-3:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,3x6]-4:C[3,5,6]-4:C[6a]-3:H-1:	C[5,3x6]-4:C[5a,6,6]-3:N[5a]-3:	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[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[5a,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5a,6,6]C[3,6,6]C[5a])(N[5a]C[5a]C)	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[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[5a,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5a,6,6]C[3,6,6]C[5a])(N[5a]C[5a]C){1|C<3>,1|N<3>,4|C<4>,6|H<1>}	105.3920	0.000	1	105.3920	0.000	1	105.3920	0.000	1	105.3920	0.000	1	105.3920	0.000	1	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,4x6]	C[5,4x6]	C[5,6,6a]	3:3:4:3:	3:3:4:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,4x6]-4:N[3x6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,4x6]-4:N[3x6]-4:	C[5,4x6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,4x6](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[5,4x6]C[5,6,6a]2N[3x6])(N[3x6]C[6,6]2)	C[5,4x6](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[5,4x6]C[5,6,6a]2N[3x6])(N[3x6]C[6,6]2H)	C[5,6,6a](C[5,4x6]C[5,6,6a]C[5,4x6]N[3x6])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[5,4x6](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[5,4x6]C[5,6,6a]2N[3x6])(N[3x6]C[6,6]2){2|C<4>,5|H<1>,8|C<3>}	C[5,4x6](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[5,4x6]C[5,6,6a]2N[3x6])(N[3x6]C[6,6]2H){2|C<4>,4|H<1>,8|C<3>}	C[5,6,6a](C[5,4x6]C[5,6,6a]C[5,4x6]N[3x6])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){1|N<4>,2|C<4>,8|C<3>}	113.7210	0.000	1	113.7210	0.000	1	113.7210	0.000	1	113.1860	0.153	4	114.2129	0.547	30	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,4x6]	C[5,4x6]	C[5,6,6a]	3:3:4:3:	3:3:4:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,4x6]-4:N[3x6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,4x6]-4:N[3x6]-4:	C[5,4x6]-4:C[5,6a,6a]-3:C[5a,6,6a]-3:	C[5,4x6](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[5,4x6]C[5,6,6a]2N[3x6])(N[3x6]C[6,6]2)	C[5,4x6](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[5,4x6]C[5,6,6a]2N[3x6])(N[3x6]C[6,6]2H)	C[5,6,6a](C[5,4x6]C[5,6,6a]C[5,4x6]N[3x6])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])	C[5,4x6](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[5,4x6]C[5,6,6a]2N[3x6])(N[3x6]C[6,6]2){2|C<4>,5|H<1>,8|C<3>}	C[5,4x6](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[5,4x6]C[5,6,6a]2N[3x6])(N[3x6]C[6,6]2H){2|C<4>,4|H<1>,8|C<3>}	C[5,6,6a](C[5,4x6]C[5,6,6a]C[5,4x6]N[3x6])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a]){1|N<4>,2|C<4>,8|C<3>}	113.0860	0.000	1	113.0860	0.000	1	113.0077	0.039	3	113.1860	0.153	4	114.2129	0.547	30	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,4x6]	C[5,4x6]	C[5,6,6a]	3:3:4:3:	3:3:4:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,4x6]-4:N[3x6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,4x6]-4:N[3x6]-4:	C[5,4x6]-4:C[5,6a,6a]-3:C[5a,6,6a]-3:	C[5,4x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,4x6]C[5,6,6a]2N[3x6])(N[3x6]C[6,6]2)	C[5,4x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,4x6]C[5,6,6a]2N[3x6])(N[3x6]C[6,6]2H)	C[5,6,6a](C[5,4x6]C[5,6,6a]C[5,4x6]N[3x6])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])	C[5,4x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,4x6]C[5,6,6a]2N[3x6])(N[3x6]C[6,6]2){2|C<4>,5|H<1>,8|C<3>}	C[5,4x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,4x6]C[5,6,6a]2N[3x6])(N[3x6]C[6,6]2H){2|C<4>,4|H<1>,8|C<3>}	C[5,6,6a](C[5,4x6]C[5,6,6a]C[5,4x6]N[3x6])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a]){1|N<4>,2|C<4>,8|C<3>}	112.9685	0.261	2	112.9685	0.068	2	113.0077	0.039	3	113.1860	0.153	4	114.2129	0.547	30	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,4x6]	C[5,4x6]	C[5,6,6a]	3:3:4:4:	3:3:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,4x6]-4:N[3x6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,4x6]-4:N[3x6]-3:	C[5,4x6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,4x6](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[5,4x6]C[5,6,6a]2N[3x6])(N[3x6]C[6,6]2H)	C[5,4x6](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[5,4x6]C[5,6,6a]2N[3x6])(N[3x6]C[6,6]2)	C[5,6,6a](C[5,4x6]C[5,6,6a]C[5,4x6]N[3x6])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[5,4x6](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[5,4x6]C[5,6,6a]2N[3x6])(N[3x6]C[6,6]2H){2|C<4>,4|H<1>,8|C<3>}	C[5,4x6](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[5,4x6]C[5,6,6a]2N[3x6])(N[3x6]C[6,6]2){2|C<4>,5|H<1>,8|C<3>}	C[5,6,6a](C[5,4x6]C[5,6,6a]C[5,4x6]N[3x6])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){1|H<1>,1|N<3>,2|C<4>,8|C<3>}	115.2930	0.000	1	115.2930	0.000	1	115.2930	0.000	1	115.5675	0.210	4	114.2129	0.547	30	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,4x6]	C[5,4x6]	C[5,6,6a]	3:3:4:4:	3:3:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,4x6]-4:N[3x6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,4x6]-4:N[3x6]-3:	C[5,4x6]-4:C[5,6a,6a]-3:C[5a,6,6a]-3:	C[5,4x6](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[5,4x6]C[5,6,6a]2N[3x6])(N[3x6]C[6,6]2H)	C[5,4x6](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[5,4x6]C[5,6,6a]2N[3x6])(N[3x6]C[6,6]2)	C[5,6,6a](C[5,4x6]C[5,6,6a]C[5,4x6]N[3x6])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])	C[5,4x6](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[5,4x6]C[5,6,6a]2N[3x6])(N[3x6]C[6,6]2H){2|C<4>,4|H<1>,8|C<3>}	C[5,4x6](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[5,4x6]C[5,6,6a]2N[3x6])(N[3x6]C[6,6]2){2|C<4>,5|H<1>,8|C<3>}	C[5,6,6a](C[5,4x6]C[5,6,6a]C[5,4x6]N[3x6])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a]){1|H<1>,1|N<3>,2|C<4>,8|C<3>}	116.0050	0.000	1	116.0050	0.000	1	115.6590	0.265	3	115.5675	0.210	4	114.2129	0.547	30	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,4x6]	C[5,4x6]	C[5,6,6a]	3:3:4:4:	3:3:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,4x6]-4:N[3x6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,4x6]-4:N[3x6]-3:	C[5,4x6]-4:C[5,6a,6a]-3:C[5a,6,6a]-3:	C[5,4x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,4x6]C[5,6,6a]2N[3x6])(N[3x6]C[6,6]2H)	C[5,4x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,4x6]C[5,6,6a]2N[3x6])(N[3x6]C[6,6]2)	C[5,6,6a](C[5,4x6]C[5,6,6a]C[5,4x6]N[3x6])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])	C[5,4x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,4x6]C[5,6,6a]2N[3x6])(N[3x6]C[6,6]2H){2|C<4>,4|H<1>,8|C<3>}	C[5,4x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,4x6]C[5,6,6a]2N[3x6])(N[3x6]C[6,6]2){2|C<4>,5|H<1>,8|C<3>}	C[5,6,6a](C[5,4x6]C[5,6,6a]C[5,4x6]N[3x6])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a]){1|H<1>,1|N<3>,2|C<4>,8|C<3>}	115.4860	0.591	2	115.4860	0.349	2	115.6590	0.265	3	115.5675	0.210	4	114.2129	0.547	30	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,4x6]	C[5,4x6]	C[5,6,6a]	3:3:4:4:	3:3:4:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,4x6]-4:C[3x6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,4x6]-4:C[3x6]-4:	C[5,4x6]-4:C[5,6a,6a]-3:C[5a,6,6a]-3:	C[5,4x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,4x6]C[5,6,6a]2C[3x6])(C[3x6]C[6,6,6a]2H)	C[5,4x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,4x6]C[5,6,6a]2C[3x6])(C[3x6]C[6,6,6a]2H)	C[5,6,6a](C[5,4x6]C[5,6,6a]C[5,4x6]C[3x6])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])	C[5,4x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,4x6]C[5,6,6a]2C[3x6])(C[3x6]C[6,6,6a]2H){12|C<3>,1|H<1>}	C[5,4x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,4x6]C[5,6,6a]2C[3x6])(C[3x6]C[6,6,6a]2H){12|C<3>,1|H<1>}	C[5,6,6a](C[5,4x6]C[5,6,6a]C[5,4x6]C[3x6])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a]){10|C<3>,1|C<4>,1|H<1>}	114.0014	0.274	5	114.0014	0.075	5	114.0014	0.075	5	114.0430	0.071	6	114.2129	0.547	30	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,4x6]	C[5,4x6]	C[5,6,6a]	3:3:4:4:	3:3:4:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,4x6]-4:C[3x6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,4x6]-4:C[3x6]-4:	C[5,4x6]-4:C[5a,6,6a]-3:C[5,6a,6a]-3:	C[5,4x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,4x6]C[5,6,6a]2C[3x6])(C[3x6]C[6,6,6a]2H)	C[5,4x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,4x6]C[5,6,6a]2C[3x6])(C[3x6]C[6,6,6a]2H)	C[5,6,6a](C[5,4x6]C[5,6,6a]C[5,4x6]C[3x6])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])	C[5,4x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,4x6]C[5,6,6a]2C[3x6])(C[3x6]C[6,6,6a]2H){12|C<3>,1|H<1>}	C[5,4x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,4x6]C[5,6,6a]2C[3x6])(C[3x6]C[6,6,6a]2H){12|C<3>,1|H<1>}	C[5,6,6a](C[5,4x6]C[5,6,6a]C[5,4x6]C[3x6])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a]){10|C<3>,1|C<4>,1|H<1>}	114.2510	0.000	1	114.2510	0.000	1	114.2510	0.000	1	114.0430	0.071	6	114.2129	0.547	30	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,4x6]	C[5,4x6]	C[5,6,6a]	3:3:4:4:	3:4:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,4x6]-4:C[3x6]-4:	C[5,6,6a]-3:C[5,4x6]-4:C[5,6,6a]-3:C[3x6]-4:	C[5,4x6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,4x6](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[5,4x6]C[5,6,6a]2C[3x6])(C[3x6]C[6,6,6a]2H)	C[5,4x6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,4x6]C[5,6,6a]2C[3x6])(C[5,6,6a]C[5,6,6a]2)(C[3x6]C[6,6,6a]2H)	C[5,6,6a](C[5,4x6]C[5,6,6a]C[5,4x6]C[3x6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,4x6](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[5,4x6]C[5,6,6a]2C[3x6])(C[3x6]C[6,6,6a]2H){12|C<3>,1|H<1>}	C[5,4x6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,4x6]C[5,6,6a]2C[3x6])(C[5,6,6a]C[5,6,6a]2)(C[3x6]C[6,6,6a]2H){12|C<3>,1|H<1>}	C[5,6,6a](C[5,4x6]C[5,6,6a]C[5,4x6]C[3x6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){10|C<3>,1|C<4>,1|H<1>}	114.4220	0.000	1	114.4220	0.000	1	114.4220	0.000	1	114.3660	0.006	2	114.2129	0.547	30	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,4x6]	C[5,4x6]	C[5,6,6a]	3:3:4:4:	3:4:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,4x6]-4:C[3x6]-4:	C[5,6,6a]-3:C[5,4x6]-4:C[5,6,6a]-3:C[3x6]-4:	C[5,4x6]-4:C[5,6a,6a]-3:C[5a,6,6a]-3:	C[5,4x6](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[5,4x6]C[5,6,6a]2C[3x6])(C[3x6]C[6,6,6a]2H)	C[5,4x6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,4x6]C[5,6,6a]2C[3x6])(C[5,6,6a]C[5,6,6a]2)(C[3x6]C[6,6,6a]2H)	C[5,6,6a](C[5,4x6]C[5,6,6a]C[5,4x6]C[3x6])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])	C[5,4x6](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[5,4x6]C[5,6,6a]2C[3x6])(C[3x6]C[6,6,6a]2H){12|C<3>,1|H<1>}	C[5,4x6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,4x6]C[5,6,6a]2C[3x6])(C[5,6,6a]C[5,6,6a]2)(C[3x6]C[6,6,6a]2H){12|C<3>,1|H<1>}	C[5,6,6a](C[5,4x6]C[5,6,6a]C[5,4x6]C[3x6])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a]){10|C<3>,1|C<4>,1|H<1>}	114.3100	0.000	1	114.3100	0.000	1	114.3100	0.000	1	114.3660	0.006	2	114.2129	0.547	30	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,4x6]	C[5,4x6]	C[5,6,6a]	3:3:4:4:	4:3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,4x6]-4:C[3x6]-4:	C[5,4x6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[3x6]-4:	C[5,4x6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,4x6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,4x6]C[5,6,6a]2C[3x6])(C[3x6]C[6,6,6a]2H)	C[5,4x6](C[5,4x6]C[5,6,6a]2C[3x6])(C[5,6,6a]C[5,6,6a]2)2(C[3x6]C[6,6,6a]2H)	C[5,6,6a](C[5,4x6]C[5,6,6a]C[5,4x6]C[3x6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,4x6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,4x6]C[5,6,6a]2C[3x6])(C[3x6]C[6,6,6a]2H){12|C<3>,1|H<1>}	C[5,4x6](C[5,4x6]C[5,6,6a]2C[3x6])(C[5,6,6a]C[5,6,6a]2)2(C[3x6]C[6,6,6a]2H){12|C<3>,1|H<1>}	C[5,6,6a](C[5,4x6]C[5,6,6a]C[5,4x6]C[3x6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){10|C<3>,1|C<4>,1|H<1>}	114.2427	0.693	3	114.2427	0.480	3	114.2427	0.480	3	114.0102	0.286	6	114.2129	0.547	30	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,4x6]	C[5,4x6]	C[5,6,6a]	3:3:4:4:	4:3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,4x6]-4:C[3x6]-4:	C[5,4x6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[3x6]-4:	C[5,4x6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,4x6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,4x6]C[5,6,6a]2C[3x6])(C[3x6]C[6,6,6a]2H)	C[5,4x6](C[5,4x6]C[5,6,6a]2C[3x6])(C[5,6,6a]C[5,6,6a]2)2(C[3x6]C[6,6,6a]2H)	C[5,6,6a](C[5,4x6]C[5,6,6a]C[5,4x6]C[3x6])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6,6a]2)	C[5,4x6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,4x6]C[5,6,6a]2C[3x6])(C[3x6]C[6,6,6a]2H){12|C<3>,1|H<1>}	C[5,4x6](C[5,4x6]C[5,6,6a]2C[3x6])(C[5,6,6a]C[5,6,6a]2)2(C[3x6]C[6,6,6a]2H){12|C<3>,1|H<1>}	C[5,6,6a](C[5,4x6]C[5,6,6a]C[5,4x6]C[3x6])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6,6a]2){1|H<1>,2|C<4>,9|C<3>}	113.8495	0.340	2	113.8495	0.116	2	113.7777	0.073	3	114.0102	0.286	6	114.2129	0.547	30	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,4x6]	C[5,4x6]	C[5,6,6a]	3:3:4:4:	4:3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,4x6]-4:C[3x6]-4:	C[5,4x6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[3x6]-4:	C[5,4x6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,4x6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,4x6]C[5,6,6a]2C[3x6])(C[3x6]C[6,6,6a]2H)	C[5,4x6](C[5,4x6]C[5,6,6a]2C[3x6])(C[5,6,6a]C[5,6,6a]2)2(C[3x6]C[6,6,6a]2H)	C[5,6,6a](C[5,4x6]C[5,6,6a]C[5,4x6]C[3x6])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[5,4x6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,4x6]C[5,6,6a]2C[3x6])(C[3x6]C[6,6,6a]2H){12|C<3>,1|H<1>}	C[5,4x6](C[5,4x6]C[5,6,6a]2C[3x6])(C[5,6,6a]C[5,6,6a]2)2(C[3x6]C[6,6,6a]2H){12|C<3>,1|H<1>}	C[5,6,6a](C[5,4x6]C[5,6,6a]C[5,4x6]C[3x6])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){10|C<3>,1|C<4>,1|H<1>}	113.6340	0.000	1	113.6340	0.000	1	113.7777	0.073	3	114.0102	0.286	6	114.2129	0.547	30	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,4x6]	C[5,4x6]	C[5,6,6a]	3:4:3:4:	3:3:4:4:	4:3:3:	C[5,6,6a]-3:C[5,4x6]-4:C[5,6,6a]-3:C[3x6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,4x6]-4:C[3x6]-4:	C[5,4x6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,4x6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,4x6]C[5,6,6a]2C[3x6])(C[5,6,6a]C[5,6,6a]2)(C[3x6]C[6,6,6a]2H)	C[5,4x6](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[5,4x6]C[5,6,6a]2C[3x6])(C[3x6]C[6,6,6a]2H)	C[5,6,6a](C[5,4x6]C[5,6,6a]C[5,4x6]C[3x6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2)	C[5,4x6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,4x6]C[5,6,6a]2C[3x6])(C[5,6,6a]C[5,6,6a]2)(C[3x6]C[6,6,6a]2H){12|C<3>,1|H<1>}	C[5,4x6](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[5,4x6]C[5,6,6a]2C[3x6])(C[3x6]C[6,6,6a]2H){12|C<3>,1|H<1>}	C[5,6,6a](C[5,4x6]C[5,6,6a]C[5,4x6]C[3x6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2){1|H<1>,2|C<4>,9|C<3>}	114.3960	0.000	1	114.3960	0.000	1	114.3960	0.000	1	114.0930	0.184	2	114.2129	0.547	30	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,4x6]	C[5,4x6]	C[5,6,6a]	3:4:3:4:	3:3:4:4:	4:3:3:	C[5,6,6a]-3:C[5,4x6]-4:C[5,6,6a]-3:C[3x6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,4x6]-4:C[3x6]-4:	C[5,4x6]-4:C[5a,6,6a]-3:C[5,6,6a]-3:	C[5,4x6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,4x6]C[5,6,6a]2C[3x6])(C[5,6,6a]C[5,6,6a]2)(C[3x6]C[6,6,6a]2H)	C[5,4x6](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[5,4x6]C[5,6,6a]2C[3x6])(C[3x6]C[6,6,6a]2H)	C[5,6,6a](C[5,4x6]C[5,6,6a]C[5,4x6]C[3x6])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6,6a]2)	C[5,4x6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,4x6]C[5,6,6a]2C[3x6])(C[5,6,6a]C[5,6,6a]2)(C[3x6]C[6,6,6a]2H){12|C<3>,1|H<1>}	C[5,4x6](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[5,4x6]C[5,6,6a]2C[3x6])(C[3x6]C[6,6,6a]2H){12|C<3>,1|H<1>}	C[5,6,6a](C[5,4x6]C[5,6,6a]C[5,4x6]C[3x6])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6,6a]2){1|H<1>,2|C<4>,9|C<3>}	113.7900	0.000	1	113.7900	0.000	1	113.7900	0.000	1	114.0930	0.184	2	114.2129	0.547	30	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,4x6]	C[5,4x6]	C[5,6,6a]	4:3:3:4:	3:3:4:4:	4:3:3:	C[5,4x6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[3x6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,4x6]-4:C[3x6]-4:	C[5,4x6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,4x6](C[5,4x6]C[5,6,6a]2C[3x6])(C[5,6,6a]C[5,6,6a]2)2(C[3x6]C[6,6,6a]2H)	C[5,4x6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,4x6]C[5,6,6a]2C[3x6])(C[3x6]C[6,6,6a]2H)	C[5,6,6a](C[5,4x6]C[5,6,6a]C[5,4x6]C[3x6])(C[5,6,6a]C[5,6,6a]2)2	C[5,4x6](C[5,4x6]C[5,6,6a]2C[3x6])(C[5,6,6a]C[5,6,6a]2)2(C[3x6]C[6,6,6a]2H){12|C<3>,1|H<1>}	C[5,4x6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,4x6]C[5,6,6a]2C[3x6])(C[3x6]C[6,6,6a]2H){12|C<3>,1|H<1>}	C[5,6,6a](C[5,4x6]C[5,6,6a]C[5,4x6]C[3x6])(C[5,6,6a]C[5,6,6a]2)2{1|H<1>,3|C<4>,8|C<3>}	114.2715	0.145	2	114.2715	0.021	2	114.3560	0.128	6	114.3560	0.128	6	114.2129	0.547	30	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,4x6]	C[5,4x6]	C[5,6,6a]	4:3:3:4:	3:3:4:4:	4:3:3:	C[5,4x6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[3x6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,4x6]-4:C[3x6]-4:	C[5,4x6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,4x6](C[5,4x6]C[5,6,6a]2C[3x6])(C[5,6,6a]C[5,6,6a]2)2(C[3x6]C[6,6,6a]2H)	C[5,4x6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,4x6]C[5,6,6a]2C[3x6])(C[3x6]C[6,6,6a]2H)	C[5,6,6a](C[5,4x6]C[5,6,6a]C[5,4x6]C[3x6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2)	C[5,4x6](C[5,4x6]C[5,6,6a]2C[3x6])(C[5,6,6a]C[5,6,6a]2)2(C[3x6]C[6,6,6a]2H){12|C<3>,1|H<1>}	C[5,4x6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,4x6]C[5,6,6a]2C[3x6])(C[3x6]C[6,6,6a]2H){12|C<3>,1|H<1>}	C[5,6,6a](C[5,4x6]C[5,6,6a]C[5,4x6]C[3x6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2){1|H<1>,2|C<4>,9|C<3>}	114.3983	0.446	4	114.3983	0.198	4	114.3560	0.128	6	114.3560	0.128	6	114.2129	0.547	30	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,3x6]	C[5,5,3x6]	C[5,6,6a]	4:3:3:4:	4:3:3:4:	4:3:3:	C[5,5,3x6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6]-4:	C[5,5,3x6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6]-4:	C[5,5,3x6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,5,3x6](C[5,5,3x6]C[5,6,6a]2C[5,5,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6]C[5,6,6a]O[5,5]H)	C[5,5,3x6](C[5,5,3x6]C[5,6,6a]2C[5,5,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6]C[5,6,6a]O[5,5]H)	C[5,6,6a](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]C[5,5,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,5,3x6](C[5,5,3x6]C[5,6,6a]2C[5,5,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6]C[5,6,6a]O[5,5]H){10|C<3>,1|H<1>}	C[5,5,3x6](C[5,5,3x6]C[5,6,6a]2C[5,5,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6]C[5,6,6a]O[5,5]H){10|C<3>,1|H<1>}	C[5,6,6a](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]C[5,5,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,1|H<1>,1|O<2>,9|C<3>}	114.6035	0.382	4	114.6035	0.146	4	114.6035	0.146	4	114.6035	0.146	4	114.4725	0.773	10	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,3x6]	C[5,5,3x6]	C[5,6,6a]	4:3:3:4:	4:3:4:3:	4:3:3:	C[5,5,3x6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6]-4:	C[5,5,3x6]-4:C[5,6,6]-3:C[5,5,6]-4:C[5,6,6a]-3:	C[5,5,3x6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,5,3x6](C[5,5,3x6]C[5,6,6a]C[5,5,6]C[5,6,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6]C[5,6,6a]C[5,5]H)	C[5,5,3x6](C[5,5,3x6]C[5,6,6a]2C[5,5,6])(C[5,6,6]C[5,5,3x6]C[5,6,6])(C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,6,6a]C[5,6,6a]2)	C[5,6,6a](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]C[5,5,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,5,3x6](C[5,5,3x6]C[5,6,6a]C[5,5,6]C[5,6,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6]C[5,6,6a]C[5,5]H){2|C<4>,2|H<1>,9|C<3>}	C[5,5,3x6](C[5,5,3x6]C[5,6,6a]2C[5,5,6])(C[5,6,6]C[5,5,3x6]C[5,6,6])(C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,6,6a]C[5,6,6a]2){2|C<4>,3|H<1>,9|C<3>}	C[5,6,6a](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]C[5,5,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|H<1>,2|C<4>,9|C<3>}	113.4720	0.000	1	113.4720	0.000	1	113.5790	0.023	2	114.4387	1.154	4	114.4725	0.773	10	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,3x6]	C[5,5,3x6]	C[5,6,6a]	4:3:3:4:	4:3:4:3:	4:3:3:	C[5,5,3x6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6]-4:	C[5,5,3x6]-4:C[5,6,6]-3:C[5,5,6]-4:C[5,6,6a]-3:	C[5,5,3x6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,5,3x6](C[5,5,3x6]C[5,6,6a]C[5,5,6]C[5,6,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6]C[5,6,6a]C[5,5]H)	C[5,5,3x6](C[5,5,3x6]C[5,6,6a]2C[5,5,6])(C[5,6,6]C[5,5,3x6]C[5,6,6])(C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,6,6a]C[5,6,6a]2)	C[5,6,6a](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]C[5,5,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,5,3x6](C[5,5,3x6]C[5,6,6a]C[5,5,6]C[5,6,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6]C[5,6,6a]C[5,5]H){2|C<4>,2|H<1>,9|C<3>}	C[5,5,3x6](C[5,5,3x6]C[5,6,6a]2C[5,5,6])(C[5,6,6]C[5,5,3x6]C[5,6,6])(C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,6,6a]C[5,6,6a]2){2|C<4>,3|H<1>,9|C<3>}	C[5,6,6a](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]C[5,5,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|H<1>,2|C<4>,9|C<3>}	113.6860	0.000	1	113.6860	0.000	1	113.5790	0.023	2	114.4387	1.154	4	114.4725	0.773	10	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,3x6]	C[5,5,3x6]	C[5,6,6a]	4:3:3:4:	4:3:4:3:	4:3:3:	C[5,5,3x6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6]-4:	C[5,5,3x6]-4:C[5,6,6]-3:C[5,5,6]-4:C[5,6,6a]-3:	C[5,5,3x6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,5,3x6](C[5,5,3x6]C[5,6,6a]C[5,5,6]C[5,6,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6]C[5,6,6a]C[5,5]H)	C[5,5,3x6](C[5,5,3x6]C[5,6,6a]2C[5,5,6])(C[5,6,6]C[5,5,3x6]C[5,6,6])(C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,6,6a]C[5,6,6a]2)	C[5,6,6a](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]C[5,5,6])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,5,3x6](C[5,5,3x6]C[5,6,6a]C[5,5,6]C[5,6,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6]C[5,6,6a]C[5,5]H){2|C<4>,2|H<1>,9|C<3>}	C[5,5,3x6](C[5,5,3x6]C[5,6,6a]2C[5,5,6])(C[5,6,6]C[5,5,3x6]C[5,6,6])(C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,6,6a]C[5,6,6a]2){2|C<4>,3|H<1>,9|C<3>}	C[5,6,6a](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]C[5,5,6])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|H<1>,2|C<4>,9|C<3>}	114.8070	0.000	1	114.8070	0.000	1	115.2985	0.483	2	114.4387	1.154	4	114.4725	0.773	10	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,3x6]	C[5,5,3x6]	C[5,6,6a]	4:3:3:4:	4:3:4:3:	4:3:3:	C[5,5,3x6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6]-4:	C[5,5,3x6]-4:C[5,6,6]-3:C[5,5,6]-4:C[5,6,6a]-3:	C[5,5,3x6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,5,3x6](C[5,5,3x6]C[5,6,6a]C[5,5,6]C[5,6,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6]C[5,6,6a]C[5,5]H)	C[5,5,3x6](C[5,5,3x6]C[5,6,6a]2C[5,5,6])(C[5,6,6]C[5,5,3x6]C[5,6,6])(C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,6,6a]C[5,6,6a]2)	C[5,6,6a](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]C[5,5,6])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[5,5,3x6](C[5,5,3x6]C[5,6,6a]C[5,5,6]C[5,6,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6]C[5,6,6a]C[5,5]H){2|C<4>,2|H<1>,9|C<3>}	C[5,5,3x6](C[5,5,3x6]C[5,6,6a]2C[5,5,6])(C[5,6,6]C[5,5,3x6]C[5,6,6])(C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,6,6a]C[5,6,6a]2){2|C<4>,3|H<1>,9|C<3>}	C[5,6,6a](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]C[5,5,6])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){1|H<1>,2|C<4>,9|C<3>}	115.7900	0.000	1	115.7900	0.000	1	115.2985	0.483	2	114.4387	1.154	4	114.4725	0.773	10	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,3x6]	C[5,5,3x6]	C[5,6,6a]	4:3:4:3:	4:3:3:4:	4:3:3:	C[5,5,3x6]-4:C[5,6,6]-3:C[5,5,6]-4:C[5,6,6a]-3:	C[5,5,3x6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6]-4:	C[5,5,3x6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,5,3x6](C[5,5,3x6]C[5,6,6a]2C[5,5,6])(C[5,6,6]C[5,5,3x6]C[5,6,6])(C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,6,6a]C[5,6,6a]2)	C[5,5,3x6](C[5,5,3x6]C[5,6,6a]C[5,5,6]C[5,6,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6]C[5,6,6a]C[5,5]H)	C[5,6,6a](C[5,5,3x6]C[5,5,3x6]C[5,5,6]C[5,6,6])(C[5,6,6a]C[5,5,3x6]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[5,5,3x6](C[5,5,3x6]C[5,6,6a]2C[5,5,6])(C[5,6,6]C[5,5,3x6]C[5,6,6])(C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,6,6a]C[5,6,6a]2){2|C<4>,3|H<1>,9|C<3>}	C[5,5,3x6](C[5,5,3x6]C[5,6,6a]C[5,5,6]C[5,6,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6]C[5,6,6a]C[5,5]H){2|C<4>,2|H<1>,9|C<3>}	C[5,6,6a](C[5,5,3x6]C[5,5,3x6]C[5,5,6]C[5,6,6])(C[5,6,6a]C[5,5,3x6]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){5|C<4>,8|C<3>}	114.2780	1.706	2	114.2780	2.909	2	114.2780	2.909	2	114.2780	2.909	2	114.4725	0.773	10	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6,6]	C[5,5,3x6]	C[5,6,6a]	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[5,6,6a]-3:C[6a,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[5,6,6a](C[5,5,6,6]C[5,5,3x6]C[6,6a]O[5,5])(C[5,6,6a]C[5,5,6]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	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[5,6,6a](C[5,5,6,6]C[5,5,3x6]C[6,6a]O[5,5])(C[5,6,6a]C[5,5,6]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){2|C<4>,3|H<1>,6|C<3>}	103.0590	0.000	1	103.0590	0.000	1	103.0590	0.000	1	103.0590	0.000	1	103.0590	0.000	1	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6,6]	C[5,5,6,6]	C[5,6,6a]	3:3:4:2:	3:3:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:N[5]-2:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:N[5]-3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6,6]C[5,6,6a]2N[5])(N[5]C[5])	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6,6]C[5,6,6a]2N[5])(N[5]C[5]C)	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]N[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6,6]C[5,6,6a]2N[5])(N[5]C[5]){10|C<3>}	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6,6]C[5,6,6a]2N[5])(N[5]C[5]C){9|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]N[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|N<3>,9|C<3>}	115.5310	0.000	1	115.5310	0.000	1	115.5310	0.000	1	115.4939	0.265	8	114.4725	0.964	54	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6,6]	C[5,5,6,6]	C[5,6,6a]	3:3:4:2:	3:3:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:N[5]-2:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:N[5]-3:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6,6]C[5,6,6a]2N[5])(N[5]C[5])	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6,6]C[5,6,6a]2N[5])(N[5]C[5]C)	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]N[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6,6]C[5,6,6a]2N[5])(N[5]C[5]){10|C<3>}	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6,6]C[5,6,6a]2N[5])(N[5]C[5]C){9|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]N[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){1|N<3>,9|C<3>}	114.5710	0.000	1	114.5710	0.000	1	114.5710	0.000	1	115.4939	0.265	8	114.4725	0.964	54	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6,6]	C[5,5,6,6]	C[5,6,6a]	3:3:4:2:	3:3:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:O[5]-2:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:C[5]-3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6,6]C[5,6,6a]2C[5])(O[5]N[5])	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6,6]C[5,6,6a]2O[5])(C[5]C[6a]N[5])	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]O[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6,6]C[5,6,6a]2C[5])(O[5]N[5]){9|C<3>}	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6,6]C[5,6,6a]2O[5])(C[5]C[6a]N[5]){1|N<2>,9|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]O[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|N<2>,9|C<3>}	116.1020	0.000	1	116.1020	0.000	1	116.1020	0.000	1	115.4939	0.265	8	114.4725	0.964	54	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6,6]	C[5,5,6,6]	C[5,6,6a]	3:3:4:2:	3:3:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:O[5]-2:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:C[5]-3:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6,6]C[5,6,6a]2C[5])(O[5]N[5])	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6,6]C[5,6,6a]2O[5])(C[5]C[6a]N[5])	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]O[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6,6]C[5,6,6a]2C[5])(O[5]N[5]){9|C<3>}	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6,6]C[5,6,6a]2O[5])(C[5]C[6a]N[5]){1|N<2>,9|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]O[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){1|N<2>,9|C<3>}	115.8200	0.000	1	115.8200	0.000	1	115.9035	0.014	2	115.4939	0.265	8	114.4725	0.964	54	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6,6]	C[5,5,6,6]	C[5,6,6a]	3:3:4:2:	3:3:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:O[5]-2:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:C[5]-3:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2C[5])(O[5]N[5])	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2O[5])(C[5]C[6a]N[5])	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]O[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[5,5,6,6](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])(O[5]N[5]){9|C<3>}	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2O[5])(C[5]C[6a]N[5]){10|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]O[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){1|N<2>,9|C<3>}	115.9870	0.000	1	115.9870	0.000	1	115.9035	0.014	2	115.4939	0.265	8	114.4725	0.964	54	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6,6]	C[5,5,6,6]	C[5,6,6a]	3:3:4:2:	3:3:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:O[5]-2:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:C[5]-3:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[5a,6,6a]-3:	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2C[5])(O[5]N[5])	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2O[5])(C[5]C[6a]N[5])	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]O[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])	C[5,5,6,6](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])(O[5]N[5]){9|C<3>}	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2O[5])(C[5]C[6a]N[5]){10|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]O[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a]){1|N<2>,9|C<3>}	115.0830	0.000	1	115.0830	0.000	1	115.3133	0.091	3	115.4939	0.265	8	114.4725	0.964	54	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6,6]	C[5,5,6,6]	C[5,6,6a]	3:3:4:2:	3:3:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:O[5]-2:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:C[5]-3:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[5a,6,6a]-3:	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,5,6,6]C[5,6,6a]2C[5])(O[5]C[5])	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,5,6,6]C[5,6,6a]2O[5])(C[5]C[5]C)	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]O[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,5,6,6]C[5,6,6a]2C[5])(O[5]C[5]){10|C<3>}	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,5,6,6]C[5,6,6a]2O[5])(C[5]C[5]C){9|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]O[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a]){10|C<3>}	115.4285	0.320	2	115.4285	0.103	2	115.3133	0.091	3	115.4939	0.265	8	114.4725	0.964	54	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6,6]	C[5,5,6,6]	C[5,6,6a]	3:3:4:3:	3:3:4:2:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:C[5]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:O[5]-2:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6,6]C[5,6,6a]2O[5])(C[5]C[6a]N[5])	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6,6]C[5,6,6a]2C[5])(O[5]N[5])	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6,6]C[5,6,6a]2O[5])(C[5]C[6a]N[5]){1|N<2>,9|C<3>}	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6,6]C[5,6,6a]2C[5])(O[5]N[5]){9|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|N<2>,1|O<2>,9|C<3>}	114.4165	0.053	2	114.4165	0.003	2	114.4165	0.003	2	114.3970	0.207	8	114.4725	0.964	54	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6,6]	C[5,5,6,6]	C[5,6,6a]	3:3:4:3:	3:3:4:2:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:C[5]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:O[5]-2:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2O[5])(C[5]C[6a]N[5])	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])(O[5]N[5])	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2O[5])(C[5]C[6a]N[5]){10|C<3>}	C[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])(O[5]N[5]){9|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){1|N<2>,1|O<2>,9|C<3>}	114.5460	0.000	1	114.5460	0.000	1	114.5460	0.000	1	114.3970	0.207	8	114.4725	0.964	54	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6,6]	C[5,5,6,6]	C[5,6,6a]	3:3:4:3:	3:3:4:2:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:C[5]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:O[5]-2:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[5a,6,6a]-3:	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2O[5])(C[5]C[6a]N[5])	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])(O[5]N[5])	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2O[5])(C[5]C[6a]N[5]){10|C<3>}	C[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])(O[5]N[5]){9|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a]){1|N<2>,1|O<2>,9|C<3>}	115.2420	0.000	1	115.2420	0.000	1	114.3813	0.587	3	114.3970	0.207	8	114.4725	0.964	54	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6,6]	C[5,5,6,6]	C[5,6,6a]	3:3:4:3:	3:3:4:2:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:C[5]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:O[5]-2:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[5a,6,6a]-3:	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,5,6,6]C[5,6,6a]2O[5])(C[5]C[5]C)	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,5,6,6]C[5,6,6a]2C[5])(O[5]C[5])	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,5,6,6]C[5,6,6a]2O[5])(C[5]C[5]C){9|C<3>}	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,5,6,6]C[5,6,6a]2C[5])(O[5]C[5]){10|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a]){10|C<3>,1|O<2>}	113.9510	0.249	2	113.9510	0.062	2	114.3813	0.587	3	114.3970	0.207	8	114.4725	0.964	54	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6,6]	C[5,5,6,6]	C[5,6,6a]	3:3:4:3:	3:3:4:2:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:N[5]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:N[5]-2:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6,6]C[5,6,6a]2N[5])(N[5]C[5]C)	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6,6]C[5,6,6a]2N[5])(N[5]C[5])	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]N[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6,6]C[5,6,6a]2N[5])(N[5]C[5]C){9|C<3>}	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6,6]C[5,6,6a]2N[5])(N[5]C[5]){10|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]N[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a]){10|C<3>,1|N<2>}	114.3265	0.491	2	114.3265	0.242	2	114.3265	0.242	2	114.3970	0.207	8	114.4725	0.964	54	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6,6]	C[5,5,6,6]	C[5,6,6a]	3:3:4:3:	3:3:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:C[5,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:C[5]-3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2C[5])(C[5,6a]C[5,6a]C[6a])	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2C[5,6a])(C[5]C[5,6a]O)	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2C[5])(C[5,6a]C[5,6a]C[6a]){10|C<3>,1|H<1>,1|O<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]2C[5,6a])(C[5]C[5,6a]O){10|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){11|C<3>}	115.5730	0.000	1	115.5730	0.000	1	115.5730	0.000	1	115.3020	0.111	4	114.4725	0.964	54	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6,6]	C[5,5,6,6]	C[5,6,6a]	3:3:4:3:	3:3:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:C[5,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:C[5]-3:	C[5,5,6,6]-4:C[5a,6,6a]-3:C[5,6a,6a]-3:	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2C[5])(C[5,6a]C[5,6a]C[6a])	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2C[5,6a])(C[5]C[5,6a]O)	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2C[5])(C[5,6a]C[5,6a]C[6a]){10|C<3>,1|H<1>,1|O<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]2C[5,6a])(C[5]C[5,6a]O){10|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]2){11|C<3>}	114.8160	0.000	1	114.8160	0.000	1	114.8160	0.000	1	115.3020	0.111	4	114.4725	0.964	54	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6,6]	C[5,5,6,6]	C[5,6,6a]	3:3:4:3:	3:3:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:C[5]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:C[5,6a]-3:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2C[5,6a])(C[5]C[5,6a]O)	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2C[5])(C[5,6a]C[5,6a]C[6a])	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2C[5,6a])(C[5]C[5,6a]O){10|C<3>}	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2C[5])(C[5,6a]C[5,6a]C[6a]){10|C<3>,1|H<1>,1|O<1>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){10|C<3>,1|O<1>}	115.4220	0.000	1	115.4220	0.000	1	115.4220	0.000	1	115.3020	0.111	4	114.4725	0.964	54	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6,6]	C[5,5,6,6]	C[5,6,6a]	3:3:4:3:	3:3:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:C[5]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:C[5,6a]-3:	C[5,5,6,6]-4:C[5a,6,6a]-3:C[5,6a,6a]-3:	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2C[5,6a])(C[5]C[5,6a]O)	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2C[5])(C[5,6a]C[5,6a]C[6a])	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2C[5,6a])(C[5]C[5,6a]O){10|C<3>}	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2C[5])(C[5,6a]C[5,6a]C[6a]){10|C<3>,1|H<1>,1|O<1>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]2){10|C<3>,1|O<1>}	115.3970	0.000	1	115.3970	0.000	1	115.3970	0.000	1	115.3020	0.111	4	114.4725	0.964	54	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6,6]	C[5,5,6,6]	C[5,6,6a]	3:3:4:3:	3:3:4:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:C[5]-3:	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[5,6,6a]-3:C[5,6a,6a]-3:	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2C[5])(C[5]C[6a]N[5])	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2C[5])(C[5]N[5]CC)	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2C[5])(C[5]C[6a]N[5]){11|C<3>,1|Ir<8>,1|C<4>}	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2C[5])(C[5]N[5]CC){1|Ir<8>,9|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,1|N<3>,9|C<3>}	115.9880	0.000	1	115.9880	0.000	1	115.9880	0.000	1	115.8570	0.034	2	114.4725	0.964	54	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6,6]	C[5,5,6,6]	C[5,6,6a]	3:3:4:3:	3:3:4:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:C[5]-3:	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[5,6a,6a]-3:C[5a,6,6a]-3:	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2C[5])(C[5]C[6a]N[5])	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2C[5])(C[5]N[5]CC)	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2C[5])(C[5]C[6a]N[5]){11|C<3>,1|Ir<8>,1|C<4>}	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2C[5])(C[5]N[5]CC){1|Ir<8>,9|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a]){1|C<4>,1|N<3>,9|C<3>}	115.7260	0.000	1	115.7260	0.000	1	115.7260	0.000	1	115.8570	0.034	2	114.4725	0.964	54	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6,6]	C[5,5,6,6]	C[5,6,6a]	3:3:4:4:	3:3:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:C[5]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:C[5]-3:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2C[5])(C[5]N[5]CC)	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2C[5])(C[5]C[6a]N[5])	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2C[5])(C[5]N[5]CC){1|Ir<8>,9|C<3>}	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2C[5])(C[5]C[6a]N[5]){11|C<3>,1|Ir<8>,1|C<4>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){10|C<3>,1|C<4>,1|N<3>}	112.4930	0.000	1	112.4930	0.000	1	112.4930	0.000	1	113.0605	0.644	2	114.4725	0.964	54	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6,6]	C[5,5,6,6]	C[5,6,6a]	3:3:4:4:	3:3:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:C[5]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:C[5]-3:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[5a,6,6a]-3:	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2C[5])(C[5]N[5]CC)	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2C[5])(C[5]C[6a]N[5])	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2C[5])(C[5]N[5]CC){1|Ir<8>,9|C<3>}	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2C[5])(C[5]C[6a]N[5]){11|C<3>,1|Ir<8>,1|C<4>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a]){10|C<3>,1|C<4>,1|N<3>}	113.6280	0.000	1	113.6280	0.000	1	113.6280	0.000	1	113.0605	0.644	2	114.4725	0.964	54	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6,6]	C[5,5,6,6]	C[5,6,6a]	3:3:4:4:	3:3:4:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:C[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[5,6,6a]-3:C[5,6a,6a]-3:	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6,6]C[5,6,6a]2C[5])(C[5]N[5]HH)	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6,6]C[5,6,6a]2C[5])(C[5]N[5]HH)	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6,6]C[5,6,6a]2C[5])(C[5]N[5]HH){1|C<4>,2|H<1>,8|C<3>}	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6,6]C[5,6,6a]2C[5])(C[5]N[5]HH){1|C<4>,2|H<1>,8|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,1|N<3>,2|H<1>,8|C<3>}	114.5830	0.000	1	114.5830	0.000	1	114.5830	0.000	1	114.2449	0.425	18	114.4725	0.964	54	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6,6]	C[5,5,6,6]	C[5,6,6a]	3:3:4:4:	3:3:4:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:C[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[5,6a,6a]-3:C[5,6,6a]-3:	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6,6]C[5,6,6a]2C[5])(C[5]N[5]HH)	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6,6]C[5,6,6a]2C[5])(C[5]N[5]HH)	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6,6]C[5,6,6a]2C[5])(C[5]N[5]HH){1|C<4>,2|H<1>,8|C<3>}	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6,6]C[5,6,6a]2C[5])(C[5]N[5]HH){1|C<4>,2|H<1>,8|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){1|C<4>,1|N<3>,2|H<1>,8|C<3>}	114.1780	0.000	1	114.1780	0.000	1	114.1780	0.000	1	114.2449	0.425	18	114.4725	0.964	54	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6,6]	C[5,5,6,6]	C[5,6,6a]	3:3:4:4:	3:3:4:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:C[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[5,6a,6a]-3:C[5a,6,6a]-3:	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,5,6,6]C[5,6,6a]2C[5])(C[5]N[5]CH)	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,5,6,6]C[5,6,6a]2C[5])(C[5]N[5]HH)	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,5,6,6]C[5,6,6a]2C[5])(C[5]N[5]CH){1|C<4>,2|H<1>,8|C<3>}	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,5,6,6]C[5,6,6a]2C[5])(C[5]N[5]HH){1|C<4>,1|H<1>,9|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a]){1|C<4>,1|H<1>,1|N<3>,9|C<3>}	114.1570	0.503	2	114.1570	0.253	2	114.2891	0.331	12	114.2449	0.425	18	114.4725	0.964	54	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6,6]	C[5,5,6,6]	C[5,6,6a]	3:3:4:4:	3:3:4:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:C[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[5,6a,6a]-3:C[5a,6,6a]-3:	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,5,6,6]C[5,6,6a]2C[5])(C[5]N[5]HH)	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,5,6,6]C[5,6,6a]2C[5])(C[5]N[5]CH)	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,5,6,6]C[5,6,6a]2C[5])(C[5]N[5]HH){1|C<4>,1|H<1>,9|C<3>}	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,5,6,6]C[5,6,6a]2C[5])(C[5]N[5]CH){1|C<4>,2|H<1>,8|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a]){1|C<4>,1|N<3>,2|H<1>,8|C<3>}	114.2475	1.054	2	114.2475	1.112	2	114.2891	0.331	12	114.2449	0.425	18	114.4725	0.964	54	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6,6]	C[5,5,6,6]	C[5,6,6a]	3:3:4:4:	3:3:4:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:C[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[5,6a,6a]-3:C[5a,6,6a]-3:	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,5,6,6]C[5,6,6a]2C[5])(C[5]N[5]HH)	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,5,6,6]C[5,6,6a]2C[5])(C[5]N[5]HH)	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,5,6,6]C[5,6,6a]2C[5])(C[5]N[5]HH){2|C<4>,2|H<1>,8|C<3>}	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,5,6,6]C[5,6,6a]2C[5])(C[5]N[5]HH){2|C<4>,2|H<1>,8|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a]){1|C<4>,1|N<4>,2|H<1>,8|C<3>}	114.3325	0.563	8	114.3325	0.317	8	114.2891	0.331	12	114.2449	0.425	18	114.4725	0.964	54	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6,6]	C[5,5,6,6]	C[5,6,6a]	3:3:4:4:	3:3:4:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:C[5]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:Si[5]-4:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2Si[5])(C[5]C[6a]C[5]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]2C[5])(Si[5]C[6a]2C[5])	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	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[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[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|Si<4>,1|C<4>,1|H<1>,9|C<3>}	113.5320	0.000	1	113.5320	0.000	1	113.5320	0.000	1	114.2449	0.425	18	114.4725	0.964	54	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6,6]	C[5,5,6,6]	C[5,6,6a]	3:3:4:4:	3:3:4:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:C[5]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:Si[5]-4:	C[5,5,6,6]-4:C[5a,6,6a]-3:C[5,6a,6a]-3:	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2Si[5])(C[5]C[6a]C[5]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]2C[5])(Si[5]C[6a]2C[5])	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	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[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[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|Si<4>,1|C<4>,1|H<1>,9|C<3>}	112.9390	0.000	1	112.9390	0.000	1	112.9390	0.000	1	114.2449	0.425	18	114.4725	0.964	54	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6,6]	C[5,5,6,6]	C[5,6,6a]	3:3:4:4:	3:3:4:4:	4:3:3:	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[5,6a,6a]-3:C[5,6,6a]-3:	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2C[5])(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)	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]Si[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[5,5,6,6](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>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]Si[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){10|C<3>,2|C<4>}	114.3600	0.000	1	114.3600	0.000	1	114.3600	0.000	1	114.2449	0.425	18	114.4725	0.964	54	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6,6]	C[5,5,6,6]	C[5,6,6a]	3:3:4:4:	3:3:4:4:	4:3:3:	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[5a,6,6a]-3:C[5,6a,6a]-3:	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2C[5])(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)	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]Si[5])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	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>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]Si[5])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]2){10|C<3>,2|C<4>}	115.3470	0.000	1	115.3470	0.000	1	115.3470	0.000	1	114.2449	0.425	18	114.4725	0.964	54	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6,6]	C[5,5,6,6]	C[5,6,6a]	3:4:3:3:	4:3:3:3:	4:3:3:	C[5,6,6a]-3:C[5,5,6,6]-4:C[5,6a]-3:C[5,6]-3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[5,6a]-3:	C[5,5,6,6]-4:C[5a,6,6a]-3:C[5,6,6a]-3:	C[5,5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2C[5,6a])(C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6]C[6,6])	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6a]C[5,6])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6a]C[5,6a,6a]C[6a])	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6a]C[5,6])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5a,6,6a]C[5,6])	C[5,5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2C[5,6a])(C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6]C[6,6]){2|C<4>,2|H<1>,9|C<3>}	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6a]C[5,6])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6a]C[5,6a,6a]C[6a]){10|C<3>,1|C<4>,1|H<1>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6a]C[5,6])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5a,6,6a]C[5,6]){2|C<4>,9|C<3>}	115.0990	0.000	1	115.0990	0.000	1	115.0990	0.000	1	115.0990	0.000	1	114.4725	0.964	54	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6,6]	C[5,5,6,6]	C[5,6,6a]	3:4:4:4:	4:3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,5,6,6]-4:C[5]-4:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[5]-4:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-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)	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5]N[5]HH)	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6]C[5])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[5,5,6,6](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[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5]N[5]HH){1|Re<7>,1|H<1>,2|C<4>,8|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6]C[5])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){1|Re<7>,1|H<1>,1|N<3>,2|C<4>,8|C<3>}	113.0290	0.000	1	113.0290	0.000	1	112.5795	0.404	2	112.3473	0.364	3	114.4725	0.964	54	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6,6]	C[5,5,6,6]	C[5,6,6a]	3:4:4:4:	4:3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,5,6,6]-4:C[5]-4:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[5]-4:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-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)	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5]N[5]HH)	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6]C[5])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[5,5,6,6](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[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5]N[5]HH){1|H<1>,1|W<7>,2|C<4>,8|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6]C[5])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){1|H<1>,1|N<3>,1|W<7>,2|C<4>,8|C<3>}	112.1300	0.000	1	112.1300	0.000	1	112.5795	0.404	2	112.3473	0.364	3	114.4725	0.964	54	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6,6]	C[5,5,6,6]	C[5,6,6a]	3:4:4:4:	4:3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,5,6,6]-4:C[5]-4:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[5]-4:	C[5,5,6,6]-4:C[5a,6,6a]-3:C[5,6a,6a]-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)	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5]N[5]HH)	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6]C[5])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])	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[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5]N[5]HH){1|Re<6>,1|H<1>,2|C<4>,8|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6]C[5])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5a,6a,6a]C[5,6,6a]){1|Re<6>,1|H<1>,1|N<3>,2|C<4>,8|C<3>}	111.8830	0.000	1	111.8830	0.000	1	111.8830	0.000	1	112.3473	0.364	3	114.4725	0.964	54	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6,6]	C[5,5,6,6]	C[5,6,6a]	4:3:3:3:	3:4:3:3:	4:3:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[5,6a]-3:	C[5,6,6a]-3:C[5,5,6,6]-4:C[5,6a]-3:C[5,6]-3:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[5a,6,6a]-3:	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6a]C[5,6])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6a]C[5,6a,6a]C[6a])	C[5,5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2C[5,6a])(C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6]C[6,6])	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6a])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6a]C[5,6])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6a]C[5,6a,6a]C[6a]){10|C<3>,1|C<4>,1|H<1>}	C[5,5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2C[5,6a])(C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6]C[6,6]){2|C<4>,2|H<1>,9|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6a])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a]){11|C<3>}	113.9350	0.000	1	113.9350	0.000	1	113.9350	0.000	1	113.2415	0.962	2	114.4725	0.964	54	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6,6]	C[5,5,6,6]	C[5,6,6a]	4:3:3:3:	3:4:3:3:	4:3:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[5,6a]-3:	C[5,6,6a]-3:C[5,5,6,6]-4:C[5,6a]-3:C[5,6]-3:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[6,6,6a]-3:	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6a]C[5,6])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6a]C[5,6a,6a]C[6a])	C[5,5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2C[5,6a])(C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6]C[6,6])	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6a])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[6,6,6a]C[6,6a,6a]C[6,6])	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6a]C[5,6])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6a]C[5,6a,6a]C[6a]){10|C<3>,1|C<4>,1|H<1>}	C[5,5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2C[5,6a])(C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6]C[6,6]){2|C<4>,2|H<1>,9|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6a])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[6,6,6a]C[6,6a,6a]C[6,6]){10|C<3>,1|C<4>,1|H<1>}	112.5480	0.000	1	112.5480	0.000	1	112.5480	0.000	1	113.2415	0.962	2	114.4725	0.964	54	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6,6]	C[5,5,6,6]	C[5,6,6a]	4:3:3:4:	3:4:4:4:	4:3:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[5]-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,5,6,6]-4:C[5]-4:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5]N[5]HH)	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[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5]N[5]HH){1|Re<7>,1|H<1>,2|C<4>,8|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[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|Re<7>,1|N<3>,2|C<4>,2|H<1>,7|C<3>}	114.1430	0.000	1	114.1430	0.000	1	114.5560	0.193	3	114.7185	0.123	6	114.4725	0.964	54	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6,6]	C[5,5,6,6]	C[5,6,6a]	4:3:3:4:	3:4:4:4:	4:3:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[5]-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,5,6,6]-4:C[5]-4:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5]N[5]HH)	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[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5]N[5]HH){1|Re<7>,1|H<1>,2|C<4>,8|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[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|N<3>,2|C<4>,2|H<1>,7|C<3>}	115.0170	0.000	1	115.0170	0.000	1	114.5560	0.193	3	114.7185	0.123	6	114.4725	0.964	54	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6,6]	C[5,5,6,6]	C[5,6,6a]	4:3:3:4:	3:4:4:4:	4:3:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[5]-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,5,6,6]-4:C[5]-4:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5]N[5]HH)	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[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5]N[5]HH){1|H<1>,1|W<7>,2|C<4>,8|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[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|N<3>,1|W<7>,2|C<4>,2|H<1>,7|C<3>}	114.5080	0.000	1	114.5080	0.000	1	114.5560	0.193	3	114.7185	0.123	6	114.4725	0.964	54	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6,6]	C[5,5,6,6]	C[5,6,6a]	4:3:3:4:	3:4:4:4:	4:3:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[5]-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,5,6,6]-4:C[5]-4:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5]N[5]HH)	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[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5]N[5]HH){1|H<1>,1|W<7>,2|C<4>,8|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[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){1|N<3>,2|C<4>,2|H<1>,7|C<3>}	115.0960	0.000	1	115.0960	0.000	1	114.9385	0.050	2	114.7185	0.123	6	114.4725	0.964	54	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6,6]	C[5,5,6,6]	C[5,6,6a]	4:3:3:4:	3:4:4:4:	4:3:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[5]-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,5,6,6]-4:C[5]-4:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5]N[5]HH)	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[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5]N[5]HH){1|Re<6>,1|H<1>,2|C<4>,8|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[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|Re<6>,1|N<3>,2|H<1>,3|C<4>,6|C<3>}	114.7810	0.000	1	114.7810	0.000	1	114.9385	0.050	2	114.7185	0.123	6	114.4725	0.964	54	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6,6]	C[5,5,6,6]	C[5,6,6a]	4:3:3:4:	3:4:4:4:	4:3:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[5]-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,5,6,6]-4:C[5]-4:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[5a,6,6a]-3:	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5]N[5]HH)	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[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5]N[5]HH){1|Re<6>,1|H<1>,2|C<4>,8|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[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a]){1|N<3>,2|C<4>,2|H<1>,7|C<3>}	114.7660	0.000	1	114.7660	0.000	1	114.7660	0.000	1	114.7185	0.123	6	114.4725	0.964	54	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6,6]	C[5,5,6,6]	C[5a,6,6]	4:3:3:4:	4:3:3:4:	4:3:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5a,6,6]-3:C[5,6]-4:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:C[5,6]-4:	C[5,5,6,6]-4:C[5a,6,6a]-3:C[5a,6,6]-3:	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6,6]C[5a,6,6a]C[5a,6,6])(C[5,6]C[5,6]C[6]H)	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5a,6,6]C[5,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6]C[5,6]C[6]H)	C[5a,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6])(C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5a,6,6]C[5a,6,6a]C[5,6,6])	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6,6]C[5a,6,6a]C[5a,6,6])(C[5,6]C[5,6]C[6]H){1|O<1>,3|C<4>,3|H<1>,7|C<3>}	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5a,6,6]C[5,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6]C[5,6]C[6]H){1|O<1>,3|C<4>,3|H<1>,7|C<3>}	C[5a,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6])(C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5a,6,6]C[5a,6,6a]C[5,6,6]){1|H<1>,3|C<4>,9|C<3>}	114.4010	0.000	1	114.4010	0.000	1	114.4010	0.000	1	114.4010	0.000	1	114.4010	0.000	1	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6,6]	C[5,5,6]	C[5,6,6a]	3:4:4:3:	4:3:4:1:	3:3:4:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5,6]-4:N[6]-3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,5]-4:H-1:	C[5a,6,6a]-3:C[5,6a,6a]-3:C[5,5,6,6]-4:	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,6a]N[6]O[5])(N[6]C[6,6a]H)	C[5,5,6](C[5,5,6,6]C[5,6,6a]C[5,5,6]N[6])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,5]C[5,6a]O[5]O)(H)	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5a,6a,6a]C[5,6a])(C[5,5,6,6]C[5,5,6]2N[6])	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,6a]N[6]O[5])(N[6]C[6,6a]H){1|H<1>,1|O<2>,8|C<3>}	C[5,5,6](C[5,5,6,6]C[5,6,6a]C[5,5,6]N[6])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,5]C[5,6a]O[5]O)(H){1|H<1>,1|N<3>,7|C<3>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5a,6a,6a]C[5,6a])(C[5,5,6,6]C[5,5,6]2N[6]){1|C<4>,1|N<3>,1|O<2>,2|H<1>,7|C<3>}	112.6320	0.000	1	112.6320	0.000	1	112.6320	0.000	1	112.6320	0.000	1	112.6320	0.000	1	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6,6]	C[5,6,6]	C[5,6,6a]	3:4:4:4:	4:4:4:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6]-4:C[5]-4:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,5,6,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,5,6,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[5,6]C[6]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]HH)	C[5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6]C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6,6a](C[5,5,6,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[5,5,6,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[5,6]C[6]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]HH){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6]C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,9|H<1>}	C[5,6,6a](C[5,5,6,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	109.7880	0.000	1	109.7880	0.000	1	109.7880	0.000	1	109.7880	0.000	1	111.1651	3.090	10	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6,6]	C[5,6,6]	C[5,6,6a]	4:3:3:4:	4:3:3:1:	4:3:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,5a]-3:C[5,6,6]-4:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:H-1:	C[5,5,6,6]-4:C[5a,6,6a]-3:C[5,6a,6a]-3:	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,5a]C[5a,6a]C[5,5a])(C[5,6,6]C[5,6,6a]2H)	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,5a])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(H)	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6]C[5,5a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,5a]C[5a,6a]C[5,5a])(C[5,6,6]C[5,6,6a]2H){10|C<3>,1|N<3>,3|H<1>}	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,5a])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(H){2|C<4>,9|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6]C[5,5a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a]){1|H<1>,2|C<4>,9|C<3>}	111.6490	0.634	2	111.6490	0.401	2	111.6490	0.401	2	111.6490	0.401	2	111.1651	3.090	10	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6,6]	C[5,6,6]	C[5,6,6a]	4:3:4:1:	4:2:2:1:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[5,6,6]-4:H-1:	C[5,5,6,6]-4:O[5,6]-2:O[6]-2:H-1:	C[5,5,6,6]-4:C[5,6,6a]-3:C[6a]-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)	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[5,6,6a](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]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){2|H<1>,4|C<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){1|C<4>,2|H<1>,3|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|C<3>,2|O<2>,5|H<1>}	108.3790	0.000	1	108.3790	0.000	1	108.3790	0.000	1	108.3790	0.000	1	111.1651	3.090	10	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6,6]	C[5,6,6]	C[5,6,6a]	4:3:4:1:	4:3:2:1:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:C[5,6,6]-4:H-1:	C[5,5,6,6]-4:N[5,6]-3:O[6]-2:H-1:	C[5,5,6,6]-4:C[5,6,6a]-3:C[6a]-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)	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[5,6,6a](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]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){2|H<1>,5|C<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){1|C<4>,2|H<1>,3|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,5|H<1>}	108.2950	0.000	1	108.2950	0.000	1	108.2950	0.000	1	108.2950	0.000	1	111.1651	3.090	10	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6,6]	C[5,6,6]	C[5,6,6a]	4:3:4:3:	4:3:3:1:	4:3:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-4:C[5]-3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:H-1:	C[5,5,6,6]-4:C[5a,6,6a]-3:C[5,6a,6a]-3:	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]N[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]2H)(C[5]C[6a]N[5])	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(H)	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6]C[5])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]N[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]2H)(C[5]C[6a]N[5]){10|C<3>,1|H<1>,1|N<2>}	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(H){1|C<4>,1|N<2>,1|N<3>,8|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6]C[5])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,8|C<3>}	112.2160	0.000	1	112.2160	0.000	1	112.2160	0.000	1	112.4195	0.083	2	111.1651	3.090	10	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6,6]	C[5,6,6]	C[5,6,6a]	4:3:4:3:	4:3:3:1:	4:3:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-4:N[5]-3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:H-1:	C[5,5,6,6]-4:C[5a,6,6a]-3:C[5,6a,6a]-3:	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]2H)(N[5]N[5]C)	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]N[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(H)	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6]N[5])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]2H)(N[5]N[5]C){1|H<1>,9|C<3>}	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]N[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(H){1|C<4>,1|N<2>,9|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6]N[5])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a]){1|C<4>,1|H<1>,1|N<2>,9|C<3>}	112.6230	0.000	1	112.6230	0.000	1	112.6230	0.000	1	112.4195	0.083	2	111.1651	3.090	10	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6,6]	C[5,6,6]	C[5,6,6a]	4:3:4:3:	4:3:3:4:	4:3:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-4:N[5]-3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C-4:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C)(N[5]C[5,6a]C)	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]N[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(CC[6a]2H)	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6]N[5])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C)(N[5]C[5,6a]C){10|C<3>}	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]N[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(CC[6a]2H){11|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6]N[5])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){11|C<3>,1|C<4>}	113.3820	0.000	1	113.3820	0.000	1	113.3820	0.000	1	113.3820	0.000	1	111.1651	3.090	10	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6,6]	C[5,6,6]	C[5,6,6a]	4:3:4:4:	4:3:3:1:	4:3:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-4:C[5]-4:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:H-1:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,5a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2H)(C[5]C[5,5a]HH)	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(H)	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6]C[5])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,5a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2H)(C[5]C[5,5a]HH){1|H<1>,1|N<3>,9|C<3>}	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(H){1|C<4>,2|H<1>,9|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6]C[5])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){1|C<4>,3|H<1>,9|C<3>}	111.8710	0.000	1	111.8710	0.000	1	111.8710	0.000	1	111.8350	0.003	2	111.1651	3.090	10	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6,6]	C[5,6,6]	C[5,6,6a]	4:3:4:4:	4:3:3:1:	4:3:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-4:C[5]-4:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:H-1:	C[5,5,6,6]-4:C[5a,6,6a]-3:C[5,6a,6a]-3:	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,5a])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]2H)(C[5]C[5,5a]HH)	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(H)	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6]C[5])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,5a])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]2H)(C[5]C[5,5a]HH){1|H<1>,1|N<3>,9|C<3>}	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(H){1|C<4>,2|H<1>,9|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6]C[5])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a]){1|C<4>,3|H<1>,9|C<3>}	111.7990	0.000	1	111.7990	0.000	1	111.7990	0.000	1	111.8350	0.003	2	111.1651	3.090	10	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,5,3x6]	C[5,6,6a]	4:3:2:1:	4:3:3:4:	4:3:3:	C[5,5,3x6]-4:C[5,6,6a]-3:O[5,5]-2:H-1:	C[5,5,3x6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6]-4:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]2)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(H)	C[5,5,3x6](C[5,5,3x6]C[5,6,6a]2C[5,5,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6]C[5,6,6a]O[5,5]H)	C[5,6,6a](C[5,5,6]C[5,5,3x6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]2)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(H){2|H<1>,8|C<3>}	C[5,5,3x6](C[5,5,3x6]C[5,6,6a]2C[5,5,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6]C[5,6,6a]O[5,5]H){10|C<3>,1|H<1>}	C[5,6,6a](C[5,5,6]C[5,5,3x6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	107.8955	0.115	2	107.8955	0.013	2	107.8955	0.013	2	107.8955	0.013	2	106.6570	1.734	6	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,5,3x6]	C[5,6,6a]	4:3:4:1:	4:3:3:4:	4:3:3:	C[5,5,3x6]-4:C[5,6,6a]-3:C[5,5]-4:H-1:	C[5,5,3x6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6]-4:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]2)(C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(H)	C[5,5,3x6](C[5,5,3x6]C[5,6,6a]C[5,5,6]C[5,6,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6]C[5,6,6a]C[5,5]H)	C[5,6,6a](C[5,5,6]C[5,5,3x6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]2)(C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(H){1|C<4>,1|H<1>,8|C<3>}	C[5,5,3x6](C[5,5,3x6]C[5,6,6a]C[5,5,6]C[5,6,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6]C[5,6,6a]C[5,5]H){2|C<4>,2|H<1>,9|C<3>}	C[5,6,6a](C[5,5,6]C[5,5,3x6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	106.2025	0.483	2	106.2025	0.233	2	106.2025	0.233	2	106.2025	0.233	2	106.6570	1.734	6	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,5,3x6]	C[5,6,6a]	4:3:4:4:	4:3:4:3:	4:3:3:	C[5,5,3x6]-4:C[5,6,6a]-3:C[5,5]-4:C-4:	C[5,5,3x6]-4:C[5,6,6]-3:C[5,5,6]-4:C[5,6,6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(CCHH)	C[5,5,3x6](C[5,5,3x6]C[5,6,6a]2C[5,5,6])(C[5,6,6]C[5,5,3x6]C[5,6,6])(C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,6,6a]C[5,6,6a]2)	C[5,6,6a](C[5,5,6]C[5,5,3x6]C[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(CCHH){1|C<4>,2|H<1>,7|C<3>}	C[5,5,3x6](C[5,5,3x6]C[5,6,6a]2C[5,5,6])(C[5,6,6]C[5,5,3x6]C[5,6,6])(C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,6,6a]C[5,6,6a]2){2|C<4>,3|H<1>,9|C<3>}	C[5,6,6a](C[5,5,6]C[5,5,3x6]C[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	105.8730	1.928	2	105.8730	3.716	2	105.8730	3.716	2	105.8730	3.716	2	106.6570	1.734	6	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,5,6,6]	C[5,6,6a]	4:3:2:1:	4:4:4:1:	3:4:3:	C[5,5,6,6]-4:C[5,6,6a]-3:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,5,3x6]-4:C[5,5,6]-4:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a,6a]-3:	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(C[5,6,6a]C[5,6,6a]C[6a,6a])(O[5,5]C[5,5,6,6])(H)	C[5,5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,6]O[5,5]H)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6,6]C[6a,6a])(C[5,5,6]C[5,5,6,6]O[5,5]H)(C[6a,6a]C[6a,6a]C[6a])	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(C[5,6,6a]C[5,6,6a]C[6a,6a])(O[5,5]C[5,5,6,6])(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[5,5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,3x6]C[5,5,6,6]2H)(C[5,5,6]C[5,6]O[5,5]H)(H){1|H<1>,5|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6,6]C[6a,6a])(C[5,5,6]C[5,5,6,6]O[5,5]H)(C[6a,6a]C[6a,6a]C[6a]){2|C<4>,2|H<1>,5|C<3>}	104.7830	0.000	1	104.7830	0.000	1	104.7830	0.000	1	104.7830	0.000	1	107.4895	7.812	35	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,5,6,6]	C[5,6,6a]	4:3:2:1:	4:4:4:1:	4:3:3:	C[5,5,6,6]-4:C[5,6,6a]-3:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6]-4:C[5,6,6a]-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])(H)	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[5,6,6a](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	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])(H){1|C<4>,1|O<2>,3|H<1>,4|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[5,6,6a](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	106.0636	0.497	8	106.0636	0.247	8	106.6592	3.049	11	106.6592	3.049	11	107.4895	7.812	35	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,5,6,6]	C[5,6,6a]	4:3:2:1:	4:4:4:1:	4:3:3:	C[5,5,6,6]-4:C[5,6,6a]-3:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6]-4:C[5,6,6a]-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])(H)	C[5,5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)2(C[5,5,6,6]C[5,5,6]2C)(H)	C[5,6,6a](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6,6a]C[5,5,6]O[6a])(C[6a]C[6a,6a]O)	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])(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>,3|C<3>}	C[5,5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)2(C[5,5,6,6]C[5,5,6]2C)(H){2|C<4>,4|C<3>}	C[5,6,6a](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6,6a]C[5,5,6]O[6a])(C[6a]C[6a,6a]O){1|H<1>,2|C<3>,3|C<4>}	108.2473	3.029	3	108.2473	9.176	3	106.6592	3.049	11	106.6592	3.049	11	107.4895	7.812	35	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,5,6,6]	C[5,6,6a]	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[5,6,6a]-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[5,6,6a](C[5,5,6]C[5,5,6,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	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[5,6,6a](C[5,5,6]C[5,5,6,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	107.4993	2.082	8	107.4993	4.333	8	107.1275	4.319	14	107.1275	4.319	14	107.4895	7.812	35	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,5,6,6]	C[5,6,6a]	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[5,6,6a]-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[5,6,6a](C[5,5,6]C[5,5,6,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	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[5,6,6a](C[5,5,6]C[5,5,6,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	107.5660	2.554	2	107.5660	6.523	2	107.1275	4.319	14	107.1275	4.319	14	107.4895	7.812	35	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,5,6,6]	C[5,6,6a]	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[5,6,6a]-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[5,6,6a](C[5,5,6]C[5,5,6,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	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[5,6,6a](C[5,5,6]C[5,5,6,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	106.1647	2.167	4	106.1647	4.697	4	107.1275	4.319	14	107.1275	4.319	14	107.4895	7.812	35	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,5,6,6]	C[5,6,6a]	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[5,6,6a]-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[5,6,6a](C[5,5,6]C[5,5,6,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	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[5,6,6a](C[5,5,6]C[5,5,6,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	107.7010	4.056	2	107.7010	16.451	2	107.7010	16.451	2	107.7010	16.451	2	107.4895	7.812	35	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,5,6,6]	C[5,6,6a]	4:3:2:4:	4:4:4:3:	4:3:2:	C[5,5,6,6]-4:C[5,6,6a]-3:O[5,5]-2:C-4:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6,6]-4:C-3:	C[5,5,6]-4:C[5,6,6a]-3:O[6a]-2:	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C)(C[5,6,6a]C[5,6,6a]O[6a])(O[5,5]C[5,5,6])(CH3)	C[5,5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C)2(C[5,5,6,6]C[5,5,6]2H)(COO)	C[5,6,6a](C[5,5,6]C[5,5,6,6]O[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(O[6a]C[6a,6a])	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C)(C[5,6,6a]C[5,6,6a]O[6a])(O[5,5]C[5,5,6])(CH3){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C)2(C[5,5,6,6]C[5,5,6]2H)(COO){2|C<3>,2|H<1>,2|O<2>}	C[5,6,6a](C[5,5,6]C[5,5,6,6]O[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(O[6a]C[6a,6a]){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	106.9128	2.583	4	106.9128	6.671	4	106.9128	6.671	4	106.9128	6.671	4	107.4895	7.812	35	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,5,6,6]	C[5,6,6a]	4:3:4:1:	3:4:4:3:	3:3:4:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,5]-4:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5,6]-4:N[6]-3:	C[5a,6,6a]-3:C[5,6a,6a]-3:C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,6,6a]C[5,5,6]N[6])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,5]C[5,6a]O[5]O)(H)	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,6a]N[6]O[5])(N[6]C[6,6a]H)	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5a,6a,6a]C[5,6a])(C[5,5,6]C[5,5,6,6]C[5,5]H)	C[5,5,6](C[5,5,6,6]C[5,6,6a]C[5,5,6]N[6])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,5]C[5,6a]O[5]O)(H){1|H<1>,1|N<3>,7|C<3>}	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,6a]N[6]O[5])(N[6]C[6,6a]H){1|H<1>,1|O<2>,8|C<3>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5a,6a,6a]C[5,6a])(C[5,5,6]C[5,5,6,6]C[5,5]H){1|C<4>,1|N<3>,2|O<2>,6|C<3>}	115.7750	0.000	1	115.7750	0.000	1	115.7750	0.000	1	115.7750	0.000	1	107.4895	7.812	35	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,5,6,6]	C[5,6,6a]	4:3:4:1:	4:4:4:1:	4:3:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5,6,6]-4:H-1:	C[5,5,6]-4:C[5,6,6a]-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])(C[5,5]C[5,5,6]HH)(H)	C[5,5,6,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,5]C[5,6]Cl)(C[5,5,6,6]C[5,5,6]2H)(H)	C[5,6,6a](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]Cl)	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])(C[5,5]C[5,5,6]HH)(H){2|Cl<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,5,6,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,5]C[5,6]Cl)(C[5,5,6,6]C[5,5,6]2H)(H){4|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	C[5,6,6a](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]Cl){2|Cl<1>,1|C<3>,2|C<4>,4|H<1>}	112.7435	0.699	2	112.7435	0.489	2	112.7435	0.489	2	112.7435	0.489	2	107.4895	7.812	35	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,5a,6]	3:4:4:1:	4:4:3:1:	4:3:3:	C[5,5a,6]-3:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,5a,6]-3:C[5a]-3:	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,5a,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[5,5a,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5a,6]C[5,5,6]C[5a])(C[5a]N[5a]H)	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){1|O<1>,2|C<3>,2|N<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5a,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,3|C<3>,3|H<1>}	C[5,5a,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5a,6]C[5,5,6]C[5a])(C[5a]N[5a]H){1|C<3>,1|C<4>,6|H<1>}	107.1425	0.496	2	107.1425	0.246	2	107.1425	0.246	2	107.1425	0.246	2	107.1425	0.246	2	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6,6a]	3:3:4:1:	4:3:4:1:	3:4:3:	C[5,5,6a]-3:C[5,6,6a]-3:C[5,5,6]-4:Cl-1:	C[5,5,6]-4:C[5,6,6a]-3:C[5,5,6]-4:Cl-1:	C[5,6,6a]-3:C[5,5,6]-4:C[5,6a,6a]-3:	C[5,5,6](C[5,5,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(Cl)	C[5,5,6](C[5,5,6]C[5,5,6a]C[5,6,6a]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]2Cl)(Cl)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6]C[5,5,6a]C[5,5,6]Cl)(C[5,6a,6a]C[5,6a,6a]2)	C[5,5,6](C[5,5,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(Cl){1|Cl<1>,7|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6a]C[5,6,6a]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]2Cl)(Cl){7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6]C[5,5,6a]C[5,5,6]Cl)(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,1|C<4>,7|C<3>}	116.9000	0.000	1	116.9000	0.000	1	116.9000	0.000	1	116.9000	0.000	1	107.3484	3.677	96	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6,6a]	3:4:2:1:	4:4:2:1:	4:3:3:	C[5,6,6a]-3:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]O[5]H)(O[5,5]C[5,5,6])(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]C[5,6]H)(O[5]C[5,6])(H)	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]O[5]H)(O[5,5]C[5,5,6])(H){2|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,6]C[5,5,6]C[5,6]H)(O[5]C[5,6])(H){3|H<1>,4|C<3>}	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,3|H<1>}	107.2070	0.000	1	107.2070	0.000	1	107.1665	0.003	2	107.1665	0.003	2	107.3484	3.677	96	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6,6a]	3:4:2:1:	4:4:2:1:	4:3:3:	C[5,6,6a]-3:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]O[5]H)(O[5,5]C[5,5,6])(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]C[5]H)(O[5]N[5])(H)	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]O[5]H)(O[5,5]C[5,5,6])(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5]N[5])(H){2|H<1>,4|C<3>}	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	107.1260	0.000	1	107.1260	0.000	1	107.1665	0.003	2	107.1665	0.003	2	107.3484	3.677	96	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6,6a]	3:4:2:1:	4:4:3:1:	3:4:3:	C[5,6,6a]-3:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(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]C[5]H)(C[5]N[5]O)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,5,6]C[5,5,6]O[5,5]H)(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,5,6]C[5,5,6]O[5,5]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	107.7860	0.255	2	107.7860	0.065	2	107.7860	0.065	2	107.7860	0.065	2	107.3484	3.677	96	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6,6a]	3:4:2:1:	4:4:3:1:	4:3:3:	C[5,6,6a]-3:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a,6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(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]C[5]H)(C[5]N[5]O)(H)	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a,6a]C[6a,6a]C[6a])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(H){1|N<3>,1|O<1>,2|H<1>,4|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]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,4|C<3>,4|H<1>}	109.8840	1.146	2	109.8840	1.312	2	109.8840	1.312	2	108.6143	5.492	3	107.3484	3.677	96	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6,6a]	3:4:2:1:	4:4:3:1:	4:3:3:	C[5,6,6a]-3:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(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]N[5]C)(H)	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>,2|O<2>}	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]N[5]C)(H){1|C<4>,2|C<3>}	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	106.0750	0.000	1	106.0750	0.000	1	106.0750	0.000	1	108.6143	5.492	3	107.3484	3.677	96	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6,6a]	3:4:2:1:	4:4:4:1:	4:3:3:	C[5,6,6a]-3:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(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[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(H){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	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[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	106.5910	0.000	1	106.5910	0.000	1	106.5910	0.000	1	106.5910	0.000	1	107.3484	3.677	96	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6,6a]	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-3:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(CCC)	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(CCC){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,3|C<3>}	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	106.1870	0.000	1	106.1870	0.000	1	106.1870	0.000	1	107.0064	1.048	7	107.3484	3.677	96	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6,6a]	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[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(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[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(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[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	107.1430	1.049	6	107.1430	1.101	6	107.1430	1.101	6	107.0064	1.048	7	107.3484	3.677	96	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6,6a]	3:4:2:3:	4:4:4:1:	4:3:3:	C[5,6,6a]-3:C[5,5,6]-4:O[5]-2:C[5]-3:	C[5,5,6]-4:C[3x5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,5,6]C[3x5]C[5,6]H)(O[5]C[5,5])(C[5]N[5]O)	C[5,5,6](C[5,5,6]C[5,6,6a]C[5]O[5])(C[3x5]C[5,5]N[5,5]O)(C[5,6]C[5]C[6]H)(H)	C[5,6,6a](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6,6a]C[6a]C[6])	C[5,5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,5,6]C[3x5]C[5,6]H)(O[5]C[5,5])(C[5]N[5]O){1|H<1>,1|N<3>,2|C<3>,2|O<2>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,6,6a]C[5]O[5])(C[3x5]C[5,5]N[5,5]O)(C[5,6]C[5]C[6]H)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[5,6,6a](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6,6a]C[6a]C[6]){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	112.2040	0.122	2	112.2040	0.015	2	112.2040	0.015	2	112.2040	0.015	2	107.3484	3.677	96	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6,6a]	3:4:2:4:	4:4:2:1:	4:3:3:	C[5,6,6a]-3:C[5,5,6]-4:O[5,5]-2:C-4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]O[5]H)(O[5,5]C[5,5,6])(CH3)	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,5,6]C[5,5,6]C[5]H)(O[5]N[5])(H)	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]O[5]H)(O[5,5]C[5,5,6])(CH3){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,5,6]C[5,5,6]C[5]H)(O[5]N[5])(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	104.9110	0.000	1	104.9110	0.000	1	104.9110	0.000	1	104.9110	0.000	1	107.3484	3.677	96	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6,6a]	3:4:2:4:	4:4:3:1:	4:3:3:	C[5,6,6a]-3:C[5,5,6]-4:O[5,5]-2:C-4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(CH3)	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(CH3){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,4|C<3>}	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	106.6560	0.000	1	106.6560	0.000	1	106.6560	0.000	1	105.0183	2.026	3	107.3484	3.677	96	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6,6a]	3:4:2:4:	4:4:3:1:	4:3:3:	C[5,6,6a]-3:C[5,5,6]-4:O[5,5]-2:Si-4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(SiC3)	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]Si)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]Si)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(SiC3){1|Si<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]Si)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|Si<4>,1|C<4>,1|O<1>,2|C<3>}	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]Si)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|Si<4>,1|C<4>,2|C<3>,3|H<1>}	104.1995	0.173	2	104.1995	0.030	2	104.1995	0.030	2	105.0183	2.026	3	107.3484	3.677	96	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6,6a]	3:4:3:1:	3:4:4:1:	3:3:4:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5,6]-3:Cl-1:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5,6]-4:Cl-1:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,5,6]C[5,6,6]2)(Cl)	C[5,5,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,5,6]C[5,6,6]2Cl)(Cl)	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,5,6]C[5,5,6]2Cl)	C[5,5,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,5,6]C[5,6,6]2)(Cl){2|Cl<1>,2|C<4>,5|C<3>}	C[5,5,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,5,6]C[5,6,6]2Cl)(Cl){1|Cl<1>,2|C<4>,5|C<3>}	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,5,6]C[5,5,6]2Cl){2|Cl<1>,1|C<4>,7|C<3>}	115.2840	0.000	1	115.2840	0.000	1	115.2840	0.000	1	115.2840	0.000	1	107.3484	3.677	96	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6,6a]	3:4:3:1:	4:4:2:2:	4:3:3:	C[5,6,6a]-3:C[5,5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[5,6]-4:O[5]-2:O[5]-2:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,6]O[5]2)(N[5,5]C[5,5,6]C)(H)	C[5,5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6]C[5,5,6]HS)(O[5]C[5])2	C[5,6,6a](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,6]O[5]2)(N[5,5]C[5,5,6]C)(H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6]C[5,5,6]HS)(O[5]C[5])2{3|H<1>,5|C<3>}	C[5,6,6a](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	108.1490	0.000	1	108.1490	0.000	1	108.1490	0.000	1	108.1490	0.000	1	107.3484	3.677	96	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6,6a]	3:4:3:1:	4:4:3:1:	4:3:3:	C[5,6,6a]-3:C[5,5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(N[5,5]C[5,5,6]C)(H)	C[5,5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[5,6,6a](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(N[5,5]C[5,5,6]C)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,6,6a](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	105.6412	0.358	4	105.6412	0.128	4	106.3103	0.987	7	106.3103	0.987	7	107.3484	3.677	96	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6,6a]	3:4:3:1:	4:4:3:1:	4:3:3:	C[5,6,6a]-3:C[5,5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(N[5,5]C[5,5,6]C[6a])(H)	C[5,5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[5,6,6a](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(N[5,5]C[5,5,6]C[6a])(H){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5,5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5,6,6a](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	107.6770	0.068	2	107.6770	0.005	2	106.3103	0.987	7	106.3103	0.987	7	107.3484	3.677	96	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6,6a]	3:4:3:1:	4:4:3:1:	4:3:3:	C[5,6,6a]-3:C[5,5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(N[5,5]C[5,5,6]S)(H)	C[5,5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[5,6,6a](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(N[5,5]C[5,5,6]S)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,1|S<4>,3|C<3>}	C[5,6,6a](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	106.2530	0.000	1	106.2530	0.000	1	106.3103	0.987	7	106.3103	0.987	7	107.3484	3.677	96	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6,6a]	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[5,6,6a]-3:C[6a,6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(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[5,6,6a](C[5,5,6]C[5,5,6]C[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a,6a])(C[6a,6a]C[3x6a]C[6a])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(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[5,6,6a](C[5,5,6]C[5,5,6]C[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a,6a])(C[6a,6a]C[3x6a]C[6a]){1|C<4>,1|O<1>,2|H<1>,8|C<3>}	107.0349	0.853	8	107.0349	0.728	8	107.0589	0.746	38	107.0589	0.746	38	107.3484	3.677	96	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6,6a]	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[5,6,6a]-3:C[6a,6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(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[5,6,6a](C[5,5,6]C[5,5,6]C[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(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[5,6,6a](C[5,5,6]C[5,5,6]C[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|O<1>,2|H<1>,8|C<3>}	107.0653	0.881	30	107.0653	0.775	30	107.0589	0.746	38	107.0589	0.746	38	107.3484	3.677	96	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6,6a]	3:4:3:4:	4:4:3:1:	3:4:3:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5]-3:C-4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6,6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(CH3)	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,5,6]C[5,5,6]C[5,5]C)(C[6,6a]C[6,6a]C[6])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<4>,2|O<1>,3|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,5,6]C[5,5,6]C[5,5]C)(C[6,6a]C[6,6a]C[6]){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	105.3100	0.000	1	105.3100	0.000	1	105.3100	0.000	1	106.8308	0.953	12	107.3484	3.677	96	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6,6a]	3:4:3:4:	4:4:3:1:	3:4:3:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5]-3:C-4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a,6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(CH3)	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6,6a])(C[5,5,6]C[5,5,6]C[5,5]C)(C[6a,6a]C[6a,6a]C[6a])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<4>,2|O<1>,3|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6,6a])(C[5,5,6]C[5,5,6]C[5,5]C)(C[6a,6a]C[6a,6a]C[6a]){1|N<2>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	106.1860	0.000	1	106.1860	0.000	1	106.9690	0.796	11	106.8308	0.953	12	107.3484	3.677	96	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6,6a]	3:4:3:4:	4:4:3:1:	3:4:3:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5]-3:C-4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a,6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(CH3)	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,5,6]C[5,5,6]C[5,5]C)(C[6a,6a]C[6a,6a]C[6a])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<4>,2|O<1>,3|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,5,6]C[5,5,6]C[5,5]C)(C[6a,6a]C[6a,6a]C[6a]){1|N<2>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	106.8062	0.854	6	106.7630	0.530	8	106.9690	0.796	11	106.8308	0.953	12	107.3484	3.677	96	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6,6a]	3:4:3:4:	4:4:3:1:	3:4:3:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5]-3:C-4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a,6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(CH3)	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,5,6]C[5,5,6]C[5,5]C)(C[6a,6a]C[6a,6a]C[6a])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<4>,2|O<1>,3|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,5,6]C[5,5,6]C[5,5]C)(C[6a,6a]C[6a,6a]C[6a]){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	106.6335	0.151	2	106.7630	0.530	8	106.9690	0.796	11	106.8308	0.953	12	107.3484	3.677	96	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6,6a]	3:4:3:4:	4:4:3:1:	3:4:3:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5]-3:C-4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a,6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(CH3)	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,5,6]C[5,5,6]C[5,5]C)(C[6a,6a]C[6a,6a]N[6a])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(CH3){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<4>,2|O<1>,3|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,5,6]C[5,5,6]C[5,5]C)(C[6a,6a]C[6a,6a]N[6a]){1|H<1>,1|N<2>,1|O<1>,2|C<4>,4|C<3>}	108.1845	0.579	2	108.1845	0.335	2	106.9690	0.796	11	106.8308	0.953	12	107.3484	3.677	96	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6,6a]	3:4:3:4:	4:4:3:1:	4:3:3:	C[5,6,6a]-3:C[5,5,6]-4:N[5,5]-3:C-4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(N[5,5]C[5,5,6]S)(CH3)	C[5,5,6](C[5,5,6]C[5,6,6a]N[5,5]C)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[5,6,6a](C[5,5,6]C[5,5,6]N[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(N[5,5]C[5,5,6]S)(CH3){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,6,6a]N[5,5]C)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,1|S<4>,3|C<3>}	C[5,6,6a](C[5,5,6]C[5,5,6]N[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	106.6160	0.000	1	106.6160	0.000	1	106.6160	0.000	1	106.6160	0.000	1	107.3484	3.677	96	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6,6a]	3:4:4:1:	3:4:3:1:	3:3:4:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5,6]-4:Cl-1:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5,6]-3:Cl-1:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,5,6]C[5,6,6]2Cl)(Cl)	C[5,5,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,5,6]C[5,6,6]2)(Cl)	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,5,6]C[5,5,6]2Cl)	C[5,5,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,5,6]C[5,6,6]2Cl)(Cl){1|Cl<1>,2|C<4>,5|C<3>}	C[5,5,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,5,6]C[5,6,6]2)(Cl){2|Cl<1>,2|C<4>,5|C<3>}	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,5,6]C[5,5,6]2Cl){3|Cl<1>,8|C<3>}	109.4340	0.000	1	109.4340	0.000	1	109.4340	0.000	1	109.4340	0.000	1	107.3484	3.677	96	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6,6a]	3:4:4:1:	4:4:3:1:	4:3:3:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a,6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]H)(H)	C[5,6,6a](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a,6a]C[6a,6a]C[6a])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){1|C<4>,3|H<1>,4|C<3>}	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]H)(H){2|C<3>,6|H<1>}	C[5,6,6a](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|N<2>,4|C<3>,5|H<1>}	106.4360	0.000	1	106.4360	0.000	1	106.4360	0.000	1	107.3151	0.243	8	107.3484	3.677	96	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6,6a]	3:4:4:1:	4:4:3:1:	4:3:3:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[5,6,6a](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a,6a]C[6a])	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)(C[5,5]C[5,5,6]HH)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,3|C<3>,3|H<1>}	C[5,6,6a](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a,6a]C[6a]){1|C<4>,4|H<1>,6|C<3>}	107.3003	0.147	4	107.3003	0.022	4	107.4863	0.147	6	107.3151	0.243	8	107.3484	3.677	96	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6,6a]	3:4:4:1:	4:4:3:1:	4:3:3:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	C[5,6,6a](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,3|C<3>,3|H<1>}	C[5,6,6a](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,6|H<1>}	107.8585	0.503	2	107.8585	0.253	2	107.4863	0.147	6	107.3151	0.243	8	107.3484	3.677	96	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6,6a]	3:4:4:1:	4:4:3:1:	4:3:3:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,5,6]N[5]H)(N[5]C[5]C)(H)	C[5,6,6a](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]N[5]H)(C[5,5]C[5,5,6]HH)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,5,6]N[5]H)(N[5]C[5]C)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,6,6a](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	107.1670	0.000	1	107.1670	0.000	1	107.1670	0.000	1	107.3151	0.243	8	107.3484	3.677	96	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6,6a]	3:4:4:1:	4:4:3:2:	4:3:3:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5]-4:Cl-1:	C[5,5,6]-4:C[5,6]-4:N[5]-3:O[5]-2:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,6]N[5]O[5])(C[5,5]C[5,5,6]HH)(Cl)	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]Cl)(C[5,6]C[5,5,6]ClH)(N[5]C[5]C)(O[5]C[5])	C[5,6,6a](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,6]N[5]O[5])(C[5,5]C[5,5,6]HH)(Cl){2|Cl<1>,1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]Cl)(C[5,6]C[5,5,6]ClH)(N[5]C[5]C)(O[5]C[5]){1|Cl<1>,1|C<4>,3|C<3>,4|H<1>}	C[5,6,6a](C[5,5,6]C[5,5,6]C[5,5]Cl)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|O<2>,3|H<1>}	105.4590	0.000	1	105.4590	0.000	1	105.4590	0.000	1	105.4590	0.000	1	107.3484	3.677	96	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6,6a]	3:4:4:1:	4:4:4:1:	3:4:3:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]HH)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,5,6]C[5,5,6]C[5,5]H)(C[6a]N[6a]C)	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)(C[5,5]C[5,5,6]HH)(H){1|N<2>,4|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]HH)(H){2|C<3>,5|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,5,6]C[5,5,6]C[5,5]H)(C[6a]N[6a]C){2|C<3>,2|C<4>,4|H<1>}	106.6280	0.000	1	106.6280	0.000	1	106.6280	0.000	1	106.6280	0.000	1	107.3484	3.677	96	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6,6a]	4:3:2:1:	4:4:4:1:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(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[5,6]C[5,6]C[6]H)(H)	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	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[5,6]C[5,6]C[6]H)(H){3|H<1>,4|C<3>}	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	109.2390	0.000	1	109.2390	0.000	1	109.2390	0.000	1	109.2390	0.000	1	107.3484	3.677	96	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6,6a]	4:3:3:1:	4:4:3:1:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:N[5,5]-3:H-1:	C[5,5,6]-4:N[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]N[5,5,6]C[5,6a]H)(C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]Ge[5,5,6]C)(H)	C[5,5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(N[5,5,6]Ge[5,5,6]Ge[5]C)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6,6a](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,6,6a]Ge[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]N[5,5,6]C[5,6a]H)(C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]Ge[5,5,6]C)(H){1|Ge<2>,1|C<4>,1|H<1>,4|C<3>}	C[5,5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(N[5,5,6]Ge[5,5,6]Ge[5]C)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6,6a](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,6,6a]Ge[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<4>,2|H<1>,3|C<3>}	106.7820	0.000	1	106.7820	0.000	1	106.7820	0.000	1	106.7820	0.000	1	107.3484	3.677	96	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	C[5,6,6a]	4:3:4:1:	3:3:4:1:	3:3:4:	C[5,5,6]-4:C[5,6,6a]-3:C[5,5,6]-4:Cl-1:	C[5,5,6a]-3:C[5,6,6a]-3:C[5,5,6]-4:Cl-1:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6a]C[5,6,6a]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]2Cl)(Cl)	C[5,5,6](C[5,5,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(Cl)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6]C[5,5,6]2Cl)	C[5,5,6](C[5,5,6]C[5,5,6a]C[5,6,6a]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]2Cl)(Cl){7|C<3>}	C[5,5,6](C[5,5,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(Cl){1|Cl<1>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6]C[5,5,6]2Cl){2|Cl<1>,8|C<3>}	112.2970	0.000	1	112.2970	0.000	1	112.2970	0.000	1	112.2970	0.000	1	107.3484	3.677	96	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6,6]	C[5,6,6a]	3:4:2:1:	4:4:3:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(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]H)(C[6]C[6,6a]O)(H)	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[5,6a]H)	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])(H){1|O<1>,3|H<1>,4|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]H)(C[6]C[6,6a]O)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[5,6a]H){2|C<3>,2|C<4>,3|H<1>}	106.7600	0.000	1	106.7600	0.000	1	106.7600	0.000	1	107.5127	0.366	4	107.7563	2.175	40	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6,6]	C[5,6,6a]	3:4:2:1:	4:4:3:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:N[6]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]N[6]H)(O[5,5]C[5,5,6])(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[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]N[6]H)(O[5,5]C[5,5,6])(H){4|C<3>,4|H<1>}	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[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	108.1840	0.000	1	108.1840	0.000	1	107.7637	0.171	3	107.5127	0.366	4	107.7563	2.175	40	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6,6]	C[5,6,6a]	3:4:2:1:	4:4:3:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:N[6]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]N[6]H)(O[5,5]C[5,5,6])(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]H)(N[6]C[6,6a]S)(H)	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]N[6]H)(O[5,5]C[5,5,6])(H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	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]H)(N[6]C[6,6a]S)(H){1|C<4>,2|H<1>,4|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	107.7500	0.000	1	107.5535	0.077	2	107.7637	0.171	3	107.5127	0.366	4	107.7563	2.175	40	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6,6]	C[5,6,6a]	3:4:2:1:	4:4:3:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:N[6]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]N[6]H)(O[5,5]C[5,5,6])(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]H)(N[6]C[6,6a]S)(H)	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]N[6]H)(O[5,5]C[5,5,6])(H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	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]H)(N[6]C[6,6a]S)(H){3|H<1>,4|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	107.3570	0.000	1	107.5535	0.077	2	107.7637	0.171	3	107.5127	0.366	4	107.7563	2.175	40	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6,6]	C[5,6,6a]	3:4:2:1:	4:4:4:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(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]C[6,6a]CH)(H)	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	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]C[6,6a]CH)(H){1|H<1>,1|S<4>,4|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	106.9770	0.000	1	106.9770	0.000	1	107.1380	0.052	2	107.8605	0.729	4	107.7563	2.175	40	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6,6]	C[5,6,6a]	3:4:2:1:	4:4:4:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(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]C[6,6a]HH)(H)	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(H){1|N<3>,3|C<3>,5|H<1>}	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]C[6,6a]HH)(H){1|H<1>,1|S<4>,4|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	107.2990	0.000	1	107.2990	0.000	1	107.1380	0.052	2	107.8605	0.729	4	107.7563	2.175	40	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6,6]	C[5,6,6a]	3:4:2:1:	4:4:4:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6]-4:S[5,5]-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]H)(S[5,5]C[5,5,6])(H)	C[5,6,6](C[5,5,6]C[5,6,6a]S[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H)	C[5,6,6a](C[5,5,6]C[5,6,6]S[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]H)(S[5,5]C[5,5,6])(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,6,6a]S[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]HO)(H){1|O<2>,3|C<3>,3|H<1>}	C[5,6,6a](C[5,5,6]C[5,6,6]S[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	108.5830	0.215	2	108.5830	0.046	2	108.5830	0.046	2	107.8605	0.729	4	107.7563	2.175	40	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6,6]	C[5,6,6a]	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[5,6,6a]-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[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]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[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,5|C<3>}	107.0533	1.109	3	107.0533	1.229	3	107.0533	1.229	3	107.0533	1.229	3	107.7563	2.175	40	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6,6]	C[5,6,6a]	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[5,6,6a]-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[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]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[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	105.6980	0.000	1	105.6980	0.000	1	105.6980	0.000	1	105.6980	0.000	1	107.7563	2.175	40	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6,6]	C[5,6,6a]	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[5,6,6a]-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[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]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[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	105.0620	0.000	1	105.0620	0.000	1	105.7500	0.947	2	105.7500	0.947	2	107.7563	2.175	40	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6,6]	C[5,6,6a]	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[5,6,6a]-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[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]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[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	106.4380	0.000	1	106.4380	0.000	1	105.7500	0.947	2	105.7500	0.947	2	107.7563	2.175	40	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6,6]	C[5,6,6a]	3:4:3:1:	4:4:3:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,5]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]C)(H)	C[5,6,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6a]O)(H)	C[5,6,6a](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]C)(H){1|O<1>,3|H<1>,4|C<3>}	C[5,6,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6a]O)(H){1|H<1>,1|O<1>,5|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	106.7535	0.479	8	106.7535	0.229	8	106.7535	0.229	8	106.7535	0.229	8	107.7563	2.175	40	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6,6]	C[5,6,6a]	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[5,6,6a]-3:C[6a,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[5,6,6a](C[5,5,6]C[5,6,6]C[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6,6]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[5,6,6a](C[5,5,6]C[5,6,6]C[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|O<1>,2|H<1>,8|C<3>}	106.9750	0.000	1	106.9750	0.000	1	106.9750	0.000	1	106.9750	0.000	1	107.7563	2.175	40	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6,6]	C[5,6,6a]	3:4:3:3:	4:4:4:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6]-4:C[5]-3:N[5]-3:	C[5,5,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[5,6]C[6,6]H)(C[5]N[5]C)(N[5]C[5]H)	C[5,6,6](C[5,5,6]C[5,6,6a]C[5]N[5])(C[5,6]C[5]C[6]C)(C[6,6]C[6]2H)(H)	C[5,6,6a](C[5,5,6]C[5,6,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6,6a]C[6a]C[6])	C[5,5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[5,6]C[6,6]H)(C[5]N[5]C)(N[5]C[5]H){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[5,6,6](C[5,5,6]C[5,6,6a]C[5]N[5])(C[5,6]C[5]C[6]C)(C[6,6]C[6]2H)(H){1|N<2>,1|O<1>,3|C<3>,3|H<1>,5|C<4>}	C[5,6,6a](C[5,5,6]C[5,6,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6,6a]C[6a]C[6]){2|C<3>,4|H<1>,5|C<4>}	110.0890	0.000	1	110.0890	0.000	1	110.0890	0.000	1	110.0890	0.000	1	107.7563	2.175	40	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6,6]	C[5,6,6a]	3:4:4:1:	4:4:3:1:	3:4:3:	C[5,6,6a]-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]-3:Cl-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6,6,6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[5,5,6]C[5,6,6]2Cl)(C[5,6,6]C[5,6,6]2Cl)(Cl)	C[5,6,6](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2)(Cl)	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,5,6]C[5,5,6]C[5,6,6]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[5,5,6]C[5,6,6]2Cl)(C[5,6,6]C[5,6,6]2Cl)(Cl){2|Cl<1>,3|C<4>,4|C<3>}	C[5,6,6](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2)(Cl){3|Cl<1>,3|C<4>,5|C<3>}	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,5,6]C[5,5,6]C[5,6,6]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6]){4|Cl<1>,4|C<3>,4|C<4>}	111.9320	0.000	1	111.9320	0.000	1	111.9320	0.000	1	110.2645	5.561	2	107.7563	2.175	40	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6,6]	C[5,6,6a]	3:4:4:1:	4:4:3:1:	3:4:3:	C[5,6,6a]-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]-3:Cl-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6,6a,6a]-3:	C[5,5,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6]2Cl)(C[5,6,6]C[5,6,6]2Cl)(Cl)	C[5,6,6](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[6,6,6a]C[5,6,6])(Cl)	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,5,6]C[5,5,6]C[5,6,6]Cl)(C[6,6a,6a]C[5,6,6a]C[3x6a])	C[5,5,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6]2Cl)(C[5,6,6]C[5,6,6]2Cl)(Cl){2|Cl<1>,2|C<4>,5|C<3>}	C[5,6,6](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[6,6,6a]C[5,6,6])(Cl){2|Cl<1>,2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,5,6]C[5,5,6]C[5,6,6]Cl)(C[6,6a,6a]C[5,6,6a]C[3x6a]){3|Cl<1>,2|C<4>,6|C<3>}	108.5970	0.000	1	108.5970	0.000	1	108.5970	0.000	1	110.2645	5.561	2	107.7563	2.175	40	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6,6]	C[5,6,6a]	3:4:4:1:	4:4:4:1:	4:3:2:	C[5,6,6a]-3:C[5,6,6]-4:C[5,5]-4:Cl-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[5,6,6a]-3:N[6a]-2:	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]OO)(Cl)	C[5,6,6](C[5,5,6]C[5,6,6a]C[5,5]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6,6]HH)(H)	C[5,6,6a](C[5,5,6]C[5,6,6]C[5,5]Cl)(C[5,6,6a]C[5,5,6]N[6a])(N[6a]C[6a,6a])	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]OO)(Cl){1|Cl<1>,1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,6,6a]C[5,5]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6,6]HH)(H){1|Cl<1>,1|C<3>,1|N<2>,2|C<4>,2|O<2>,3|H<1>}	C[5,6,6a](C[5,5,6]C[5,6,6]C[5,5]Cl)(C[5,6,6a]C[5,5,6]N[6a])(N[6a]C[6a,6a]){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>,2|O<2>}	108.1731	0.661	8	108.1731	0.437	8	108.1731	0.437	8	108.1731	0.437	8	107.7563	2.175	40	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6,6]	C[5,6,6a]	4:3:2:1:	4:4:3:1:	4:3:3:	C[5,6,6]-4:C[5,6,6a]-3:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6,6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-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)	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[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[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){1|N<3>,3|H<1>,4|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]N[6]H)(C[6,6a]C[6,6a]C[6a])(H){3|H<1>,5|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	108.5080	0.000	1	108.5080	0.000	1	108.5080	0.000	1	108.5080	0.000	1	107.7563	2.175	40	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6,6]	C[5,6,6a]	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[5,6,6a]-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[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]C[6a])(C[5,6,6a]P[5,5,6]C[6a])(C[6a]C[6a]H)	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[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]C[6a])(C[5,6,6a]P[5,5,6]C[6a])(C[6a]C[6a]H){1|Mo<6>,1|C<4>,3|H<1>,4|C<3>}	109.7740	0.000	1	109.7740	0.000	1	109.7740	0.000	1	109.7740	0.000	1	107.7563	2.175	40	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6,6]	C[5,6,6a]	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[5,6,6a]-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[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	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[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	107.1420	0.000	1	107.1420	0.000	1	107.1420	0.000	1	106.7625	0.288	2	107.7563	2.175	40	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6,6]	C[5,6,6a]	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[5,6,6a]-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[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	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[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	106.3830	0.000	1	106.3830	0.000	1	106.3830	0.000	1	106.7625	0.288	2	107.7563	2.175	40	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6,6]	C[5,6,6a]	4:3:4:1:	3:4:3:1:	3:3:4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,5,6]-4:Cl-1:	C[6,6,6a]-3:C[5,5,6]-4:C[5,6,6a]-3:Cl-1:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,5,6]-4:	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[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[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,5,6]C[5,5,6]C[5,6,6]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){1|Cl<1>,7|C<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){1|Cl<1>,2|C<4>,6|C<3>}	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,5,6]C[5,5,6]C[5,6,6]Cl){3|Cl<1>,8|C<3>}	110.3330	0.000	1	110.3330	0.000	1	110.3330	0.000	1	110.3330	0.000	1	107.7563	2.175	40	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6,6]	C[5,6,6a]	4:4:3:1:	3:3:4:1:	3:4:3:	C[5,6,6]-4:C[5,5,6]-4:C[5,6,6a]-3:Cl-1:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,5,6]-4:Cl-1:	C[5,6,6a]-3:C[5,5,6]-4:C[5,6,6a]-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)	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[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6]C[5,5,6]C[5,6,6]Cl)(C[5,6,6a]C[5,6,6a]C[5,6,6])	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[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[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6]C[5,5,6]C[5,6,6]Cl)(C[5,6,6a]C[5,6,6a]C[5,6,6]){3|Cl<1>,1|C<4>,7|C<3>}	111.2560	0.000	1	111.2560	0.000	1	111.2560	0.000	1	111.2560	0.000	1	107.7563	2.175	40	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,5a,6]	3:4:4:1:	4:4:1:1:	3:4:3:	C[5,5a,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5a,6]-3:C[5,5,6]-4:C[5a]-3:	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5a,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5a,6](C[5,5a,6]C[5,5,6]N[5a])(C[5,5,6]C[5,5]C[5,6]H)(C[5a]N[5a]C[6])	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(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>,1|N<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5a,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,3|C<4>}	C[5,5a,6](C[5,5a,6]C[5,5,6]N[5a])(C[5,5,6]C[5,5]C[5,6]H)(C[5a]N[5a]C[6]){1|Pt<4>,1|C<3>,1|N<3>,2|H<1>,4|C<4>}	105.4702	0.518	4	105.4702	0.268	4	105.0740	1.189	13	105.0740	1.189	13	104.6172	2.214	28	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,5a,6]	3:4:4:1:	4:4:1:1:	3:4:3:	C[5,5a,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5a,6]-3:C[5,5,6]-4:C[5a]-3:	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5a,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5a,6](C[5,5a,6]C[5,5,6]N[5a])(C[5,5,6]C[5,5]C[5,6]H)(C[5a]N[5a]H)	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5a,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,3|C<4>}	C[5,5a,6](C[5,5a,6]C[5,5,6]N[5a])(C[5,5,6]C[5,5]C[5,6]H)(C[5a]N[5a]H){1|C<3>,2|H<1>,4|C<4>}	104.4512	1.308	6	104.7314	1.509	8	105.0740	1.189	13	105.0740	1.189	13	104.6172	2.214	28	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,5a,6]	3:4:4:1:	4:4:1:1:	3:4:3:	C[5,5a,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5a,6]-3:C[5,5,6]-4:C[5a]-3:	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5a,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,5a,6](C[5,5a,6]C[5,5,6]N[5a])(C[5,5,6]C[5,5]C[5,6]H)(C[5a]N[5a]H)	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5a,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,3|C<4>}	C[5,5a,6](C[5,5a,6]C[5,5,6]N[5a])(C[5,5,6]C[5,5]C[5,6]H)(C[5a]N[5a]H){2|H<1>,5|C<4>}	105.5720	0.342	2	104.7314	1.509	8	105.0740	1.189	13	105.0740	1.189	13	104.6172	2.214	28	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,5a,6]	3:4:4:1:	4:4:1:1:	3:4:3:	C[5,5a,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5a,6]-3:C[5,5,6]-4:C[5a]-3:	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(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[5,5a,6](C[5,5a,6]C[5,5,6]C[5a])(C[5,5,6]C[5,5]C[5,6]H)(C[5a]N[5a]H)	C[5,5,6](C[5,5a,6]C[5,5a,6]C[5a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|N<3>,2|H<1>,3|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[5,5a,6](C[5,5a,6]C[5,5,6]C[5a])(C[5,5,6]C[5,5]C[5,6]H)(C[5a]N[5a]H){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	106.2300	0.000	1	106.2300	0.000	1	105.0740	1.189	13	105.0740	1.189	13	104.6172	2.214	28	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,5a,6]	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[5,5a,6]-3:C[5a]-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[5,5a,6](C[5,5,6]C[3x5]C[5,6]C[6a])(C[5,5a,6]C[3x5,6]C[5a])(C[5a]N[5a]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){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[5,5a,6](C[5,5,6]C[3x5]C[5,6]C[6a])(C[5,5a,6]C[3x5,6]C[5a])(C[5a]N[5a]H){1|S<4>,3|C<3>,3|C<4>,3|H<1>}	106.1255	0.296	2	106.1255	0.088	2	106.1255	0.088	2	106.5560	0.600	3	104.6172	2.214	28	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,5a,6]	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[5,5a,6]-3:C[5a]-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[5,5a,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,5a,6]C[5,5,6]C[5a])(C[5a]N[5a]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){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[5,5a,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,5a,6]C[5,5,6]C[5a])(C[5a]N[5a]H){1|C<4>,1|S<4>,3|C<3>,5|H<1>}	107.4170	0.000	1	107.4170	0.000	1	107.4170	0.000	1	106.5560	0.600	3	104.6172	2.214	28	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,5a,6]	3:4:4:4:	4:4:1:1:	3:4:2:	C[5,5a,6]-3:C[5,5]-4:C[5,6]-4:C-4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5a,6]-3:C[5,5,6]-4:N[5a]-2:	C[5,5,6](C[5,5a,6]C[5,5a,6]N[5a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	C[5,6](C[5,5,6]C[5,5a,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5a,6](C[5,5a,6]C[5,5,6]C[5a])(C[5,5,6]C[5,5]C[5,6]C)(N[5a]N[5a])	C[5,5,6](C[5,5a,6]C[5,5a,6]N[5a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|C<3>,1|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5a,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5,5a,6](C[5,5a,6]C[5,5,6]C[5a])(C[5,5,6]C[5,5]C[5,6]C)(N[5a]N[5a]){1|C<3>,3|C<4>,4|H<1>}	102.6828	1.042	6	103.6377	1.711	12	103.6377	1.711	12	103.6377	1.711	12	104.6172	2.214	28	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,5a,6]	3:4:4:4:	4:4:1:1:	3:4:2:	C[5,5a,6]-3:C[5,5]-4:C[5,6]-4:C-4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5a,6]-3:C[5,5,6]-4:N[5a]-2:	C[5,5,6](C[5,5a,6]C[5,5a,6]N[5a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	C[5,6](C[5,5,6]C[5,5a,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5a,6](C[5,5a,6]C[5,5,6]C[5a])(C[5,5,6]C[5,5]C[5,6]C)(N[5a]N[5a])	C[5,5,6](C[5,5a,6]C[5,5a,6]N[5a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|C<3>,1|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5a,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5,5a,6](C[5,5a,6]C[5,5,6]C[5a])(C[5,5,6]C[5,5]C[5,6]C)(N[5a]N[5a]){1|Pt<4>,1|C<3>,3|C<4>,3|H<1>}	104.9818	0.431	4	103.6377	1.711	12	103.6377	1.711	12	103.6377	1.711	12	104.6172	2.214	28	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,5a,6]	3:4:4:4:	4:4:1:1:	3:4:2:	C[5,5a,6]-3:C[5,5]-4:C[5,6]-4:C-4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5a,6]-3:C[5,5,6]-4:N[5a]-2:	C[5,5,6](C[5,5a,6]C[5,5a,6]N[5a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	C[5,6](C[5,5,6]C[5,5a,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,5a,6](C[5,5a,6]C[5,5,6]C[5a])(C[5,5,6]C[5,5]C[5,6]C)(N[5a]N[5a])	C[5,5,6](C[5,5a,6]C[5,5a,6]N[5a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|C<3>,1|N<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5a,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5,5a,6](C[5,5a,6]C[5,5,6]C[5a])(C[5,5,6]C[5,5]C[5,6]C)(N[5a]N[5a]){4|C<4>,4|H<1>}	103.8145	0.276	2	103.6377	1.711	12	103.6377	1.711	12	103.6377	1.711	12	104.6172	2.214	28	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6,6a]	3:3:4:1:	4:4:1:1:	3:4:3:	C[5,6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6]C[5,5,6]HP)(H)2	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]H)(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(H){1|P<3>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6]C[5,5,6]HP)(H)2{1|H<1>,3|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	108.0370	0.553	2	108.0370	0.306	2	107.2177	2.167	3	107.2177	2.167	3	106.2900	2.374	153	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6,6a]	3:3:4:1:	4:4:1:1:	3:4:3:	C[5,6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]S)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6]C[5,5,6]CH)(H)2	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]H)(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]S)(C[5,6]C[5,6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6]C[5,5,6]CH)(H)2{1|H<1>,1|S<4>,2|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	105.5790	0.000	1	105.5790	0.000	1	107.2177	2.167	3	107.2177	2.167	3	106.2900	2.374	153	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6,6a]	3:3:4:1:	4:4:2:2:	3:4:3:	C[5,6,6a]-3:C[3x5]-3:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-2:C-2:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3x5]C[3x5,6]C[5])(C[5,6]C[5,6]CC)(H)	C[5,6](C[5,5,6]C[5,6,6a]C[3x5]H)(C[5,6]C[3x5,6]CC)(CN)2	C[5,6,6a](C[5,6,6a]C[3x5,6]C[6a,6a])(C[5,5,6]C[3x5]C[5,6]H)(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3x5]C[3x5,6]C[5])(C[5,6]C[5,6]CC)(H){1|Si<4>,1|H<1>,2|C<2>,4|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]C[3x5]H)(C[5,6]C[3x5,6]CC)(CN)2{4|C<3>}	C[5,6,6a](C[5,6,6a]C[3x5,6]C[6a,6a])(C[5,5,6]C[3x5]C[5,6]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<2>,4|C<3>}	105.7510	0.000	1	105.7510	0.000	1	105.7510	0.000	1	105.7510	0.000	1	106.2900	2.374	153	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6,6a]	3:3:4:1:	4:4:3:1:	3:4:3:	C[5,6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:P-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HP)(H)	C[5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6]C[5,5,6]HH)(PC[6a]2)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]H)(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HP)(H){2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6]C[5,5,6]HH)(PC[6a]2)(H){1|H<1>,3|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]H)(C[6a]C[6a]H){1|C<4>,1|P<3>,2|C<3>,4|H<1>}	104.5545	0.066	2	104.5545	0.004	2	104.5545	0.004	2	104.5545	0.004	2	106.2900	2.374	153	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6,6a]	3:3:4:1:	4:4:4:1:	3:4:3:	C[5,6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]S)(C[5,6]C[5,6]CH)(H)	C[5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6]C[5,5,6]HH)(CC[6a]HH)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]H)(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]S)(C[5,6]C[5,6]CH)(H){2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6]C[5,5,6]HH)(CC[6a]HH)(H){1|H<1>,1|S<4>,2|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]H)(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	107.2100	0.000	1	107.2100	0.000	1	107.2100	0.000	1	107.2100	0.000	1	106.2900	2.374	153	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6,6a]	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[5,6,6a]-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[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]C)	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[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]C){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	107.2820	0.000	1	107.2820	0.000	1	107.2820	0.000	1	107.2820	0.000	1	106.2900	2.374	153	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6,6a]	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[5,6,6a]-3:C[6a,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[5,6,6a](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6,6a]C[5,5,6]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5]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[5,6,6a](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6,6a]C[5,5,6]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|O<1>,2|H<1>,8|C<3>}	105.0780	0.000	1	105.0780	0.000	1	105.0780	0.000	1	105.0780	0.000	1	106.2900	2.374	153	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6,6a]	3:4:2:1:	4:3:4:1:	3:4:3:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[6a]-3:C[5,6]-4:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[6a]H)(O[5,5]C[5,5,6])(H)	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[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(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[6a]H)(O[5,5]C[5,5,6])(H){1|Si<4>,3|H<1>,4|C<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){1|Si<4>,1|H<1>,5|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	105.1060	0.000	1	105.1060	0.000	1	105.1060	0.000	1	105.1060	0.000	1	106.2900	2.374	153	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6,6a]	3:4:2:1:	4:4:1:1:	3:4:3:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]CH)(H)2	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]C)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]CH)(H)2{1|H<1>,2|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]C){1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	107.0200	0.000	1	107.0200	0.000	1	107.6549	0.126	8	107.6549	0.126	8	106.2900	2.374	153	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6,6a]	3:4:2:1:	4:4:1:1:	3:4:3:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]CH)(H)2	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]CH)(H)2{1|H<1>,2|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,5|H<1>}	107.8090	0.158	2	107.8090	0.025	2	107.6549	0.126	8	107.6549	0.126	8	106.2900	2.374	153	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6,6a]	3:4:2:1:	4:4:1:1:	3:4:3:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H){3|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{3|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	107.5410	0.000	1	107.5410	0.000	1	107.6549	0.126	8	107.6549	0.126	8	106.2900	2.374	153	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6,6a]	3:4:2:1:	4:4:1:1:	3:4:3:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HP)(H)2	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6,6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H){1|P<3>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HP)(H)2{1|H<1>,2|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6,6a]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	107.3330	0.000	1	107.3330	0.000	1	107.6549	0.126	8	107.6549	0.126	8	106.2900	2.374	153	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6,6a]	3:4:2:1:	4:4:1:1:	3:4:3:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HP)(H)2	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H){1|P<3>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HP)(H)2{1|H<1>,2|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,5|H<1>}	107.9030	0.314	2	107.9030	0.099	2	107.6549	0.126	8	107.6549	0.126	8	106.2900	2.374	153	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6,6a]	3:4:2:1:	4:4:1:1:	3:4:3:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HS)(H)2	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(H){1|S<2>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HS)(H)2{1|H<1>,2|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	107.9210	0.000	1	107.9210	0.000	1	107.6549	0.126	8	107.6549	0.126	8	106.2900	2.374	153	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6,6a]	3:4:2:1:	4:4:2:1:	3:4:3:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:C-2:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HH)(CC)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]C)	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])(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HH)(CC)(H){1|H<1>,2|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]C){1|Br<1>,1|C<2>,1|C<3>,2|C<4>,2|H<1>}	106.8890	0.000	1	106.8890	0.000	1	106.8890	0.000	1	107.3220	0.375	2	106.2900	2.374	153	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6,6a]	3:4:2:1:	4:4:2:1:	3:4:3:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:S-2:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HS)(O[5,5]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HH)(SC[6a])(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(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]HS)(O[5,5]C[5,5,6])(H){2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HH)(SC[6a])(H){1|H<1>,2|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,1|S<2>,3|H<1>}	107.7550	0.000	1	107.7550	0.000	1	107.7550	0.000	1	107.3220	0.375	2	106.2900	2.374	153	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6,6a]	3:4:2:1:	4:4:3:1:	3:4:3:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]C[3]H)(CCO)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]O)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H){1|C<4>,1|H<1>,1|O<2>,3|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[3]H)(CCO)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]O){2|C<4>,2|H<1>,3|C<3>}	107.2580	0.000	1	107.2580	0.000	1	107.1177	0.061	3	107.1480	0.055	7	106.2900	2.374	153	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6,6a]	3:4:2:1:	4:4:3:1:	3:4:3:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HH)(CC[6a]O)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(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]CH)(O[5,5]C[5,5,6])(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HH)(CC[6a]O)(H){1|C<4>,2|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	107.2620	0.000	1	107.2620	0.000	1	107.1177	0.061	3	107.1480	0.055	7	106.2900	2.374	153	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6,6a]	3:4:2:1:	4:4:3:1:	3:4:3:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HO)(CCO)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]O)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HO)(CCO)(H){1|C<4>,2|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	106.8330	0.000	1	106.8330	0.000	1	107.1177	0.061	3	107.1480	0.055	7	106.2900	2.374	153	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6,6a]	3:4:2:1:	4:4:3:1:	3:4:3:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[6a]H)(O[5,5]C[5,5,6])(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)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(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[6a]H)(O[5,5]C[5,5,6])(H){1|Si<4>,3|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]SiH)(C[6a]C[6a]2)(H){1|Si<4>,2|H<1>,4|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	106.9250	0.000	1	106.9250	0.000	1	106.9250	0.000	1	107.1480	0.055	7	106.2900	2.374	153	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6,6a]	3:4:2:1:	4:4:3:1:	3:4:3:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:P-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HP)(O[5,5]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HH)(PC[6a]2)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6,6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HP)(O[5,5]C[5,5,6])(H){2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HH)(PC[6a]2)(H){1|H<1>,2|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6,6a]H){1|C<3>,1|C<4>,1|O<2>,1|P<3>,3|H<1>}	107.5210	0.000	1	107.5210	0.000	1	107.2527	0.061	3	107.1480	0.055	7	106.2900	2.374	153	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6,6a]	3:4:2:1:	4:4:3:1:	3:4:3:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:P-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HP)(O[5,5]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HH)(PC[6a]2)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(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]HP)(O[5,5]C[5,5,6])(H){2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HH)(PC[6a]2)(H){1|H<1>,2|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|P<3>,4|H<1>}	107.1185	0.122	2	107.1185	0.015	2	107.2527	0.061	3	107.1480	0.055	7	106.2900	2.374	153	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6,6a]	3:4:2:1:	4:4:4:1:	3:4:3:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HH)(CCHH)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(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]CH)(O[5,5]C[5,5,6])(H){2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HH)(CCHH)(H){1|H<1>,2|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	108.8210	0.362	2	108.8210	0.131	2	108.8210	0.131	2	108.6298	0.386	5	106.2900	2.374	153	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6,6a]	3:4:2:1:	4:4:4:1:	3:4:3:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:C[3]-4:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[3]H)(O[5,5]C[5,5,6])(H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]CH)(C[3]C[3]O[3]H)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]O)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[3]H)(O[5,5]C[5,5,6])(H){1|C<4>,2|H<1>,2|O<2>,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]CH)(C[3]C[3]O[3]H)(H){1|H<1>,4|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]O){2|C<3>,2|H<1>,3|C<4>}	107.5860	0.000	1	107.5860	0.000	1	107.5860	0.000	1	108.6298	0.386	5	106.2900	2.374	153	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6,6a]	3:4:2:1:	4:4:4:1:	3:4:3:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-4:Si-4:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]SiH)(O[5,5]C[5,5,6])(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[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(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]SiH)(O[5,5]C[5,5,6])(H){3|C<3>,3|H<1>}	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[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|C<4>,4|H<1>}	108.9605	0.173	2	108.9605	0.030	2	108.9605	0.030	2	108.6298	0.386	5	106.2900	2.374	153	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6,6a]	3:4:2:2:	4:4:1:1:	3:4:3:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:S-2:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(SC[6a])	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]S)(C[5,6]C[5,5,6]CH)(H)2	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]S)(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(SC[6a]){2|H<1>,4|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]S)(C[5,6]C[5,5,6]CH)(H)2{3|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]S)(C[6a]C[6a]H){2|Cl<1>,1|C<3>,1|C<4>,1|N<2>,2|H<1>}	106.2780	0.000	1	106.2780	0.000	1	106.2780	0.000	1	106.2780	0.000	1	106.2900	2.374	153	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6,6a]	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[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]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[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]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[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){3|H<1>,6|C<3>}	108.6790	0.000	1	108.6790	0.000	1	108.6790	0.000	1	108.6790	0.000	1	106.2900	2.374	153	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6,6a]	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[5,6,6a]-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[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[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]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[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|P<4>,2|H<1>,6|C<3>}	106.9377	2.251	3	106.9377	5.065	3	106.9377	5.065	3	106.9377	5.065	3	106.2900	2.374	153	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6,6a]	3:4:2:3:	4:4:1:1:	3:4:3:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:C-3:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(CNO)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]F)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(CNO){1|F<1>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|H<1>,2|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]F){1|C<3>,1|C<4>,5|H<1>}	106.3830	0.000	1	106.3830	0.000	1	106.3830	0.000	1	106.3830	0.000	1	106.2900	2.374	153	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6,6a]	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[5,6,6a]-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[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]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[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|P<4>,4|C<3>,4|H<1>}	107.0980	0.000	1	107.0980	0.000	1	107.0980	0.000	1	107.0980	0.000	1	106.2900	2.374	153	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6,6a]	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[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]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[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]N[6a]Cl)	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[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]N[6a]Cl){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	106.4490	0.000	1	106.4490	0.000	1	106.4490	0.000	1	106.4490	0.000	1	106.2900	2.374	153	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6,6a]	3:4:2:4:	4:3:1:1:	3:4:3:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:C-4:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(CH3)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]C)(H)2	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]C)(H)2{1|C<4>,2|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	105.6580	0.000	1	105.6580	0.000	1	105.6580	0.000	1	105.6580	0.000	1	106.2900	2.374	153	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6,6a]	3:4:2:4:	4:4:1:1:	3:4:3:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:C-4:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(CHHN)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,5,6]C[3x5,6]C[5]H)(H)2	C[5,6,6a](C[5,6,6a]C[3x5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(CHHN){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,5,6]C[3x5,6]C[5]H)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,6,6a]C[3x5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	107.7920	0.980	2	107.7920	0.960	2	107.7920	0.960	2	107.7767	0.481	3	106.2900	2.374	153	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6,6a]	3:4:2:4:	4:4:1:1:	3:4:3:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:C-4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(CHHO)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]CH)(H)2	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(CHHO){3|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]CH)(H)2{1|H<1>,2|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,5|H<1>}	107.7460	0.000	1	107.7460	0.000	1	107.7460	0.000	1	107.7767	0.481	3	106.2900	2.374	153	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6,6a]	3:4:2:4:	4:4:2:1:	3:4:3:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:C-4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(CH3)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]CH)(OH)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]O)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(CH3){1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]CH)(OH)(H){1|H<1>,2|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]O){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	107.1400	0.000	1	107.1400	0.000	1	107.1400	0.000	1	107.1400	0.000	1	106.2900	2.374	153	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6,6a]	3:4:3:1:	4:4:4:1:	3:4:3:	C[5,6,6a]-3:C[5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:S-4:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,5,6]HS)(N[5,5]C[5,5,6]C)(H)	C[5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,5,6]C[5,5,6]O[5]2)(SC[6a]OO)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]H)(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,5,6]HS)(N[5,5]C[5,5,6]C)(H){2|C<3>,2|H<1>,2|O<2>}	C[5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,5,6]C[5,5,6]O[5]2)(SC[6a]OO)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]H)(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	105.0050	0.000	1	105.0050	0.000	1	105.0050	0.000	1	105.0050	0.000	1	106.2900	2.374	153	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6,6a]	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[5,6,6a]-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[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]C)	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[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]C){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	106.1020	0.000	1	106.1020	0.000	1	106.1020	0.000	1	106.1020	0.000	1	106.2900	2.374	153	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6,6a]	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[5,6,6a]-3:C[6a,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[5,6,6a](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6,6a]C[5,5,6]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6]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[5,6,6a](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6,6a]C[5,5,6]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|O<1>,2|H<1>,8|C<3>}	104.2670	0.000	1	104.2670	0.000	1	104.2670	0.000	1	104.2670	0.000	1	106.2900	2.374	153	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6,6a]	3:4:4:1:	4:4:1:1:	3:4:2:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:N[6a]-2:	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]H)(N[6a]C[5,6,6a])	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|N<2>,3|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]H)(N[6a]C[5,6,6a]){1|C<3>,2|H<1>,5|C<4>}	104.2600	0.645	2	104.2600	0.416	2	104.1820	0.234	5	104.1820	0.234	5	106.2900	2.374	153	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6,6a]	3:4:4:1:	4:4:1:1:	3:4:2:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:N[6a]-2:	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]H)(N[6a]C[6a,6a])	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|N<2>,3|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]H)(N[6a]C[6a,6a]){2|C<3>,2|H<1>,4|C<4>}	103.8615	0.257	2	103.8615	0.066	2	104.1820	0.234	5	104.1820	0.234	5	106.2900	2.374	153	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6,6a]	3:4:4:1:	4:4:1:1:	3:4:2:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:N[6a]-2:	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]H)(N[6a]C[6a])	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|N<2>,3|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]H)(N[6a]C[6a]){1|C<3>,3|H<1>,4|C<4>}	104.6670	0.000	1	104.6670	0.000	1	104.1820	0.234	5	104.1820	0.234	5	106.2900	2.374	153	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6,6a]	3:4:4:1:	4:4:1:1:	3:4:3:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:Br-1:Br-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]Br2)(H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]BrH)(Br)2	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]Br2)(H){1|Br<1>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]BrH)(Br)2{2|C<3>,3|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H){2|Br<1>,1|C<3>,1|C<4>,5|H<1>}	107.2810	0.000	1	107.2810	0.000	1	107.2810	0.000	1	105.9678	0.980	86	106.2900	2.374	153	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6,6a]	3:4:4:1:	4:4:1:1:	3:4:3:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:Br-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]BrH)(C[5,6]C[5,6]BrH)(H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]BrH)(Br)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]BrH)(C[5,6]C[5,6]BrH)(H){2|Br<1>,2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]BrH)(Br)(H){2|Br<1>,1|H<1>,2|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H){3|Br<1>,1|C<3>,1|C<4>,4|H<1>}	102.9430	0.000	1	102.9430	0.000	1	105.7930	16.245	2	105.9678	0.980	86	106.2900	2.374	153	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6,6a]	3:4:4:1:	4:4:1:1:	3:4:3:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:Br-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrH)(H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]Br2)(Br)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]BrH)(H){2|Br<1>,2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]Br2)(Br)(H){2|C<3>,3|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,6|H<1>}	108.6430	0.000	1	108.6430	0.000	1	105.7930	16.245	2	105.9678	0.980	86	106.2900	2.374	153	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6,6a]	3:4:4:1:	4:4:1:1:	3:4:3:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]N[6a])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,3|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]N[6a]){2|H<1>,3|C<3>,4|C<4>}	104.7380	0.000	1	104.7380	0.000	1	105.9562	0.796	83	105.9678	0.980	86	106.2900	2.374	153	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6,6a]	3:4:4:1:	4:4:1:1:	3:4:3:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H){2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|H<1>,3|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,6|H<1>}	105.7715	1.531	2	105.7715	2.344	2	105.9562	0.796	83	105.9678	0.980	86	106.2900	2.374	153	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6,6a]	3:4:4:1:	4:4:1:1:	3:4:3:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]C)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){3|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,3|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]C){1|C<3>,2|C<4>,6|H<1>}	105.9219	0.938	15	105.9219	0.880	15	105.9562	0.796	83	105.9678	0.980	86	106.2900	2.374	153	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6,6a]	3:4:4:1:	4:4:1:1:	3:4:3:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,3|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]H){1|C<3>,1|I<1>,2|C<4>,5|H<1>}	106.6040	0.561	4	106.1004	1.086	32	105.9562	0.796	83	105.9678	0.980	86	106.2900	2.374	153	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6,6a]	3:4:4:1:	4:4:1:1:	3:4:3:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,3|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]H){1|C<3>,1|I<2>,2|C<4>,5|H<1>}	104.7210	1.121	4	106.1004	1.086	32	105.9562	0.796	83	105.9678	0.980	86	106.2900	2.374	153	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6,6a]	3:4:4:1:	4:4:1:1:	3:4:3:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,3|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]H){1|C<3>,1|I<3>,2|C<4>,5|H<1>}	107.0415	0.603	2	106.1004	1.086	32	105.9562	0.796	83	105.9678	0.980	86	106.2900	2.374	153	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6,6a]	3:4:4:1:	4:4:1:1:	3:4:3:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,3|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]H){1|C<3>,2|C<4>,6|H<1>}	106.0480	0.705	6	106.1004	1.086	32	105.9562	0.796	83	105.9678	0.980	86	106.2900	2.374	153	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6,6a]	3:4:4:1:	4:4:1:1:	3:4:3:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,3|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]H){2|C<3>,2|C<4>,5|H<1>}	106.2214	1.016	16	106.1004	1.086	32	105.9562	0.796	83	105.9678	0.980	86	106.2900	2.374	153	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6,6a]	3:4:4:1:	4:4:1:1:	3:4:3:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]I)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|I<1>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,3|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]I){1|C<3>,2|C<4>,6|H<1>}	106.2032	0.128	4	106.3141	0.458	10	105.9562	0.796	83	105.9678	0.980	86	106.2900	2.374	153	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6,6a]	3:4:4:1:	4:4:1:1:	3:4:3:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]I)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|I<2>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,3|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]I){1|C<3>,2|C<4>,6|H<1>}	106.0072	0.731	4	106.3141	0.458	10	105.9562	0.796	83	105.9678	0.980	86	106.2900	2.374	153	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6,6a]	3:4:4:1:	4:4:1:1:	3:4:3:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]I)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|I<3>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,3|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]I){1|C<3>,2|C<4>,6|H<1>}	107.1495	0.804	2	106.3141	0.458	10	105.9562	0.796	83	105.9678	0.980	86	106.2900	2.374	153	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6,6a]	3:4:4:1:	4:4:1:1:	3:4:3:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]O)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,3|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]O){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	105.6082	0.588	18	105.6082	0.346	18	105.9562	0.796	83	105.9678	0.980	86	106.2900	2.374	153	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6,6a]	3:4:4:1:	4:4:1:1:	3:4:3:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a,6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(H)2{2|C<3>,3|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a,6a]H){1|C<4>,2|C<3>,6|H<1>}	105.9257	0.617	4	105.9257	0.380	4	105.9562	0.796	83	105.9678	0.980	86	106.2900	2.374	153	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6,6a]	3:4:4:1:	4:4:1:1:	3:4:3:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HO)(H)2	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HO)(H)2{2|C<3>,3|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,7|H<1>}	106.2510	0.000	1	106.2510	0.000	1	105.9562	0.796	83	105.9678	0.980	86	106.2900	2.374	153	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6,6a]	3:4:4:1:	4:4:1:1:	4:3:3:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:Br-1:	C[5,5,6]-4:C[5,6]-4:Br-1:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]BrH)(C[5,6]C[5,6]BrH)(Br)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]Br)(C[5,6]C[5,5,6]BrH)(Br)(H)	C[5,6,6a](C[5,5,6]C[5,5]C[5,6]Br)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]BrH)(C[5,6]C[5,6]BrH)(Br){1|Br<1>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]Br)(C[5,6]C[5,5,6]BrH)(Br)(H){1|Br<1>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,5,6]C[5,5]C[5,6]Br)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|Br<1>,1|C<3>,1|C<4>,5|H<1>}	109.6230	0.000	1	109.6230	0.000	1	109.6230	0.000	1	109.0740	0.603	2	106.2900	2.374	153	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6,6a]	3:4:4:1:	4:4:1:1:	4:3:3:	C[5,6,6a]-3:C[5,6]-4:C[5,5]-4:Cl-1:	C[5,5,6]-4:C[5,5,6]-4:Cl-1:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,5,6]ClH)(C[5,5]C[5,5,6]HH)(Cl)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]Cl)(C[5,5,6]C[5,5,6]N[5]O[5])(Cl)(H)	C[5,6,6a](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,5,6]ClH)(C[5,5]C[5,5,6]HH)(Cl){1|Cl<1>,1|N<3>,2|C<3>,2|O<2>}	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]Cl)(C[5,5,6]C[5,5,6]N[5]O[5])(Cl)(H){1|Cl<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,6,6a](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O){2|Cl<1>,1|C<3>,1|C<4>,1|O<2>,4|H<1>}	108.5250	0.000	1	108.5250	0.000	1	108.5250	0.000	1	109.0740	0.603	2	106.2900	2.374	153	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6,6a]	3:4:4:1:	4:4:2:1:	3:4:3:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(OC)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H){2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(OC)(H){2|C<3>,3|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	106.6470	0.000	1	106.6470	0.000	1	107.2043	0.615	3	107.2043	0.615	3	106.2900	2.374	153	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6,6a]	3:4:4:1:	4:4:2:1:	3:4:3:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HO)(OH)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H){1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HO)(OH)(H){2|C<3>,3|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	107.4830	0.874	2	107.4830	0.764	2	107.2043	0.615	3	107.2043	0.615	3	106.2900	2.374	153	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6,6a]	3:4:4:3:	4:4:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6]-4:C[5]-4:C[5]-3:	C[5,5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[5]O[5]O)	C[5,6](C[5,5,6]C[5,6,6a]C[5]2)(C[5]C[5]CC)(C[6]C[6]H)(CH3)	C[5,6,6a](C[5,5,6]C[5,6]C[5]2)(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[5,5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[5]O[5]O){2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]C[5]2)(C[5]C[5]CC)(C[6]C[6]H)(CH3){1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[5,6,6a](C[5,5,6]C[5,6]C[5]2)(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	112.0985	0.510	2	112.0985	0.260	2	112.0985	0.260	2	112.0985	0.260	2	106.2900	2.374	153	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6,6a]	3:4:4:4:	4:3:4:1:	3:4:3:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:C-4:	C[5,5,6]-4:N[5,5,6]-3:C-4:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[3x5,6]CH)(C[5,6]N[5,5,6]CH)(CH3)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]C)(N[5,5,6]C[3x5,6]S[5])(CCHH)(H)	C[5,6,6a](C[5,6,6a]C[3x5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]C)(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[3x5,6]CH)(C[5,6]N[5,5,6]CH)(CH3){1|H<1>,1|S<4>,3|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]C)(N[5,5,6]C[3x5,6]S[5])(CCHH)(H){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	C[5,6,6a](C[5,6,6a]C[3x5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	106.9900	0.000	1	106.9900	0.000	1	106.9900	0.000	1	106.9900	0.000	1	106.2900	2.374	153	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6,6a]	3:4:4:4:	4:4:1:1:	3:4:2:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:C-4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:N[6a]-2:	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]C)(N[6a]C[6a])	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]C)(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,3|C<4>,3|H<1>}	102.8850	0.000	1	102.8850	0.000	1	103.3030	0.199	6	103.3030	0.199	6	106.2900	2.374	153	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6,6a]	3:4:4:4:	4:4:1:1:	3:4:2:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:C-4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:N[6a]-2:	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]C)(N[6a]C[5,6,6a])	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|C<3>,1|N<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]C)(N[6a]C[5,6,6a]){1|C<3>,3|H<1>,4|C<4>}	103.3695	0.445	2	103.3695	0.198	2	103.3030	0.199	6	103.3030	0.199	6	106.2900	2.374	153	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6,6a]	3:4:4:4:	4:4:1:1:	3:4:2:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:C-4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:N[6a]-2:	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]C)(N[6a]C[6a,6a])	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|C<3>,1|N<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]C)(N[6a]C[6a,6a]){2|C<3>,3|C<4>,3|H<1>}	103.1140	0.318	2	103.1140	0.101	2	103.3030	0.199	6	103.3030	0.199	6	106.2900	2.374	153	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	C[5,6,6a]	3:4:4:4:	4:4:1:1:	3:4:2:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:C-4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:N[6a]-2:	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]C)(N[6a]C[6a])	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|C<3>,1|N<2>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]N[6a])(C[5,5,6]C[5,5]C[5,6]C)(N[6a]C[6a]){1|C<3>,3|C<4>,4|H<1>}	103.9660	0.000	1	103.9660	0.000	1	103.3030	0.199	6	103.3030	0.199	6	106.2900	2.374	153	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6,6]	C[5,5,6,6]	C[5,6,6a]	4:3:3:1:	4:3:3:4:	3:4:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:H-1:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,5a]-3:C[5,6,6]-4:	C[5a,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,5a])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(H)	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,5a]C[5a,6a]C[5,5a])(C[5,6,6]C[5,6,6a]2H)	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a]H)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,5a])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(H){2|C<4>,9|C<3>}	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,5a]C[5a,6a]C[5,5a])(C[5,6,6]C[5,6,6a]2H){10|C<3>,1|N<3>,3|H<1>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a]H)(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	116.3220	0.037	2	116.3220	0.001	2	116.3220	0.001	2	116.3220	0.001	2	117.5099	9.400	14	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6,6]	C[5,5,6,6]	C[5,6,6a]	4:3:3:1:	4:3:3:4:	4:3:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:H-1:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,5a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,5a])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(H)	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,5a]C[5a,6a]C[5,5a])(C[5,6,6]C[5,6,6a]2H)	C[5,6,6a](C[5,6,6]C[5,5,6,6]C[5,6,6a]H)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,5a])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(H){2|C<4>,9|C<3>}	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,5a]C[5a,6a]C[5,5a])(C[5,6,6]C[5,6,6a]2H){10|C<3>,1|N<3>,3|H<1>}	C[5,6,6a](C[5,6,6]C[5,5,6,6]C[5,6,6a]H)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,1|H<1>,8|C<3>}	116.6020	0.197	2	116.6020	0.039	2	116.6020	0.039	2	116.6020	0.039	2	117.5099	9.400	14	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6,6]	C[5,5,6,6]	C[5,6,6a]	4:3:3:1:	4:3:4:3:	3:3:4:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:H-1:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-4:N[5]-3:	C[5,6a,6a]-3:C[5a,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]N[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(H)	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]2H)(N[5]N[5]C)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a]H)	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]N[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(H){1|C<4>,1|N<2>,9|C<3>}	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]2H)(N[5]N[5]C){1|H<1>,9|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a]H){1|C<4>,1|N<3>,7|C<3>}	118.8880	0.000	1	118.8880	0.000	1	118.8880	0.000	1	118.8880	0.000	1	117.5099	9.400	14	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6,6]	C[5,5,6,6]	C[5,6,6a]	4:3:3:1:	4:3:4:3:	3:4:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:H-1:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-4:C[5]-3:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(H)	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]N[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]2H)(C[5]C[6a]N[5])	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a]H)(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(H){1|C<4>,1|N<2>,1|N<3>,8|C<3>}	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]N[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]2H)(C[5]C[6a]N[5]){10|C<3>,1|H<1>,1|N<2>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a]H)(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|C<4>,1|H<1>,8|C<3>}	124.6620	0.000	1	124.6620	0.000	1	124.6620	0.000	1	121.9927	8.502	3	117.5099	9.400	14	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6,6]	C[5,5,6,6]	C[5,6,6a]	4:3:3:1:	4:3:4:3:	3:4:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:H-1:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-4:C[5]-3:	C[5a,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(H)	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]N[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]2H)(C[5]C[6a]N[5])	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a]H)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(H){1|C<4>,1|N<2>,1|N<3>,8|C<3>}	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]N[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]2H)(C[5]C[6a]N[5]){10|C<3>,1|H<1>,1|N<2>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a]H)(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	118.8810	0.000	1	118.8810	0.000	1	118.8810	0.000	1	121.9927	8.502	3	117.5099	9.400	14	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6,6]	C[5,5,6,6]	C[5,6,6a]	4:3:3:1:	4:3:4:3:	3:4:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:H-1:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-4:N[5]-3:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]N[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(H)	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]2H)(N[5]N[5]C)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a]H)(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]N[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(H){1|C<4>,1|N<2>,9|C<3>}	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]2H)(N[5]N[5]C){1|H<1>,9|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a]H)(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|C<4>,1|H<1>,1|N<3>,7|C<3>}	122.4350	0.000	1	122.4350	0.000	1	122.4350	0.000	1	121.9927	8.502	3	117.5099	9.400	14	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6,6]	C[5,5,6,6]	C[5,6,6a]	4:3:3:1:	4:3:4:4:	3:4:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:H-1:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-4:C[5]-4:	C[5a,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(H)	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,5a])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]2H)(C[5]C[5,5a]HH)	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a]H)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(H){1|C<4>,2|H<1>,9|C<3>}	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,5a])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]2H)(C[5]C[5,5a]HH){1|H<1>,1|N<3>,9|C<3>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a]H)(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,7|C<3>}	116.2680	0.000	1	116.2680	0.000	1	116.2680	0.000	1	116.2680	0.000	1	117.5099	9.400	14	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6,6]	C[5,5,6,6]	C[5,6,6a]	4:3:3:1:	4:3:4:4:	4:3:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:H-1:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-4:C[5]-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(H)	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,5a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2H)(C[5]C[5,5a]HH)	C[5,6,6a](C[5,6,6]C[5,5,6,6]C[5,6,6a]H)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(H){1|C<4>,2|H<1>,9|C<3>}	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,5a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2H)(C[5]C[5,5a]HH){1|H<1>,1|N<3>,9|C<3>}	C[5,6,6a](C[5,6,6]C[5,5,6,6]C[5,6,6a]H)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|H<1>,2|C<4>,7|C<3>}	116.9160	0.000	1	116.9160	0.000	1	117.0740	1.144	3	117.0740	1.144	3	117.5099	9.400	14	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6,6]	C[5,5,6,6]	C[5,6,6a]	4:3:3:1:	4:3:4:4:	4:3:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:H-1:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-4:C[5]-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(H)	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,5a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2H)(C[5]C[5,5a]HH)	C[5,6,6a](C[5,6,6]C[5,5,6,6]C[5,6,6a]H)(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(H){1|C<4>,2|H<1>,9|C<3>}	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,5a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2H)(C[5]C[5,5a]HH){1|H<1>,1|N<3>,9|C<3>}	C[5,6,6a](C[5,6,6]C[5,5,6,6]C[5,6,6a]H)(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,7|C<3>}	116.0920	0.000	1	116.0920	0.000	1	117.0740	1.144	3	117.0740	1.144	3	117.5099	9.400	14	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6,6]	C[5,5,6,6]	C[5,6,6a]	4:3:3:1:	4:3:4:4:	4:3:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:H-1:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-4:C[5]-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(H)	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,5a])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]2H)(C[5]C[5,5a]HH)	C[5,6,6a](C[5,6,6]C[5,5,6,6]C[5,6,6a]H)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(H){1|C<4>,2|H<1>,9|C<3>}	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,5a])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]2H)(C[5]C[5,5a]HH){1|H<1>,1|N<3>,9|C<3>}	C[5,6,6a](C[5,6,6]C[5,5,6,6]C[5,6,6a]H)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|H<1>,2|C<4>,7|C<3>}	118.2140	0.000	1	118.2140	0.000	1	117.0740	1.144	3	117.0740	1.144	3	117.5099	9.400	14	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6,6]	C[5,5,6,6]	C[5,6,6a]	4:3:3:4:	4:3:4:3:	3:4:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C-4:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-4:N[5]-3:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]N[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(CC[6a]2H)	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C)(N[5]C[5,6a]C)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]N[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(CC[6a]2H){11|C<3>}	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C)(N[5]C[5,6a]C){10|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){1|C<4>,1|N<3>,7|C<3>}	112.6280	0.000	1	112.6280	0.000	1	112.6280	0.000	1	112.6280	0.000	1	117.5099	9.400	14	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6,6]	C[5,5,6,6]	C[5,6,6a]	4:3:3:4:	4:3:4:3:	4:3:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C-4:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-4:N[5]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]N[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(CC[6a]2H)	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C)(N[5]C[5,6a]C)	C[5,6,6a](C[5,6,6]C[5,5,6,6]C[5,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]N[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(CC[6a]2H){11|C<3>}	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C)(N[5]C[5,6a]C){10|C<3>}	C[5,6,6a](C[5,6,6]C[5,5,6,6]C[5,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,1|N<3>,7|C<3>}	114.3060	0.000	1	114.3060	0.000	1	114.3060	0.000	1	114.3060	0.000	1	117.5099	9.400	14	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:3:4:1:	3:3:4:4:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]2C)(H)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]2H)(CC[6a]HH)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]H)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]2C)(H){8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]2H)(CC[6a]HH){8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]H){1|C<4>,8|C<3>}	115.7430	0.000	1	115.7430	0.000	1	115.7430	0.000	1	115.5297	0.170	8	112.9652	6.671	94	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:3:4:1:	3:3:4:4:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C-4:	C[5,6a,6a]-3:C[5a,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2C)(H)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2H)(CSiHH)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]H)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2C)(H){8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2H)(CSiHH){8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]H){1|C<4>,8|C<3>}	115.8420	0.089	2	115.8420	0.008	2	115.8420	0.008	2	115.5297	0.170	8	112.9652	6.671	94	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:3:4:1:	3:3:4:4:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:P-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]2P)(H)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]2H)(PC[6a]2B)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]H)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]2P)(H){8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]2H)(PC[6a]2B){8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]H){1|P<4>,8|C<3>}	115.0635	0.199	2	115.0635	0.039	2	115.0635	0.039	2	115.5297	0.170	8	112.9652	6.671	94	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:3:4:1:	3:3:4:4:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:P-4:	C[5,6a,6a]-3:C[5a,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2P)(H)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2H)(PC[6a]2Fe)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]H)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2P)(H){8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2H)(PC[6a]2Fe){8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]H){1|P<4>,8|C<3>}	115.0750	0.000	1	115.0750	0.000	1	115.5613	0.231	3	115.5297	0.170	8	112.9652	6.671	94	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:3:4:1:	3:3:4:4:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:P-4:	C[5,6a,6a]-3:C[5a,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2P)(H)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2H)(PC[6a]2Os)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]H)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2P)(H){8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2H)(PC[6a]2Os){8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]H){1|P<4>,8|C<3>}	115.8045	0.327	2	115.8045	0.107	2	115.5613	0.231	3	115.5297	0.170	8	112.9652	6.671	94	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:3:4:1:	3:3:4:4:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]2C)(H)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]2H)(CC[6a]HH)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]2C)(H){8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]2H)(CC[6a]HH){8|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	115.1840	0.000	1	115.1840	0.000	1	115.1840	0.000	1	115.4845	0.181	2	112.9652	6.671	94	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:3:4:1:	3:3:4:4:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:P-4:	C[5a,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2P)(H)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2H)(PC[6a]2Fe)	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2P)(H){8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2H)(PC[6a]2Fe){8|C<3>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[5,6a,6a]C[5,6a,6a]2){1|P<4>,8|C<3>}	115.7850	0.000	1	115.7850	0.000	1	115.7850	0.000	1	115.4845	0.181	2	112.9652	6.671	94	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:3:4:1:	4:3:3:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:Cl-1:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:Cl-1:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl)(Cl)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2)2(Cl)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl)(Cl){3|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2)2(Cl){2|Cl<1>,2|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl){2|Cl<1>,8|C<3>}	114.0240	0.000	1	114.0240	0.000	1	114.0240	0.000	1	114.0240	0.000	1	112.9652	6.671	94	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:3:4:1:	4:3:3:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:Cl-1:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:Cl-1:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Cl)(Cl)	C[5,6,6](C[5,6,6]C[5,6,6a]2Cl)(C[5,6,6]C[5,6,6]2)2(Cl)	C[5,6,6a](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[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Cl)(Cl){2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2Cl)(C[5,6,6]C[5,6,6]2)2(Cl){2|Cl<1>,2|C<4>,6|C<3>}	C[5,6,6a](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[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,1|C<4>,7|C<3>}	111.0370	0.000	1	112.7965	6.192	2	112.7965	6.192	2	112.7965	6.192	2	112.9652	6.671	94	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:3:4:1:	4:3:3:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:Cl-1:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:Cl-1:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Cl)(Cl)	C[5,6,6](C[5,6,6]C[5,6,6a]2Cl)(C[5,6,6]C[5,6,6]2)2(Cl)	C[5,6,6a](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[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Cl)(Cl){2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2Cl)(C[5,6,6]C[5,6,6]2)2(Cl){2|Cl<1>,2|C<4>,6|C<3>}	C[5,6,6a](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[5,6a,6a]C[5,6a,6a]2){2|Cl<1>,8|C<3>}	114.5560	0.000	1	112.7965	6.192	2	112.7965	6.192	2	112.7965	6.192	2	112.9652	6.671	94	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:3:4:1:	4:3:3:4:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:P-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6]P)(H)	C[5,6,6](C[5,6,6]C[5,6,6a]2H)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(PC[6a]2Os)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]H)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6]P)(H){1|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2H)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(PC[6a]2Os){1|Os<5>,1|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]H){1|P<4>,8|C<3>}	116.9350	0.000	1	116.9350	0.000	1	116.8915	0.004	2	116.8915	0.004	2	112.9652	6.671	94	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:3:4:1:	4:3:3:4:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:P-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6]P)(H)	C[5,6,6](C[5,6,6]C[5,6,6a]2H)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(PC[6a]2Os)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]H)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6]P)(H){1|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2H)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(PC[6a]2Os){1|Os<5>,1|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]H){1|P<4>,8|C<3>}	116.8480	0.000	1	116.8480	0.000	1	116.8915	0.004	2	116.8915	0.004	2	112.9652	6.671	94	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:3:4:2:	3:3:4:2:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:O-2:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:O-2:	C[5,6a,6a]-3:C[5a,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2O)(OC)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2O)(OSi)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]O)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2O)(OC){8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2O)(OSi){8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]O){1|O<2>,8|C<3>}	114.8420	0.065	4	114.8420	0.004	4	114.0910	0.686	8	114.0910	0.686	8	112.9652	6.671	94	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:3:4:2:	3:3:4:2:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:O-2:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:O-2:	C[5,6a,6a]-3:C[5a,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2O)(OSi)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2O)(OC)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]O)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2O)(OSi){8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2O)(OC){8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]O){1|O<2>,8|C<3>}	113.3400	0.306	4	113.3400	0.094	4	114.0910	0.686	8	114.0910	0.686	8	112.9652	6.671	94	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:3:4:2:	3:3:4:2:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:O-2:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:O-2:	C[5a,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2O)(OC)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2O)(OC)	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]O)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2O)(OC){8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2O)(OC){8|C<3>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]O)(C[5,6a,6a]C[5,6a,6a]2){1|O<2>,8|C<3>}	114.3920	0.274	8	114.3920	0.075	8	114.3920	0.075	8	114.3920	0.075	8	112.9652	6.671	94	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:3:4:2:	3:3:4:4:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:O-2:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C-4:	C[5,6a,6a]-3:C[5a,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2C)(OC)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2O)(CC[6a]HH)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]O)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2C)(OC){8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2O)(CC[6a]HH){8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]O){1|C<4>,8|C<3>}	113.8436	0.397	5	113.8436	0.158	5	113.8436	0.158	5	113.8436	0.158	5	112.9652	6.671	94	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:3:4:2:	3:3:4:4:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:O-2:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C)(OC)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2O)(CC[6a]HH)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]O)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C)(OC){8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2O)(CC[6a]HH){8|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]O)(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	113.8730	0.000	1	113.8730	0.000	1	113.8730	0.000	1	113.5770	0.089	3	112.9652	6.671	94	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:3:4:2:	3:3:4:4:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:O-2:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C-4:	C[5a,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C)(OC)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2O)(CC[6a]HH)	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]O)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C)(OC){8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2O)(CC[6a]HH){8|C<3>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]O)(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	113.5830	0.000	1	113.5830	0.000	1	113.4290	0.047	2	113.5770	0.089	3	112.9652	6.671	94	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:3:4:2:	3:3:4:4:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:O-2:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C-4:	C[5a,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2C)(OC)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2O)(CC[6a]HH)	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]O)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2C)(OC){8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2O)(CC[6a]HH){8|C<3>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]O)(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	113.2750	0.000	1	113.2750	0.000	1	113.4290	0.047	2	113.5770	0.089	3	112.9652	6.671	94	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:3:4:2:	4:3:3:2:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:O-2:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:O-2:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2O)(OO)	C[5,6,6](C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2)2(OO)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]O)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2O)(OO){2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2)2(OO){2|C<4>,2|O<2>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]O){2|O<2>,8|C<3>}	112.9630	0.188	2	112.9630	0.035	2	112.9630	0.035	2	112.9630	0.035	2	112.9652	6.671	94	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:3:4:2:	4:4:3:2:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:O-2:	C[3,5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:O-2:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[3,5,6,6]C[5,6,6]O)(OO)	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6]O[3])(C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2)(OO)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]O)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[3,5,6,6]C[5,6,6]O)(OO){1|O<2>,3|C<4>,5|C<3>}	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6]O[3])(C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2)(OO){2|C<4>,2|O<2>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]O){1|C<4>,2|O<2>,7|C<3>}	112.8175	0.457	2	112.8175	0.209	2	112.8175	0.209	2	112.8175	0.209	2	112.9652	6.671	94	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:3:4:3:	3:3:4:3:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6a,6a]-3:C[5a,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[5,6,6]C[5,6,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[5,6,6]C[5,6,6a]2)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[5,6,6]C[5,6,6a]2){14|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[5,6,6]C[5,6,6a]2){14|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]2){11|C<3>}	112.5530	0.000	1	112.5530	0.000	1	112.5530	0.000	1	111.4837	1.048	3	112.9652	6.671	94	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:3:4:3:	3:3:4:3:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C[5a,6,6]-3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]2C[5a,6,6])(C[5,6,6]C[5,6,6a]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[5,6,6])(C[5a,6,6]C[5a,6,6a]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]2C[5a,6,6])(C[5,6,6]C[5,6,6a]2){14|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[5a,6,6]C[5a,6,6a]2){14|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]2){11|C<3>}	110.9490	0.617	2	110.9490	0.380	2	110.9490	0.380	2	111.4837	1.048	3	112.9652	6.671	94	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:3:4:3:	3:3:4:4:	3:3:4:	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[5,6a,6a]-3:C[5a,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C)(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[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])	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[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C[6a]){10|C<3>,1|C<4>}	112.5770	0.000	1	112.5770	0.000	1	112.5770	0.000	1	112.5770	0.000	1	112.9652	6.671	94	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:3:4:3:	3:3:4:4:	3:4:3:	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[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[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[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	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[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){10|C<3>,1|C<4>}	113.8600	0.000	1	113.8600	0.000	1	113.8600	0.000	1	113.8600	0.000	1	112.9652	6.671	94	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:3:4:4:	3:3:4:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]2H)(CC[6a]HH)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]2C)(H)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]2H)(CC[6a]HH){8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]2C)(H){8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|H<1>,8|C<3>}	113.5110	0.000	1	113.5110	0.000	1	113.5110	0.000	1	113.2086	0.431	7	112.9652	6.671	94	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:3:4:4:	3:3:4:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6a,6a]-3:C[5a,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2H)(CSiHH)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2C)(H)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2H)(CSiHH){8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2C)(H){8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|H<1>,8|C<3>}	113.0660	0.890	2	113.0660	0.791	2	113.0660	0.791	2	113.2086	0.431	7	112.9652	6.671	94	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:3:4:4:	3:3:4:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:P-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]2H)(PC[6a]2B)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]2P)(H)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]P)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]2H)(PC[6a]2B){8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]2P)(H){8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]P){1|H<1>,8|C<3>}	114.3210	0.000	1	114.3210	0.000	1	114.3210	0.000	1	113.2086	0.431	7	112.9652	6.671	94	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:3:4:4:	3:3:4:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:P-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6a,6a]-3:C[5a,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2H)(PC[6a]2Fe)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2P)(H)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]P)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2H)(PC[6a]2Fe){8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2P)(H){8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]P){1|H<1>,8|C<3>}	112.8300	0.000	1	112.8300	0.000	1	112.8320	0.001	3	113.2086	0.431	7	112.9652	6.671	94	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:3:4:4:	3:3:4:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:P-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6a,6a]-3:C[5a,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2H)(PC[6a]2Os)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2P)(H)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]P)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2H)(PC[6a]2Os){8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2P)(H){8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]P){1|H<1>,8|C<3>}	112.8330	0.045	2	112.8330	0.002	2	112.8320	0.001	3	113.2086	0.431	7	112.9652	6.671	94	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:3:4:4:	3:3:4:1:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]2H)(CC[6a]HH)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]2C)(H)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]2H)(CC[6a]HH){8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]2C)(H){8|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|H<1>,8|C<3>}	113.8610	0.000	1	113.8610	0.000	1	113.8610	0.000	1	113.9160	0.002	3	112.9652	6.671	94	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:3:4:4:	3:3:4:1:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:P-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]2H)(PC[6a]2B)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]2P)(H)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]P)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]2H)(PC[6a]2B){8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]2P)(H){8|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]P)(C[5,6a,6a]C[5,6a,6a]2){1|H<1>,8|C<3>}	113.9350	0.000	1	113.9350	0.000	1	113.9350	0.000	1	113.9160	0.002	3	112.9652	6.671	94	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:3:4:4:	3:3:4:1:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:P-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:H-1:	C[5a,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2H)(PC[6a]2Fe)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2P)(H)	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]P)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2H)(PC[6a]2Fe){8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2P)(H){8|C<3>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]P)(C[5,6a,6a]C[5,6a,6a]2){1|H<1>,8|C<3>}	113.9520	0.000	1	113.9520	0.000	1	113.9520	0.000	1	113.9160	0.002	3	112.9652	6.671	94	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:3:4:4:	3:3:4:2:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:O-2:	C[5,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2O)(CC[6a]HH)	C[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)(OC)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2O)(CC[6a]HH){8|C<3>}	C[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)(OC){8|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|O<2>,8|C<3>}	114.3110	0.000	1	114.3110	0.000	1	114.3110	0.000	1	113.8505	0.221	8	112.9652	6.671	94	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:3:4:4:	3:3:4:2:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:O-2:	C[5a,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2O)(CC[6a]HH)	C[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)(OC)	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2O)(CC[6a]HH){8|C<3>}	C[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)(OC){8|C<3>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|O<2>,8|C<3>}	114.1960	0.000	1	114.1960	0.000	1	113.7847	0.218	7	113.8505	0.221	8	112.9652	6.671	94	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:3:4:4:	3:3:4:2:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:O-2:	C[5a,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2O)(CC[6a]HH)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2C)(OC)	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2O)(CC[6a]HH){8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2C)(OC){8|C<3>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|O<2>,8|C<3>}	113.7162	0.471	6	113.7162	0.222	6	113.7847	0.218	7	113.8505	0.221	8	112.9652	6.671	94	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:3:4:4:	3:3:4:3:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C[6a]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C[6a])(CSiHH)	C[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[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C[6a])(CSiHH){10|C<3>}	C[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[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){9|C<3>}	111.4600	0.000	1	111.4600	0.000	1	111.4600	0.000	1	113.3875	7.431	2	112.9652	6.671	94	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:3:4:4:	3:3:4:3:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C[6a]-3:	C[5,6a,6a]-3:C[5a,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C[6a])(CSiHH)	C[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[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C[6a])(CSiHH){10|C<3>}	C[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[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){9|C<3>}	115.3150	0.000	1	115.3150	0.000	1	115.3150	0.000	1	113.3875	7.431	2	112.9652	6.671	94	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:3:4:4:	3:3:4:4:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C-4:	C[5,6a,6a]-3:C[5a,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2C)(CCHH)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2C)(CCHH)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2C)(CCHH){8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2C)(CCHH){8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|C<4>,8|C<3>}	113.1033	0.220	3	113.1033	0.048	3	113.1033	0.048	3	113.1033	0.048	3	112.9652	6.671	94	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:3:4:4:	4:3:3:1:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C-4:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:H-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2H)(CSiHH)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2(H)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2H)(CSiHH){2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2(H){4|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,1|H<1>,8|C<3>}	107.5305	0.535	2	107.5305	0.287	2	107.5305	0.287	2	107.5305	0.287	2	112.9652	6.671	94	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:4:3:1:	4:3:3:4:	3:3:4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:H-1:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6a]-3:P-4:	C[5a,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]P)(C[5,6,6]C[5,6,6]2)(H)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[5,6,6]C[5a,6,6]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(PC[6a]2Os)	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2H)	C[5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]P)(C[5,6,6]C[5,6,6]2)(H){1|H<1>,2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[5,6,6]C[5a,6,6]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(PC[6a]2Os){1|Os<5>,2|C<4>,6|C<3>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2H){1|P<4>,2|C<4>,6|C<3>}	117.3880	0.000	1	117.3880	0.000	1	117.3880	0.000	1	117.3880	0.000	1	112.9652	6.671	94	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:4:4:1:	3:4:4:1:	3:3:4:	C[5,6,6a]-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[5,6,6a]-3:C[6,6a,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(Cl)	C[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[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6a,6a]C[6,6a,6a]2)(C[5,6,6]C[5,6,6]2Cl)	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[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[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6a,6a]C[6,6a,6a]2)(C[5,6,6]C[5,6,6]2Cl){3|Cl<1>,2|C<4>,6|C<3>}	113.7740	0.000	1	113.7740	0.000	1	112.5680	2.909	2	112.6137	1.476	4	112.9652	6.671	94	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:4:4:1:	3:4:4:1:	3:3:4:	C[5,6,6a]-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[5,6,6a]-3:C[6,6a,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(Cl)	C[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[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6a,6a]C[6,6a,6a]2)(C[5,6,6]C[5,6,6]2Cl)	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[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[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[6,6a,6a]C[6,6a,6a]2)(C[5,6,6]C[5,6,6]2Cl){3|Cl<1>,3|C<4>,5|C<3>}	111.3620	0.000	1	111.3620	0.000	1	112.5680	2.909	2	112.6137	1.476	4	112.9652	6.671	94	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:4:4:1:	3:4:4:1:	3:3:4:	C[5,6,6a]-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[5,5,6a]-3:C[5,6,6]-4:	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[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[5,6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[5,5,6a]C[5,6,6a]C[5,5,6])(C[5,6,6]C[5,6,6]2Cl)	C[5,6,6](C[5,6,6a]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[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[5,6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[5,5,6a]C[5,6,6a]C[5,5,6])(C[5,6,6]C[5,6,6]2Cl){3|Cl<1>,3|C<4>,5|C<3>}	111.7900	0.000	1	111.7900	0.000	1	111.7900	0.000	1	112.6137	1.476	4	112.9652	6.671	94	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:4:4:1:	3:4:4:1:	3:3:4:	C[5,6,6a]-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[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(Cl)	C[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[5,6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl)	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[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[5,6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[5,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl){3|Cl<1>,3|C<4>,5|C<3>}	113.5290	0.000	1	113.5290	0.000	1	113.5290	0.000	1	112.6137	1.476	4	112.9652	6.671	94	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:4:4:1:	4:3:4:1:	3:4:3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,5,6]-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[5,6,6a]-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[5,5,6]C[5,5,6]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[5,6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,5,6]C[5,6,6]Cl)(C[5,6,6a]C[6,6,6a]C[5,5,6])	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[5,5,6]C[5,5,6]C[5,6,6]Cl)(Cl){2|Cl<1>,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[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[5,6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,5,6]C[5,6,6]Cl)(C[5,6,6a]C[6,6,6a]C[5,5,6]){3|Cl<1>,3|C<4>,5|C<3>}	110.2680	0.000	1	110.2680	0.000	1	110.2680	0.000	1	110.2680	0.000	1	112.9652	6.671	94	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:4:4:1:	4:4:3:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-4:Cl-1:	C[5,5,6]-4:C[5,6,6]-4:C[5,6,6]-3:Cl-1:	C[5,5,6a]-3:C[6,6a,6a]-3:C[5,6,6]-4:	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[5,6,6](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[6,6,6a]C[5,6,6])(Cl)	C[5,6,6a](C[5,5,6a]C[5,6,6a]C[5,5,6])(C[6,6a,6a]C[5,6,6a]C[3x6a])(C[5,6,6]C[5,6,6]2Cl)	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[5,6,6](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[6,6,6a]C[5,6,6])(Cl){2|Cl<1>,2|C<4>,6|C<3>}	C[5,6,6a](C[5,5,6a]C[5,6,6a]C[5,5,6])(C[6,6a,6a]C[5,6,6a]C[3x6a])(C[5,6,6]C[5,6,6]2Cl){3|Cl<1>,3|C<4>,5|C<3>}	112.1640	0.000	1	112.1640	0.000	1	112.1640	0.000	1	112.1640	0.000	1	112.9652	6.671	94	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:4:4:1:	4:4:3:1:	3:4:3:	C[5,6,6a]-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[5,6,6a]-3:C[5,6,6]-4:C[6,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[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[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,5,6])(C[5,6,6]C[5,5,6]C[5,6,6]Cl)(C[6,6a,6a]C[6,6,6a]C[3x6a])	C[5,6,6](C[5,6,6a]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){2|Cl<1>,3|C<4>,5|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[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,5,6])(C[5,6,6]C[5,5,6]C[5,6,6]Cl)(C[6,6a,6a]C[6,6,6a]C[3x6a]){3|Cl<1>,2|C<4>,6|C<3>}	111.9260	0.000	1	111.9260	0.000	1	111.9260	0.000	1	110.3680	4.855	2	112.9652	6.671	94	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	3:4:4:1:	4:4:3:1:	3:4:3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,5,6]-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[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,5,6]C[5,5,6]C[5,6,6]Cl)(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[5,6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,5,6]C[5,6,6]Cl)(C[5,6,6a]C[6,6,6a]C[5,5,6])	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[5,5,6]C[5,5,6]C[5,6,6]Cl)(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[5,6,6]Cl)(C[5,6,6a]C[5,6,6a]C[6,6,6a])(Cl){2|Cl<1>,3|C<4>,5|C<3>}	C[5,6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,5,6]C[5,6,6]Cl)(C[5,6,6a]C[6,6,6a]C[5,5,6]){3|Cl<1>,3|C<4>,5|C<3>}	108.8100	0.000	1	108.8100	0.000	1	108.8100	0.000	1	110.3680	4.855	2	112.9652	6.671	94	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	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[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[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[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6a,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[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[6,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|Cl<1>,1|C<4>,8|C<3>}	103.5630	0.000	1	103.5630	0.000	1	103.5630	0.000	1	103.5630	0.000	1	112.9652	6.671	94	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	4:3:3:4:	3:3:4:1:	3:3:4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:P-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6,6a]2H)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(PC[6a]2Os)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6]P)(H)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2P)	C[5,6,6](C[5,6,6]C[5,6,6a]2H)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(PC[6a]2Os){1|Os<5>,1|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6]P)(H){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2P){1|Os<5>,1|C<4>,1|H<1>,7|C<3>}	114.1480	0.000	1	114.1480	0.000	1	114.1480	0.000	1	114.1480	0.000	1	112.9652	6.671	94	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	4:3:3:4:	3:4:3:1:	3:3:4:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6a]-3:P-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[5,6,6]C[5a,6,6]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(PC[6a]2Os)	C[5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]P)(C[5,6,6]C[5,6,6]2)(H)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2P)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[5,6,6]C[5a,6,6]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(PC[6a]2Os){1|Os<5>,2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]P)(C[5,6,6]C[5,6,6]2)(H){1|H<1>,2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2P){1|Os<5>,1|C<4>,2|H<1>,7|C<3>}	110.8780	0.000	1	110.8780	0.000	1	110.8780	0.000	1	110.8780	0.000	1	112.9652	6.671	94	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	4:3:4:1:	3:4:4:1:	3:3:4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-4:Cl-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5,5,6]-4:Cl-1:	C[5,6a,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[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[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[5,5,6]C[5,5,6]C[5,6,6]Cl)(Cl)	C[5,6,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6,6a]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[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[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[5,5,6]C[5,5,6]C[5,6,6]Cl)(Cl){2|Cl<1>,1|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl){2|Cl<1>,2|C<4>,6|C<3>}	112.5560	0.000	1	112.5560	0.000	1	112.5560	0.000	1	112.5560	0.000	1	112.9652	6.671	94	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	4:3:4:1:	4:3:4:1:	4:3:3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6]H)(C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5]C[6]C)(H)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6]H)(C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5]C[6]C)(H)	C[5,6,6a](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6]H)(C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5]C[6]C)(H){1|C<2>,1|C<4>,1|O<1>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6]H)(C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5]C[6]C)(H){1|C<2>,1|C<4>,1|O<1>,6|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6]){1|C<2>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	109.4050	0.092	2	107.4338	3.065	6	107.4338	3.065	6	107.4338	3.065	6	112.9652	6.671	94	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	4:3:4:1:	4:3:4:1:	4:3:3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6]H)(C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5]C[6]C)(H)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6]H)(C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5]C[6]C)(H)	C[5,6,6a](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6]H)(C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5]C[6]C)(H){1|C<2>,1|O<1>,1|O<2>,2|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6]H)(C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5]C[6]C)(H){1|C<2>,1|O<1>,1|O<2>,2|C<4>,5|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6]){1|C<2>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	105.4930	0.040	2	107.4338	3.065	6	107.4338	3.065	6	107.4338	3.065	6	112.9652	6.671	94	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	4:3:4:1:	4:3:4:1:	4:3:3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6]H)(C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5]C[6]C)(H)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6]H)(C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5]C[6]C)(H)	C[5,6,6a](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6]H)(C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5]C[6]C)(H){1|C<4>,2|O<1>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6]H)(C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5]C[6]C)(H){1|C<4>,2|O<1>,6|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6]){2|C<4>,2|O<1>,3|C<3>,3|H<1>}	107.4035	0.084	2	107.4338	3.065	6	107.4338	3.065	6	107.4338	3.065	6	112.9652	6.671	94	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	4:4:3:1:	3:4:4:1:	3:3:4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6a]-3:Cl-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5,5,6]-4:Cl-1:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,5,6]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[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[5,5,6]C[5,5,6]C[5,6,6]Cl)(Cl)	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl)	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[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[5,5,6]C[5,5,6]C[5,6,6]Cl)(Cl){3|Cl<1>,2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl){4|Cl<1>,3|C<4>,5|C<3>}	107.2820	0.000	1	107.2820	0.000	1	107.2820	0.000	1	107.2820	0.000	1	112.9652	6.671	94	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5,6,6a]	4:4:3:1:	4:4:3:1:	3:3:4:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6a]-3:Cl-1:	C[5,5,6]-4:C[5,6,6]-4:C[5,6,6]-3:Cl-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[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[5,6,6](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2)(Cl)	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl)	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[5,6,6](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2)(Cl){3|Cl<1>,3|C<4>,5|C<3>}	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl){4|Cl<1>,4|C<3>,4|C<4>}	109.6580	0.000	1	109.6580	0.000	1	109.6580	0.000	1	109.6580	0.000	1	112.9652	6.671	94	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5a,6]	3:4:3:1:	4:4:4:4:	4:3:3:	C[5a,6]-3:C[5,6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C[6]-4:	C[5,6,6]-4:C[5a,6a]-3:C[5a,6]-3:	C[5,6,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6,6]C[5]C[6]2)(N[5,6]C[5]C[6])(H)	C[5,6,6](C[5,6,6]C[5a,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)2	C[5a,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])	C[5,6,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6,6]C[5]C[6]2)(N[5,6]C[5]C[6])(H){10|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6,6](C[5,6,6]C[5a,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)2{1|C<4>,2|C<3>,6|H<1>}	C[5a,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6]){2|C<3>,4|H<1>,5|C<4>}	111.1510	0.000	1	111.1510	0.000	1	111.1510	0.000	1	111.1510	0.000	1	112.6210	2.035	3	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5a,6]	4:4:3:1:	4:4:4:1:	4:3:3:	C[5,6,6]-4:C[5,5,6]-4:C[5a,6]-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[5a,6]-3:C[5a]-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]H)(C[5a,6]C[5a,6]C[5a])(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[5a,6]H)(C[5,5,6]C[5,5]C[5,6]H)(H)	C[5a,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5a,6]C[5,6,6]N[5a])(C[5a]N[5a]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]H)(C[5a,6]C[5a,6]C[5a])(H){1|C<3>,1|N<2>,1|N<3>,2|C<4>,6|H<1>}	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[5a,6]H)(C[5,5,6]C[5,5]C[5,6]H)(H){2|C<4>,4|C<3>,6|H<1>}	C[5a,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5a,6]C[5,6,6]N[5a])(C[5a]N[5a]H){1|C<3>,3|H<1>,5|C<4>}	114.0000	0.000	1	114.0000	0.000	1	114.0000	0.000	1	113.3560	0.829	2	112.6210	2.035	3	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	C[5a,6]	4:4:3:1:	4:4:4:1:	4:3:3:	C[5,6,6]-4:C[5,5,6]-4:C[5a,6]-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[5a,6]-3:N[5a]-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]H)(C[5a,6]C[5a,6]N[5a])(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[5a,6]H)(C[5,5,6]C[5,5]C[5,6]H)(H)	C[5a,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5a,6]C[5,6,6]C[5a])(N[5a]N[5a]C)	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]H)(C[5a,6]C[5a,6]N[5a])(H){1|N<2>,2|C<3>,3|C<4>,5|H<1>}	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[5a,6]H)(C[5,5,6]C[5,5]C[5,6]H)(H){1|N<3>,2|C<4>,3|C<3>,6|H<1>}	C[5a,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5a,6]C[5,6,6]C[5a])(N[5a]N[5a]C){1|C<3>,4|C<4>,4|H<1>}	112.7120	0.000	1	112.7120	0.000	1	112.7120	0.000	1	113.3560	0.829	2	112.6210	2.035	3	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6]	C[5,6,6]	C[5a,6]	4:3:2:1:	4:4:4:1:	4:3:2:	C[5,6,6]-4:C[5a,6]-3:O[5]-2:H-1:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:C[5a,6]-3:O[5a]-2:	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[5a,6]C[5a,6]O[5a])(O[5]C[5])(H)	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5a,6]O[5]H)(C[6,6]C[6]2H)(H)	C[5a,6](C[5,6]C[5,6,6]O[5]H)(C[5a,6]C[5a]C[6])(O[5a]C[5a])	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[5a,6]C[5a,6]O[5a])(O[5]C[5])(H){2|C<3>,3|H<1>,4|C<4>}	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5a,6]O[5]H)(C[6,6]C[6]2H)(H){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	C[5a,6](C[5,6]C[5,6,6]O[5]H)(C[5a,6]C[5a]C[6])(O[5a]C[5a]){4|C<4>,4|H<1>}	109.7977	0.589	3	109.7977	0.347	3	109.7977	0.347	3	109.7977	0.347	3	109.0705	2.346	4	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6]	C[5,6,6]	C[5a,6]	4:3:3:1:	4:4:4:1:	4:3:3:	C[5,6,6]-4:C[5a,6]-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[5a,6]-3:C[5a]-3:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5a,6]C[5a,6]C[5a])(C[5]O[5]O)(H)	C[5,6,6](C[5,6]C[5a,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(H)	C[5a,6](C[5,6]C[5,6,6]C[5]H)(C[5a,6]O[5a]C[6])(C[5a]C[5a]H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5a,6]C[5a,6]C[5a])(C[5]O[5]O)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6]C[5a,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5a,6](C[5,6]C[5,6,6]C[5]H)(C[5a,6]O[5a]C[6])(C[5a]C[5a]H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	106.8890	0.000	1	106.8890	0.000	1	106.8890	0.000	1	106.8890	0.000	1	109.0705	2.346	4	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6,6a]	3:3:4:3:	4:3:3:2:	3:4:3:	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[5,6,6a]-3:C[5,6]-4:C[5,6a,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[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6]C[5,6a]C[5,6]C[6a])(C[5,6a,6a]C[5,6a,6a]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[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6]C[5,6a]C[5,6]C[6a])(C[5,6a,6a]C[5,6a,6a]2){10|C<3>,2|O<2>}	110.2720	0.000	1	110.2720	0.000	1	110.2720	0.000	1	110.2720	0.000	1	107.2664	8.153	7	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6,6a]	3:4:3:1:	4:4:3:3:	3:4:3:	C[5,6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:C[5]-3:	C[6,6a]-3:C[5,6]-4:C[5,6a]-3:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5,6]C[5]2)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5,6,6a]C[5]H)(C[5,6]N[5,6]C[5]H)(C[5]C[5,6a]O)2	C[5,6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]C[5]H)(C[5,6a]C[6a]N[5])	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5,6]C[5]2)(C[5]N[5]O)(H){1|H<1>,1|N<3>,2|C<4>,2|O<1>,4|C<3>}	C[5,6](C[5,6]C[5,6,6a]C[5]H)(C[5,6]N[5,6]C[5]H)(C[5]C[5,6a]O)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5,6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]C[5]H)(C[5,6a]C[6a]N[5]){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	109.2220	0.853	2	109.2220	0.727	2	109.2220	0.727	2	109.2220	0.727	2	107.2664	8.153	7	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6,6a]	3:4:3:2:	4:4:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6]-4:C[5]-3:O-2:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C-3:	C[5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5,5]C[5,6]C)(C[5]N[5]O)(OSi)	C[5,6](C[5,6]C[5,6,6a]C[5]O)(C[5,5]N[5,5]C[5]O)(C[5,6]C[5]C[6]H)(COO)	C[5,6,6a](C[5,6]C[5,6]C[5]O)(C[5,6a]C[6a]N[5])(C[6,6a]C[6a]C[6])	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5,5]C[5,6]C)(C[5]N[5]O)(OSi){1|H<1>,1|N<3>,1|O<2>,3|C<3>,3|C<4>}	C[5,6](C[5,6]C[5,6,6a]C[5]O)(C[5,5]N[5,5]C[5]O)(C[5,6]C[5]C[6]H)(COO){1|N<3>,2|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[5,6,6a](C[5,6]C[5,6]C[5]O)(C[5,6a]C[6a]N[5])(C[6,6a]C[6a]C[6]){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	105.2490	1.861	2	104.5057	3.389	3	104.5057	3.389	3	104.5057	3.389	3	107.2664	8.153	7	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6,6a]	3:4:3:2:	4:4:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6]-4:C[5]-3:O-2:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C-3:	C[5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5,5]C[5,6]C)(C[5]N[5]O)(OSi)	C[5,6](C[5,6]C[5,6,6a]C[5]O)(C[5,5]N[5,5]C[5]O)(C[5,6]C[5]C[6]H)(COO)	C[5,6,6a](C[5,6]C[5,6]C[5]O)(C[5,6a]C[6a]N[5])(C[6,6a]C[6a]C[6])	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5,5]C[5,6]C)(C[5]N[5]O)(OSi){1|H<1>,1|N<3>,1|O<2>,3|C<3>,3|C<4>}	C[5,6](C[5,6]C[5,6,6a]C[5]O)(C[5,5]N[5,5]C[5]O)(C[5,6]C[5]C[6]H)(COO){1|N<3>,2|H<1>,2|O<1>,3|C<3>,3|C<4>}	C[5,6,6a](C[5,6]C[5,6]C[5]O)(C[5,6a]C[6a]N[5])(C[6,6a]C[6a]C[6]){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	103.0190	0.000	1	104.5057	3.389	3	104.5057	3.389	3	104.5057	3.389	3	107.2664	8.153	7	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5,6,6a]	3:4:4:2:	4:4:3:1:	3:4:3:	C[5,6,6a]-3:C[5,6]-4:C[5]-4:O-2:	C[5,6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5,6a]-3:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5,6,6]C[5]H)(C[5]C[5]HH)(OH)	C[5,6](C[5,6,6]N[6,6]C[6]O[5])(C[5,6]C[5,6,6a]C[5]O)(C[5]C[5]H)(H)	C[5,6,6a](C[6,6a]N[6,6]C[6a])(C[5,6]C[5,6]C[5]O)(C[5,6a]C[6a]C[5])	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5,6,6]C[5]H)(C[5]C[5]HH)(OH){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[5,6](C[5,6,6]N[6,6]C[6]O[5])(C[5,6]C[5,6,6a]C[5]O)(C[5]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,6,6a](C[6,6a]N[6,6]C[6a])(C[5,6]C[5,6]C[5]O)(C[5,6a]C[6a]C[5]){1|C<4>,3|C<3>,7|H<1>}	108.6320	0.000	1	108.6320	0.000	1	108.6320	0.000	1	108.6320	0.000	1	107.2664	8.153	7	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5a,6]	3:3:4:3:	4:4:3:1:	4:3:2:	C[5,6a]-3:C[5a,6]-3:C[5,6]-4:C[5]-3:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5a,6]-3:O[5a]-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]O[5a])(C[5,6]C[5,6]C[5]H)(C[5]N[5]O)	C[5,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[5,6]C[5,6]HH)(C[5]C[5]H)(H)	C[5a,6](C[5,6]C[5,6a]C[5,6]C[5])(C[5a,6]C[5,6]C[5a])(O[5a]C[5a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]O[5a])(C[5,6]C[5,6]C[5]H)(C[5]N[5]O){2|C<4>,4|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[5,6]C[5,6]HH)(C[5]C[5]H)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5a,6](C[5,6]C[5,6a]C[5,6]C[5])(C[5a,6]C[5,6]C[5a])(O[5a]C[5a]){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	106.4890	0.000	1	106.4890	0.000	1	106.4890	0.000	1	106.4890	0.000	1	110.5601	4.959	56	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5a,6]	3:3:4:4:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5a,6]-3:C[5,6]-4:C-4:	C[5,6]-4:C[5a,6]-3:N[5]-3:H-1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5,6]C[5a,6]N[5]H)(CH3)	C[5,6](C[5,6]C[5,6a]C[5a,6]C)(C[5a,6]C[5a,6]N[5a])(N[5]C[5,6a]C)(H)	C[5a,6](C[5,6]C[5,6a]C[5,6]C)(C[5a,6]C[5a,6]C[5a])(C[5a]N[5a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5,6]C[5a,6]N[5]H)(CH3){1|C<4>,2|H<1>,2|N<3>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[5a,6]C)(C[5a,6]C[5a,6]N[5a])(N[5]C[5,6a]C)(H){1|H<1>,6|C<3>}	C[5a,6](C[5,6]C[5,6a]C[5,6]C)(C[5a,6]C[5a,6]C[5a])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	109.2500	0.000	1	109.2500	0.000	1	109.2500	0.000	1	109.2500	0.000	1	110.5601	4.959	56	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5a,6]	3:4:2:1:	4:4:2:1:	3:4:3:	C[5a,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5a,6]-3:C[5,6]-4:N[5a,6]-3:	C[5,6](C[5a,6]C[5a,6]N[5a,6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5a,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5,6]C[5,6]O[5]H)(N[5a,6]C[5a]C[6])	C[5,6](C[5a,6]C[5a,6]N[5a,6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,6](C[5,6]C[5a,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5,6]C[5,6]O[5]H)(N[5a,6]C[5a]C[6]){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	114.0250	0.000	1	114.0250	0.000	1	114.0250	0.000	1	114.0250	0.000	1	110.5601	4.959	56	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5a,6]	3:4:2:1:	4:4:2:1:	4:3:2:	C[5a,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[5,5]-4:O[6]-2:H-1:	C[5,6]-4:C[5a,6]-3:N[5a]-2:	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)	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[5a,6](C[5,6]C[5,6]O[5]H)(C[5a,6]C[5a]C[6])(N[5a]O[5a])	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>}	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[5a,6](C[5,6]C[5,6]O[5]H)(C[5a,6]C[5a]C[6])(N[5a]O[5a]){1|O<2>,2|C<4>,4|H<1>}	109.9360	0.000	1	109.9360	0.000	1	109.9360	0.000	1	109.9360	0.000	1	110.5601	4.959	56	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5a,6]	3:4:2:1:	4:4:2:1:	4:3:3:	C[5a,6]-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:N[5a,6]-3:C[5a]-3:	C[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[5,6](C[5,6]C[5a,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H)	C[5a,6](C[5,6]C[5,6]O[5]H)(N[5a,6]N[5a]C[6])(C[5a]N[5a]C)	C[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,2|N<2>,3|C<4>}	C[5,6](C[5,6]C[5a,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5a,6](C[5,6]C[5,6]O[5]H)(N[5a,6]N[5a]C[6])(C[5a]N[5a]C){1|O<2>,2|C<4>,3|H<1>}	112.1190	0.000	1	112.1190	0.000	1	112.1190	0.000	1	112.1190	0.000	1	110.5601	4.959	56	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5a,6]	3:4:2:1:	4:4:2:4:	4:3:3:	C[5a,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]C)(O[5]C[5])(H)	C[5,6](C[5,6]C[5a,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(CH3)	C[5a,6](C[5,6]C[5,6]O[5]H)(C[5a,6]C[5a]C[6])(C[5a]O[5a]H)	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]C)(O[5]C[5])(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[5a,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(CH3){2|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5,6]C[5,6]O[5]H)(C[5a,6]C[5a]C[6])(C[5a]O[5a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	112.4300	0.000	2	112.4300	0.000	2	112.4300	0.000	2	112.4300	0.000	2	110.5601	4.959	56	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5a,6]	3:4:2:2:	3:4:2:2:	3:4:2:	C[5a,6]-3:C[5,6]-4:O[5]-2:O[5]-2:	C[5a,6]-3:C[5,6]-4:O[5]-2:O[5]-2:	C[5a,6]-3:C[5,6]-4:N[5a]-2:	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5a,6]O[5]2)(O[5]C[5])2	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5a,6]O[5]2)(O[5]C[5])2	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5,6]C[5,6]O[5]2)(N[5a]C[5a])	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5a,6]O[5]2)(O[5]C[5])2{1|N<2>,1|S<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5a,6]O[5]2)(O[5]C[5])2{1|N<2>,1|S<2>,2|C<3>,2|C<4>,4|H<1>}	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5,6]C[5,6]O[5]2)(N[5a]C[5a]){1|S<2>,2|C<3>,2|C<4>,2|O<2>}	111.0300	0.762	8	111.0300	0.580	8	111.0300	0.580	8	111.0300	0.580	8	110.5601	4.959	56	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5a,6]	3:4:2:2:	3:4:2:2:	3:4:3:	C[5a,6]-3:C[5,6]-4:O[5]-2:O[5]-2:	C[5a,6]-3:C[5,6]-4:O[5]-2:O[5]-2:	C[5a,6]-3:C[5,6]-4:C[5a]-3:	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5a,6]O[5]2)(O[5]C[5])2	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5a,6]O[5]2)(O[5]C[5])2	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5,6]C[5,6]O[5]2)(C[5a]C[5a]H)	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5a,6]O[5]2)(O[5]C[5])2{1|S<2>,2|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5a,6]O[5]2)(O[5]C[5])2{1|S<2>,2|C<4>,3|C<3>,5|H<1>}	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5,6]C[5,6]O[5]2)(C[5a]C[5a]H){1|Br<1>,1|C<3>,1|S<2>,2|C<4>,2|O<2>}	110.8875	0.260	2	110.8875	0.067	2	110.8875	0.067	2	110.8875	0.067	2	110.5601	4.959	56	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5a,6]	3:4:2:3:	4:4:3:1:	3:4:3:	C[5a,6]-3:C[5,6]-4:O[5]-2:C-3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5a,6a]-3:C[5,6]-4:C[5a,6]-3:	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]C[6]H)(O[5]C[5])(COO)	C[5,6](C[5,6]C[5a,6]O[5]C)(C[6]C[6a]O[6]H)(C[5]C[5]C)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[5,6]O[5]C)(C[5a,6]N[5a]O[6])	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]C[6]H)(O[5]C[5])(COO){1|C<2>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[5,6](C[5,6]C[5a,6]O[5]C)(C[6]C[6a]O[6]H)(C[5]C[5]C)(H){5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[5,6]O[5]C)(C[5a,6]N[5a]O[6]){2|C<4>,2|H<1>,4|C<3>}	111.7540	0.000	1	111.7540	0.000	1	111.7540	0.000	1	111.7540	0.000	1	110.5601	4.959	56	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5a,6]	3:4:2:4:	4:4:3:1:	3:4:3:	C[5a,6]-3:C[5,6]-4:O[5]-2:C-4:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[6a]H)(O[5]C[5])(CH3)	C[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[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]C[5,6]O[5]C)(N[5a]C[5a,6a]H)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[6a]H)(O[5]C[5])(CH3){1|C<4>,4|C<3>,4|H<1>}	C[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[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]C[5,6]O[5]C)(N[5a]C[5a,6a]H){2|C<4>,2|H<1>,4|C<3>}	105.1800	0.000	1	105.1800	0.000	1	105.1800	0.000	1	105.1800	0.000	1	110.5601	4.959	56	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5a,6]	3:4:2:4:	4:4:4:1:	4:3:2:	C[5a,6]-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:N[5a,6]-3:N[5a]-2:	C[5,6](C[5a,6]N[5a,6]N[5a])(C[5,6]C[5]C[6]H)(O[5]C[5])(CH3)	C[5,6](C[5,6]C[5a,6]O[5]C)(C[5]C[5]HH)(C[6]C[6]FF)(H)	C[5a,6](C[5,6]C[5,6]O[5]C)(N[5a,6]C[5a]C[6])(N[5a]C[5a])	C[5,6](C[5a,6]N[5a,6]N[5a])(C[5,6]C[5]C[6]H)(O[5]C[5])(CH3){1|C<4>,1|O<1>,2|C<3>,2|F<1>,2|H<1>}	C[5,6](C[5,6]C[5a,6]O[5]C)(C[5]C[5]HH)(C[6]C[6]FF)(H){1|N<2>,1|N<3>,1|O<1>,2|F<1>}	C[5a,6](C[5,6]C[5,6]O[5]C)(N[5a,6]C[5a]C[6])(N[5a]C[5a]){1|C<3>,2|C<4>,2|F<1>,3|H<1>}	113.4630	0.000	1	113.4630	0.000	1	113.4630	0.000	1	113.4630	0.000	1	110.5601	4.959	56	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5a,6]	3:4:3:1:	3:4:3:4:	3:4:3:	C[5a,6]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6a]-3:C[5,6]-4:N[6]-3:C-4:	N[5a,6]-3:C[5,6]-4:C[5a]-3:	C[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6a]N[6]C)(N[5]C[5,6a]C)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]N[5]H)(N[6]C[6]O)(CH3)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5,6]C[5,6]N[5]H)(C[5a]C[5a,6a]H)	C[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6a]N[6]C)(N[5]C[5,6a]C)(H){1|H<1>,1|O<2>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]N[5]H)(N[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5,6]C[5,6]N[5]H)(C[5a]C[5a,6a]H){1|N<3>,1|O<1>,2|C<4>,4|C<3>}	113.4890	0.000	1	113.4890	0.000	1	113.4890	0.000	1	113.4890	0.000	1	110.5601	4.959	56	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5a,6]	3:4:3:1:	3:4:4:1:	3:4:3:	C[5a,6]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5a,6,6a]-3:C[5,6]-4:C[5a]-3:	C[5,6](C[5a,6]C[5a,6,6a]C[5a])(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[5a,6]N[5]H)(C[6]C[6,6a]CH)(H)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,6]N[5]H)(C[5a]N[5a]H)	C[5,6](C[5a,6]C[5a,6,6a]C[5a])(C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]N[5]H)(C[6]C[6,6a]CH)(H){1|C<4>,6|C<3>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,6]N[5]H)(C[5a]N[5a]H){1|H<1>,3|C<4>,4|C<3>}	112.7300	0.000	1	112.7300	0.000	1	112.7300	0.000	1	112.7300	0.000	1	110.5601	4.959	56	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5a,6]	3:4:3:1:	3:4:4:1:	4:3:3:	C[5a,6]-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:N[5a,6]-3:C[5a]-3:	C[5,6](C[5a,6]N[5a,6]C[5a])(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[5a,6]N[5]H)(C[6]C[6]HH)(H)	C[5a,6](C[5,6]C[5,6]N[5]H)(N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])	C[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(H){1|C<4>,2|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]N[5]H)(C[6]C[6]HH)(H){1|N<3>,3|H<1>,4|C<3>}	C[5a,6](C[5,6]C[5,6]N[5]H)(N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a]){2|C<4>,3|H<1>,6|C<3>}	111.5380	0.000	1	111.5380	0.000	1	111.5380	0.000	1	111.5380	0.000	1	110.5601	4.959	56	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5a,6]	3:4:3:1:	4:4:1:1:	3:4:3:	C[5a,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5a,6]-3:C[5,6]-4:C[5a]-3:	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]HH)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[5,6]C[5]H)(H)2	C[5a,6](C[5a,6]C[5,6]O[5a])(C[5,6]C[5,6]C[5]H)(C[5a]C[5a]H)	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]HH)(C[5]C[5]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[5,6]C[5]H)(H)2{2|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5,6]O[5a])(C[5,6]C[5,6]C[5]H)(C[5a]C[5a]H){2|C<4>,3|C<3>,3|H<1>}	105.8140	0.000	1	105.8140	0.000	1	105.8140	0.000	1	107.5145	1.714	4	110.5601	4.959	56	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5a,6]	3:4:3:1:	4:4:1:1:	3:4:3:	C[5a,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5a,6a]-3:C[5,6]-4:C[5a,6]-3:	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]HH)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]HH)(C[5]C[5]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[5]C[6]H)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6]){1|S<4>,2|C<4>,3|C<3>,5|H<1>}	107.4750	0.000	1	107.4750	0.000	1	107.4750	0.000	1	107.5145	1.714	4	110.5601	4.959	56	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5a,6]	3:4:3:1:	4:4:1:1:	3:4:3:	C[5a,6]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]HH)(N[5]C[5]S)(H)	C[5,6](C[5,6]C[5a,6]N[5]H)(C[5,6]C[5]C[6]H)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]C[5,6]N[5]H)(N[5a]C[5a,6a]C)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]HH)(N[5]C[5]S)(H){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5a,6]N[5]H)(C[5,6]C[5]C[6]H)(H)2{1|C<3>,1|N<3>,1|S<4>,4|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]C[5,6]N[5]H)(N[5a]C[5a,6a]C){1|S<4>,2|C<3>,2|C<4>,4|H<1>}	107.7780	0.000	1	107.7780	0.000	1	107.7780	0.000	1	107.5145	1.714	4	110.5601	4.959	56	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5a,6]	3:4:3:1:	4:4:1:1:	3:4:3:	C[5a,6]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5a,6a]-3:C[5,6]-4:C[5a,6]-3:	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]HH)(N[5]C[5]S)(H)	C[5,6](C[5,6]C[5a,6]N[5]H)(C[5,6]C[5]C[6]H)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[5a,6]S[5a]C[6])	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]HH)(N[5]C[5]S)(H){1|C<4>,1|S<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5a,6]N[5]H)(C[5,6]C[5]C[6]H)(H)2{1|S<4>,2|C<3>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[5a,6]S[5a]C[6]){1|S<4>,2|C<3>,2|C<4>,5|H<1>}	108.9910	0.000	1	108.9910	0.000	1	108.9910	0.000	1	107.5145	1.714	4	110.5601	4.959	56	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5a,6]	3:4:3:1:	4:4:3:1:	3:4:3:	C[5a,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-4:C[5]-3:H-1:	C[5a,6]-3:C[5,6]-4:C[5a]-3:	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[6,6]C[5]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5]N[5]O)(H)	C[5a,6](C[5a,6]C[6,6]S[5a])(C[5,6]C[5,6]C[5]H)(C[5a]C[5a]H)	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[6,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5]N[5]O)(H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5a,6](C[5a,6]C[6,6]S[5a])(C[5,6]C[5,6]C[5]H)(C[5a]C[5a]H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	115.2480	0.000	1	115.2480	0.000	1	115.2480	0.000	1	113.0938	2.588	4	110.5601	4.959	56	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5a,6]	3:4:3:1:	4:4:3:1:	3:4:3:	C[5a,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]C[5,6]C[5]H)(N[5a]C[5a,6a]S)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,1|S<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]C[5,6]C[5]H)(N[5a]C[5a,6a]S){1|C<4>,1|O<1>,2|H<1>,2|N<3>,3|C<3>}	112.4130	0.000	1	112.8285	0.345	2	112.8285	0.345	2	113.0938	2.588	4	110.5601	4.959	56	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5a,6]	3:4:3:1:	4:4:3:1:	3:4:3:	C[5a,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]C[5,6]C[5]H)(N[5a]C[5a,6a]S)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]C[5,6]C[5]H)(N[5a]C[5a,6a]S){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	113.2440	0.000	1	112.8285	0.345	2	112.8285	0.345	2	113.0938	2.588	4	110.5601	4.959	56	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5a,6]	3:4:3:1:	4:4:3:1:	3:4:3:	C[5a,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5a,6a]-3:C[5,6]-4:C[5a,6]-3:	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]C[6]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[5a,6]C[5]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H){1|O<1>,3|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6]){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	111.4700	0.000	1	111.4700	0.000	1	111.4700	0.000	1	113.0938	2.588	4	110.5601	4.959	56	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5a,6]	3:4:3:1:	4:4:3:1:	4:3:2:	C[5a,6]-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[5a,6]-3:N[5a]-2:	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(N[5a]C[5a])	C[5,6](C[5a,6]C[5a,6]N[5a])(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>,2|H<1>}	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(N[5a]C[5a]){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	111.1565	0.378	2	111.1565	0.143	2	111.1565	0.143	2	110.9123	0.250	3	110.5601	4.959	56	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5a,6]	3:4:3:1:	4:4:3:1:	4:3:2:	C[5a,6]-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[5a,6]-3:S[5a]-2:	C[5,6](C[5a,6]C[5a,6]S[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H)	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(S[5a]C[5a])	C[5,6](C[5a,6]C[5a,6]S[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,1|S<2>,4|C<3>}	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(S[5a]C[5a]){1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	110.4240	0.000	1	110.4240	0.000	1	110.4240	0.000	1	110.9123	0.250	3	110.5601	4.959	56	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5a,6]	3:4:3:1:	4:4:3:1:	4:3:3:	C[5a,6]-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[5a,6]-3:C[5a]-3:	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(C[5a]C[5a]H)	C[5,6](C[5a,6]C[5a,6]C[5a])(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[5a,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,1|S<4>,3|H<1>}	113.6650	0.000	1	113.6650	0.000	1	113.6650	0.000	1	110.6662	4.404	5	110.5601	4.959	56	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5a,6]	3:4:3:1:	4:4:3:1:	4:3:3:	C[5a,6]-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[5a,6]-3:N[5a]-3:	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(N[5a]C[5a]C)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>,3|C<4>}	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(N[5a]C[5a]C){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	111.8420	0.000	1	111.8420	0.000	1	109.9165	2.125	4	110.6662	4.404	5	110.5601	4.959	56	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5a,6]	3:4:3:1:	4:4:3:1:	4:3:3:	C[5a,6]-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[5a,6]-3:N[5a]-3:	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(N[5a]C[5a]C)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|N<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(N[5a]C[5a]C){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	108.3200	0.000	1	109.2747	0.716	3	109.9165	2.125	4	110.6662	4.404	5	110.5601	4.959	56	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5a,6]	3:4:3:1:	4:4:3:1:	4:3:3:	C[5a,6]-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[5a,6]-3:N[5a]-3:	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(N[5a]C[5a]C)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|N<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(N[5a]C[5a]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	109.7520	0.255	2	109.2747	0.716	3	109.9165	2.125	4	110.6662	4.404	5	110.5601	4.959	56	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5a,6]	3:4:4:1:	4:3:4:1:	4:3:2:	C[5a,6]-3:C[5,6]-4:C[5,5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[5]-4:H-1:	C[5,6]-4:N[5a,6]-3:N[5a]-2:	C[5,6](C[5a,6]N[5a,6]N[5a])(C[5,6]C[6,6a]C[5]H)(C[5,5]N[5,5]C[5]H)(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[5a,6](C[5,6]C[5,5]C[5,6]H)(N[5a,6]C[6,6a]C[5a])(N[5a]C[5a])	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[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[5a,6](C[5,6]C[5,5]C[5,6]H)(N[5a,6]C[6,6a]C[5a])(N[5a]C[5a]){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	110.0920	0.387	2	110.0920	0.150	2	110.0920	0.150	2	110.0920	0.150	2	110.5601	4.959	56	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5a,6]	3:4:4:1:	4:4:2:1:	4:3:3:	C[5a,6]-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[5a,6]-3:C[5a]-3:	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]H)(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]CH)(O[5]C[5])(H)	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(C[5a]C[5a]H)	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]H)(C[5]C[5]CH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]CH)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	109.1470	0.000	1	109.1470	0.000	1	110.3185	2.745	2	110.3185	2.745	2	110.5601	4.959	56	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5a,6]	3:4:4:1:	4:4:2:1:	4:3:3:	C[5a,6]-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[5a,6]-3:C[5a]-3:	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]H)(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H)	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(C[5a]C[5a]H)	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[6]O[5]H)(C[5]C[5]CH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	111.4900	0.000	1	111.4900	0.000	1	110.3185	2.745	2	110.3185	2.745	2	110.5601	4.959	56	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5a,6]	3:4:4:1:	4:4:3:1:	3:4:3:	C[5a,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5a,6a]-3:C[5,6]-4:C[5a,6]-3:	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]CH)(N[5]C[5]C)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]CH)(N[5]C[5]C)(H){2|C<3>,6|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6]){1|N<3>,2|C<3>,2|C<4>,7|H<1>}	110.6250	0.000	1	110.6250	0.000	1	110.6250	0.000	1	110.6250	0.000	1	110.5601	4.959	56	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5a,6]	3:4:4:1:	4:4:3:1:	4:3:3:	C[5a,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:N[5a]-3:H-1:	C[5,6]-4:N[5a,6]-3:C[5a]-3:	C[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]N[5a]H)(C[5]O[5]CC)(H)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[6]O[5]H)(N[5a]C[5a]2)(H)	C[5a,6](C[5,6]C[5,6]C[5]H)(N[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]N[5a]H)(C[5]O[5]CC)(H){1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[6]O[5]H)(N[5a]C[5a]2)(H){1|H<1>,1|N<3>,3|C<4>,5|C<3>}	C[5a,6](C[5,6]C[5,6]C[5]H)(N[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,5|C<4>}	105.9920	0.000	1	105.9920	0.000	1	106.3530	0.261	2	106.3530	0.261	2	110.5601	4.959	56	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5a,6]	3:4:4:1:	4:4:3:1:	4:3:3:	C[5a,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:N[5a]-3:H-1:	C[5,6]-4:N[5a,6]-3:C[5a]-3:	C[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]N[5a]H)(C[5]O[5]CO)(H)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[6]O[5]C)(N[5a]C[5a]2)(H)	C[5a,6](C[5,6]C[5,6]C[5]H)(N[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]N[5a]H)(C[5]O[5]CO)(H){1|C<4>,1|H<1>,5|C<3>}	C[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[6]O[5]C)(N[5a]C[5a]2)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>,5|C<3>}	C[5a,6](C[5,6]C[5,6]C[5]H)(N[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|N<3>,2|O<2>,3|C<4>,3|H<1>}	106.7140	0.000	1	106.7140	0.000	1	106.3530	0.261	2	106.3530	0.261	2	110.5601	4.959	56	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5a,6]	3:4:4:1:	4:4:4:1:	3:3:4:	C[5a,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5a,6a]-3:C[5a,6]-3:C[5,6]-4:	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[5,6]CH)(C[5]C[5]HH)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[5,6]C[5,6]C[5]H)	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[5,6]CH)(C[5]C[5]HH)(H){4|C<3>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[5,6]C[5,6]C[5]H){4|C<3>,4|C<4>,4|H<1>}	112.3880	0.000	1	112.3880	0.000	1	112.3880	0.000	1	112.3880	0.000	1	110.5601	4.959	56	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5a,6]	3:4:4:1:	4:4:4:2:	4:3:3:	C[5a,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C-4:O-2:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]CO)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[5]C[6]H)(CH3)(OC)	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(C[5a]C[5a]H)	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]CO)(C[5]C[5]HH)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[5]C[6]H)(CH3)(OC){1|O<1>,3|C<3>,4|H<1>}	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|O<1>,1|O<2>,1|S<4>,3|C<4>,3|H<1>}	108.0610	0.000	1	108.0610	0.000	1	108.0610	0.000	1	108.0610	0.000	1	110.5601	4.959	56	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5a,6]	3:4:4:3:	4:4:3:1:	4:3:2:	C[5a,6]-3:C[5,6]-4:C[5]-4:C[5]-3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5a,6]-3:N[5a]-2:	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]C[5]2H)(C[5]N[5]O)	C[5,6](C[5,6]C[5a,6]C[5]2)(C[6]C[6]CH)(C[5]N[5]O)(H)	C[5a,6](C[5,6]C[5,6]C[5]2)(C[5a,6]N[5a]C[6])(N[5a]C[5a])	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]C[5]2H)(C[5]N[5]O){2|C<4>,2|N<3>,2|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5a,6]C[5]2)(C[6]C[6]CH)(C[5]N[5]O)(H){1|C<4>,1|N<2>,1|O<1>,3|C<3>,3|H<1>}	C[5a,6](C[5,6]C[5,6]C[5]2)(C[5a,6]N[5a]C[6])(N[5a]C[5a]){1|N<3>,1|O<1>,2|C<3>,3|C<4>,5|H<1>}	110.0200	0.000	1	110.0200	0.000	1	110.0200	0.000	1	110.0200	0.000	1	110.5601	4.959	56	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5a,6]	3:4:4:4:	4:3:3:1:	3:4:3:	C[5a,6]-3:C[5,6]-4:S[5]-4:C-4:	C[5,6]-4:C[5,6]-3:C[5]-3:H-1:	C[5a,6]-3:C[5,6]-4:C[5a]-3:	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)(S[5]C[5]OO)(CH3)	C[5,6](C[5,6]C[5a,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]H)(H)	C[5a,6](C[5a,6]C[5,6]C[5a])(C[5,6]C[5,6]S[5]C)(C[5a]S[5a]C)	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)(S[5]C[5]OO)(CH3){1|H<1>,1|S<2>,2|C<3>,3|C<4>}	C[5,6](C[5,6]C[5a,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]H)(H){2|C<3>,2|F<1>,2|O<1>,3|C<4>}	C[5a,6](C[5a,6]C[5,6]C[5a])(C[5,6]C[5,6]S[5]C)(C[5a]S[5a]C){1|H<1>,2|C<4>,2|O<1>,3|C<3>}	108.0340	0.000	1	108.0340	0.000	1	108.0340	0.000	1	108.0340	0.000	1	110.5601	4.959	56	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5a,6]	3:4:4:4:	4:4:4:1:	4:3:2:	C[5a,6]-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:N[5a,6]-3:N[5a]-2:	C[5,6](C[5a,6]N[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	C[5,6](C[5,6]C[5a,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5a,6](C[5,6]C[5,6]C[5]C)(N[5a,6]C[5a]C[6])(N[5a]C[5a])	C[5,6](C[5a,6]N[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){1|C<4>,2|C<3>,6|H<1>}	C[5,6](C[5,6]C[5a,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|N<2>,1|N<3>,6|H<1>}	C[5a,6](C[5,6]C[5,6]C[5]C)(N[5a,6]C[5a]C[6])(N[5a]C[5a]){2|C<3>,3|C<4>,5|H<1>}	109.4870	0.583	2	109.4870	0.339	2	109.4870	0.339	2	109.4870	0.339	2	110.5601	4.959	56	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5a,6]	4:3:3:1:	3:3:4:4:	3:4:3:	C[5,6]-4:C[5a,6]-3:N[5]-3:H-1:	C[5,6a]-3:C[5a,6]-3:C[5,6]-4:C-4:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5,6](C[5,6]C[5,6a]C[5a,6]C)(C[5a,6]C[5a,6]N[5a])(N[5]C[5,6a]C)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5,6]C[5a,6]N[5]H)(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]N[5]H)(N[5a]C[5a,6a]H)	C[5,6](C[5,6]C[5,6a]C[5a,6]C)(C[5a,6]C[5a,6]N[5a])(N[5]C[5,6a]C)(H){1|H<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5,6]C[5a,6]N[5]H)(CH3){1|C<4>,2|H<1>,2|N<3>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]N[5]H)(N[5a]C[5a,6a]H){2|C<4>,6|C<3>}	113.0140	0.000	1	113.0140	0.000	1	113.0140	0.000	1	113.0140	0.000	1	110.5601	4.959	56	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5a,6]	4:3:3:1:	3:4:3:4:	3:4:3:	C[5,6]-4:C[5a,6]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:C-4:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[5a,6]C[5a,6]N[5a])(N[5]C[5,6a]C)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]N[5]H)(C[5,6]C[5,6]C[5])(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[5,6])(C[5,6]C[5,6]N[5]H)(N[5a]C[5a,6a]H)	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[5a,6]C[5a,6]N[5a])(N[5]C[5,6a]C)(H){1|C<4>,1|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]N[5]H)(C[5,6]C[5,6]C[5])(CH3){1|C<4>,1|O<2>,2|H<1>,2|N<3>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[5,6])(C[5,6]C[5,6]N[5]H)(N[5a]C[5a,6a]H){2|C<4>,6|C<3>}	112.7060	0.000	1	112.7060	0.000	1	112.7060	0.000	1	112.7060	0.000	1	110.5601	4.959	56	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5a,6]	4:3:4:1:	3:3:4:1:	3:3:4:	C[5,6]-4:C[5a,6]-3:C[5]-4:H-1:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:H-1:	N[5a,6]-3:C[5a]-3:C[5,6]-4:	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[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[5a,6](N[5a,6]C[5a,6a]C[6,6a])(C[5a]C[5a,6a]C[6a])(C[5,6]C[5,6]C[5]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){7|C<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){1|N<3>,4|H<1>,5|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(C[5a]C[5a,6a]C[6a])(C[5,6]C[5,6]C[5]H){3|H<1>,8|C<3>}	112.6230	0.000	1	112.6230	0.000	1	112.6230	0.000	1	112.6230	0.000	1	110.5601	4.959	56	109.6444	15.314	688
474	474	727	6:SP3_SP2_SP3	C[5,6]	C[5,6]	C[5a,6]	4:3:4:1:	4:3:4:2:	4:3:3:	C[5,6]-4:C[5a,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:O[6]-2:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	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[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[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]O[5a]C[6])(C[5a]C[5a]H)	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[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[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]O[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|C<4>,1|O<2>,1|S<2>,5|H<1>}	108.0430	0.000	1	108.0430	0.000	1	108.0430	0.000	1	108.0430	0.000	1	110.5601	4.959	56	109.6444	15.314	688